diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO000001.txt b/Keio_Univ/MSBNK-Keio_Univ-KO000001.txt index c8613c778b4..8eae9057e8e 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO000001.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO000001.txt @@ -20,7 +20,7 @@ CH$LINK: CAS 56-12-2 CH$LINK: CHEBI CHEBI:30566 CH$LINK: KEGG C00334 CH$LINK: NIKKAJI J1.375G -CH$LINK: PUBCHEM SID:3628 +CH$LINK: PUBCHEM CID:119 CH$LINK: INCHIKEY BTCSSZJGUNDROE-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID6035106 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO000002.txt b/Keio_Univ/MSBNK-Keio_Univ-KO000002.txt index 5ae2f5071dd..5d14018b983 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO000002.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO000002.txt @@ -20,7 +20,7 @@ CH$LINK: CAS 56-12-2 CH$LINK: CHEBI CHEBI:30566 CH$LINK: KEGG C00334 CH$LINK: NIKKAJI J1.375G -CH$LINK: PUBCHEM SID:3628 +CH$LINK: PUBCHEM CID:119 CH$LINK: INCHIKEY BTCSSZJGUNDROE-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID6035106 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO000003.txt b/Keio_Univ/MSBNK-Keio_Univ-KO000003.txt index 7cb6d7de876..c11aa89af27 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO000003.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO000003.txt @@ -20,7 +20,7 @@ CH$LINK: CAS 56-12-2 CH$LINK: CHEBI CHEBI:30566 CH$LINK: KEGG C00334 CH$LINK: NIKKAJI J1.375G -CH$LINK: PUBCHEM SID:3628 +CH$LINK: PUBCHEM CID:119 CH$LINK: INCHIKEY BTCSSZJGUNDROE-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID6035106 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO000014.txt b/Keio_Univ/MSBNK-Keio_Univ-KO000014.txt index 90f92aa30ab..1f84155e8b0 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO000014.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO000014.txt @@ -19,7 +19,7 @@ CH$LINK: CHEBI CHEBI:30754 CH$LINK: CHEMPDB BE2 CH$LINK: KEGG C00108 CH$LINK: NIKKAJI J2.912B -CH$LINK: PUBCHEM SID:3408 +CH$LINK: PUBCHEM CID:227 CH$LINK: INCHIKEY RWZYAGGXGHYGMB-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID8020094 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO000015.txt b/Keio_Univ/MSBNK-Keio_Univ-KO000015.txt index b13b1874bf5..6c836a4c4de 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO000015.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO000015.txt @@ -19,7 +19,7 @@ CH$LINK: CHEBI CHEBI:30754 CH$LINK: CHEMPDB BE2 CH$LINK: KEGG C00108 CH$LINK: NIKKAJI J2.912B -CH$LINK: PUBCHEM SID:3408 +CH$LINK: PUBCHEM CID:227 CH$LINK: INCHIKEY RWZYAGGXGHYGMB-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID8020094 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO000016.txt b/Keio_Univ/MSBNK-Keio_Univ-KO000016.txt index 9d08f9a52e1..d1b980d5442 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO000016.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO000016.txt @@ -19,7 +19,7 @@ CH$LINK: CHEBI CHEBI:30754 CH$LINK: CHEMPDB BE2 CH$LINK: KEGG C00108 CH$LINK: NIKKAJI J2.912B -CH$LINK: PUBCHEM SID:3408 +CH$LINK: PUBCHEM CID:227 CH$LINK: INCHIKEY RWZYAGGXGHYGMB-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID8020094 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO000017.txt b/Keio_Univ/MSBNK-Keio_Univ-KO000017.txt index a8cc694f6e9..94d00c0fd91 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO000017.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO000017.txt @@ -19,7 +19,7 @@ CH$LINK: CHEBI CHEBI:30754 CH$LINK: CHEMPDB BE2 CH$LINK: KEGG C00108 CH$LINK: NIKKAJI J2.912B -CH$LINK: PUBCHEM SID:3408 +CH$LINK: PUBCHEM CID:227 CH$LINK: INCHIKEY RWZYAGGXGHYGMB-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID8020094 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO000018.txt b/Keio_Univ/MSBNK-Keio_Univ-KO000018.txt index 8de7d05b23b..de59ff7bcb1 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO000018.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO000018.txt @@ -19,7 +19,7 @@ CH$LINK: CHEBI CHEBI:30754 CH$LINK: CHEMPDB BE2 CH$LINK: KEGG C00108 CH$LINK: NIKKAJI J2.912B -CH$LINK: PUBCHEM SID:3408 +CH$LINK: PUBCHEM CID:227 CH$LINK: INCHIKEY RWZYAGGXGHYGMB-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID8020094 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO000019.txt b/Keio_Univ/MSBNK-Keio_Univ-KO000019.txt index 43daf4b8c40..eee00c0f323 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO000019.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO000019.txt @@ -17,7 +17,7 @@ CH$LINK: CHEBI CHEBI:15570 CH$LINK: CHEMPDB DAL CH$LINK: KEGG C00133 CH$LINK: NIKKAJI J9.190A -CH$LINK: PUBCHEM SID:3433 +CH$LINK: PUBCHEM CID:71080 CH$LINK: INCHIKEY QNAYBMKLOCPYGJ-UWTATZPHSA-N CH$LINK: COMPTOX DTXSID3045649 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO000020.txt b/Keio_Univ/MSBNK-Keio_Univ-KO000020.txt index 597967801cd..0a160910927 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO000020.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO000020.txt @@ -17,7 +17,7 @@ CH$LINK: CHEBI CHEBI:15570 CH$LINK: CHEMPDB DAL CH$LINK: KEGG C00133 CH$LINK: NIKKAJI J9.190A -CH$LINK: PUBCHEM SID:3433 +CH$LINK: PUBCHEM CID:71080 CH$LINK: INCHIKEY QNAYBMKLOCPYGJ-UWTATZPHSA-N CH$LINK: COMPTOX DTXSID3045649 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO000021.txt b/Keio_Univ/MSBNK-Keio_Univ-KO000021.txt index 93f66517fec..e5ac38dd98a 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO000021.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO000021.txt @@ -18,7 +18,7 @@ CH$LINK: CHEBI CHEBI:16977 CH$LINK: CHEMPDB ALA CH$LINK: KEGG C00041 CH$LINK: NIKKAJI J9.168E -CH$LINK: PUBCHEM SID:3343 +CH$LINK: PUBCHEM CID:5950 CH$LINK: INCHIKEY QNAYBMKLOCPYGJ-REOHCLBHSA-N CH$LINK: COMPTOX DTXSID20873899 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO000022.txt b/Keio_Univ/MSBNK-Keio_Univ-KO000022.txt index af24bbaf880..6b86b962338 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO000022.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO000022.txt @@ -18,7 +18,7 @@ CH$LINK: CHEBI CHEBI:16977 CH$LINK: CHEMPDB ALA CH$LINK: KEGG C00041 CH$LINK: NIKKAJI J9.168E -CH$LINK: PUBCHEM SID:3343 +CH$LINK: PUBCHEM CID:5950 CH$LINK: INCHIKEY QNAYBMKLOCPYGJ-REOHCLBHSA-N CH$LINK: COMPTOX DTXSID20873899 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO000023.txt b/Keio_Univ/MSBNK-Keio_Univ-KO000023.txt index 4c1e4879953..dfef6b0e793 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO000023.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO000023.txt @@ -18,7 +18,7 @@ CH$LINK: CHEBI CHEBI:16977 CH$LINK: CHEMPDB ALA CH$LINK: KEGG C00041 CH$LINK: NIKKAJI J9.168E -CH$LINK: PUBCHEM SID:3343 +CH$LINK: PUBCHEM CID:5950 CH$LINK: INCHIKEY QNAYBMKLOCPYGJ-REOHCLBHSA-N CH$LINK: COMPTOX DTXSID20873899 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO000024.txt b/Keio_Univ/MSBNK-Keio_Univ-KO000024.txt index a029580156e..59acbd5c3a8 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO000024.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO000024.txt @@ -17,7 +17,7 @@ CH$LINK: CHEBI CHEBI:17196 CH$LINK: CHEMPDB ASN CH$LINK: KEGG C00152 CH$LINK: NIKKAJI J9.178B -CH$LINK: PUBCHEM SID:3452 +CH$LINK: PUBCHEM CID:6267 CH$LINK: INCHIKEY DCXYFEDJOCDNAF-REOHCLBHSA-N CH$LINK: COMPTOX DTXSID10883220 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO000025.txt b/Keio_Univ/MSBNK-Keio_Univ-KO000025.txt index b7236c8c0bb..8e5f27699bf 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO000025.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO000025.txt @@ -17,7 +17,7 @@ CH$LINK: CHEBI CHEBI:17196 CH$LINK: CHEMPDB ASN CH$LINK: KEGG C00152 CH$LINK: NIKKAJI J9.178B -CH$LINK: PUBCHEM SID:3452 +CH$LINK: PUBCHEM CID:6267 CH$LINK: INCHIKEY DCXYFEDJOCDNAF-REOHCLBHSA-N CH$LINK: COMPTOX DTXSID10883220 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO000026.txt b/Keio_Univ/MSBNK-Keio_Univ-KO000026.txt index c1753b08c74..66509057297 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO000026.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO000026.txt @@ -17,7 +17,7 @@ CH$LINK: CHEBI CHEBI:17196 CH$LINK: CHEMPDB ASN CH$LINK: KEGG C00152 CH$LINK: NIKKAJI J9.178B -CH$LINK: PUBCHEM SID:3452 +CH$LINK: PUBCHEM CID:6267 CH$LINK: INCHIKEY DCXYFEDJOCDNAF-REOHCLBHSA-N CH$LINK: COMPTOX DTXSID10883220 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO000027.txt b/Keio_Univ/MSBNK-Keio_Univ-KO000027.txt index e471270e47b..5b81398bc3f 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO000027.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO000027.txt @@ -17,7 +17,7 @@ CH$LINK: CHEBI CHEBI:17196 CH$LINK: CHEMPDB ASN CH$LINK: KEGG C00152 CH$LINK: NIKKAJI J9.178B -CH$LINK: PUBCHEM SID:3452 +CH$LINK: PUBCHEM CID:6267 CH$LINK: INCHIKEY DCXYFEDJOCDNAF-REOHCLBHSA-N CH$LINK: COMPTOX DTXSID10883220 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO000028.txt b/Keio_Univ/MSBNK-Keio_Univ-KO000028.txt index 680b1b29fe2..6d68739dda4 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO000028.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO000028.txt @@ -17,7 +17,7 @@ CH$LINK: CHEBI CHEBI:17196 CH$LINK: CHEMPDB ASN CH$LINK: KEGG C00152 CH$LINK: NIKKAJI J9.178B -CH$LINK: PUBCHEM SID:3452 +CH$LINK: PUBCHEM CID:6267 CH$LINK: INCHIKEY DCXYFEDJOCDNAF-REOHCLBHSA-N CH$LINK: COMPTOX DTXSID10883220 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO000029.txt b/Keio_Univ/MSBNK-Keio_Univ-KO000029.txt index 8b5ed9f0661..c81e99d690e 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO000029.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO000029.txt @@ -18,7 +18,7 @@ CH$LINK: CHEBI CHEBI:17053 CH$LINK: CHEMPDB ASP CH$LINK: KEGG C00049 CH$LINK: NIKKAJI J9.169C -CH$LINK: PUBCHEM SID:3351 +CH$LINK: PUBCHEM CID:5960 CH$LINK: INCHIKEY CKLJMWTZIZZHCS-REOHCLBHSA-N CH$LINK: COMPTOX DTXSID7022621 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO000030.txt b/Keio_Univ/MSBNK-Keio_Univ-KO000030.txt index 3de5da531bc..73e1c3cf936 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO000030.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO000030.txt @@ -18,7 +18,7 @@ CH$LINK: CHEBI CHEBI:17053 CH$LINK: CHEMPDB ASP CH$LINK: KEGG C00049 CH$LINK: NIKKAJI J9.169C -CH$LINK: PUBCHEM SID:3351 +CH$LINK: PUBCHEM CID:5960 CH$LINK: INCHIKEY CKLJMWTZIZZHCS-REOHCLBHSA-N CH$LINK: COMPTOX DTXSID7022621 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO000031.txt b/Keio_Univ/MSBNK-Keio_Univ-KO000031.txt index ba5b35a0a6e..d703a91cfad 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO000031.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO000031.txt @@ -18,7 +18,7 @@ CH$LINK: CHEBI CHEBI:17053 CH$LINK: CHEMPDB ASP CH$LINK: KEGG C00049 CH$LINK: NIKKAJI J9.169C -CH$LINK: PUBCHEM SID:3351 +CH$LINK: PUBCHEM CID:5960 CH$LINK: INCHIKEY CKLJMWTZIZZHCS-REOHCLBHSA-N CH$LINK: COMPTOX DTXSID7022621 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO000032.txt b/Keio_Univ/MSBNK-Keio_Univ-KO000032.txt index 76d15c4111e..0ae86bf0d2f 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO000032.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO000032.txt @@ -18,7 +18,7 @@ CH$LINK: CHEBI CHEBI:17053 CH$LINK: CHEMPDB ASP CH$LINK: KEGG C00049 CH$LINK: NIKKAJI J9.169C -CH$LINK: PUBCHEM SID:3351 +CH$LINK: PUBCHEM CID:5960 CH$LINK: INCHIKEY CKLJMWTZIZZHCS-REOHCLBHSA-N CH$LINK: COMPTOX DTXSID7022621 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO000033.txt b/Keio_Univ/MSBNK-Keio_Univ-KO000033.txt index 9ad46c62238..f82035dd152 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO000033.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO000033.txt @@ -18,7 +18,7 @@ CH$LINK: CHEBI CHEBI:17053 CH$LINK: CHEMPDB ASP CH$LINK: KEGG C00049 CH$LINK: NIKKAJI J9.169C -CH$LINK: PUBCHEM SID:3351 +CH$LINK: PUBCHEM CID:5960 CH$LINK: INCHIKEY CKLJMWTZIZZHCS-REOHCLBHSA-N CH$LINK: COMPTOX DTXSID7022621 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO000034.txt b/Keio_Univ/MSBNK-Keio_Univ-KO000034.txt index 4c5e736f7dc..a222a611b93 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO000034.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO000034.txt @@ -17,7 +17,7 @@ CH$LINK: CAS 131-48-6 CH$LINK: CHEBI CHEBI:17012 CH$LINK: KEGG C00270 CH$LINK: NIKKAJI J10.009I -CH$LINK: PUBCHEM SID:3568 +CH$LINK: PUBCHEM CID:439197 CH$LINK: INCHIKEY SQVRNKJHWKZAKO-LUWBGTNYSA-N AC$INSTRUMENT: API3000, Applied Biosystems AC$INSTRUMENT_TYPE: LC-ESI-QQ diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO000035.txt b/Keio_Univ/MSBNK-Keio_Univ-KO000035.txt index d5b426875e3..92d9544cbe4 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO000035.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO000035.txt @@ -17,7 +17,7 @@ CH$LINK: CAS 131-48-6 CH$LINK: CHEBI CHEBI:17012 CH$LINK: KEGG C00270 CH$LINK: NIKKAJI J10.009I -CH$LINK: PUBCHEM SID:3568 +CH$LINK: PUBCHEM CID:439197 CH$LINK: INCHIKEY SQVRNKJHWKZAKO-LUWBGTNYSA-N AC$INSTRUMENT: API3000, Applied Biosystems AC$INSTRUMENT_TYPE: LC-ESI-QQ diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO000036.txt b/Keio_Univ/MSBNK-Keio_Univ-KO000036.txt index abeec7edff7..15b0b81b99f 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO000036.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO000036.txt @@ -17,7 +17,7 @@ CH$LINK: CAS 131-48-6 CH$LINK: CHEBI CHEBI:17012 CH$LINK: KEGG C00270 CH$LINK: NIKKAJI J10.009I -CH$LINK: PUBCHEM SID:3568 +CH$LINK: PUBCHEM CID:439197 CH$LINK: INCHIKEY SQVRNKJHWKZAKO-LUWBGTNYSA-N AC$INSTRUMENT: API3000, Applied Biosystems AC$INSTRUMENT_TYPE: LC-ESI-QQ diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO000037.txt b/Keio_Univ/MSBNK-Keio_Univ-KO000037.txt index 0e4bc88924b..f7ebd10cd4c 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO000037.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO000037.txt @@ -17,7 +17,7 @@ CH$LINK: CAS 131-48-6 CH$LINK: CHEBI CHEBI:17012 CH$LINK: KEGG C00270 CH$LINK: NIKKAJI J10.009I -CH$LINK: PUBCHEM SID:3568 +CH$LINK: PUBCHEM CID:439197 CH$LINK: INCHIKEY SQVRNKJHWKZAKO-LUWBGTNYSA-N AC$INSTRUMENT: API3000, Applied Biosystems AC$INSTRUMENT_TYPE: LC-ESI-QQ diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO000038.txt b/Keio_Univ/MSBNK-Keio_Univ-KO000038.txt index 15806ac6813..c53933e1b20 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO000038.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO000038.txt @@ -17,7 +17,7 @@ CH$LINK: CAS 131-48-6 CH$LINK: CHEBI CHEBI:17012 CH$LINK: KEGG C00270 CH$LINK: NIKKAJI J10.009I -CH$LINK: PUBCHEM SID:3568 +CH$LINK: PUBCHEM CID:439197 CH$LINK: INCHIKEY SQVRNKJHWKZAKO-LUWBGTNYSA-N AC$INSTRUMENT: API3000, Applied Biosystems AC$INSTRUMENT_TYPE: LC-ESI-QQ diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO000039.txt b/Keio_Univ/MSBNK-Keio_Univ-KO000039.txt index cead25bb9f6..5280e21b17b 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO000039.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO000039.txt @@ -18,7 +18,7 @@ CH$LINK: CHEBI CHEBI:16958 CH$LINK: CHEMPDB BAL CH$LINK: KEGG C00099 CH$LINK: NIKKAJI J4.070C -CH$LINK: PUBCHEM SID:3399 +CH$LINK: PUBCHEM CID:239 CH$LINK: INCHIKEY UCMIRNVEIXFBKS-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID0030823 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO000040.txt b/Keio_Univ/MSBNK-Keio_Univ-KO000040.txt index 7aced1ad2b8..06b0f6f7980 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO000040.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO000040.txt @@ -18,7 +18,7 @@ CH$LINK: CHEBI CHEBI:16958 CH$LINK: CHEMPDB BAL CH$LINK: KEGG C00099 CH$LINK: NIKKAJI J4.070C -CH$LINK: PUBCHEM SID:3399 +CH$LINK: PUBCHEM CID:239 CH$LINK: INCHIKEY UCMIRNVEIXFBKS-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID0030823 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO000041.txt b/Keio_Univ/MSBNK-Keio_Univ-KO000041.txt index 7fb4a46d176..aadb1a4a2d8 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO000041.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO000041.txt @@ -18,7 +18,7 @@ CH$LINK: CHEBI CHEBI:16958 CH$LINK: CHEMPDB BAL CH$LINK: KEGG C00099 CH$LINK: NIKKAJI J4.070C -CH$LINK: PUBCHEM SID:3399 +CH$LINK: PUBCHEM CID:239 CH$LINK: INCHIKEY UCMIRNVEIXFBKS-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID0030823 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO000042.txt b/Keio_Univ/MSBNK-Keio_Univ-KO000042.txt index 8104ce7a75e..09c073bc2f6 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO000042.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO000042.txt @@ -18,7 +18,7 @@ CH$LINK: CHEBI CHEBI:30089 CH$LINK: CHEMPDB ACT CH$LINK: KEGG C00033 CH$LINK: NIKKAJI J2.355H -CH$LINK: PUBCHEM SID:3335 +CH$LINK: PUBCHEM CID:176 CH$LINK: INCHIKEY QTBSBXVTEAMEQO-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID5024394 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO000043.txt b/Keio_Univ/MSBNK-Keio_Univ-KO000043.txt index ae371c328b4..e3180f936c5 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO000043.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO000043.txt @@ -18,7 +18,7 @@ CH$LINK: CHEBI CHEBI:30089 CH$LINK: CHEMPDB ACT CH$LINK: KEGG C00033 CH$LINK: NIKKAJI J2.355H -CH$LINK: PUBCHEM SID:3335 +CH$LINK: PUBCHEM CID:176 CH$LINK: INCHIKEY QTBSBXVTEAMEQO-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID5024394 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO000044.txt b/Keio_Univ/MSBNK-Keio_Univ-KO000044.txt index 1189cca452d..e14662967fd 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO000044.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO000044.txt @@ -18,7 +18,7 @@ CH$LINK: CHEBI CHEBI:30089 CH$LINK: CHEMPDB ACT CH$LINK: KEGG C00033 CH$LINK: NIKKAJI J2.355H -CH$LINK: PUBCHEM SID:3335 +CH$LINK: PUBCHEM CID:176 CH$LINK: INCHIKEY QTBSBXVTEAMEQO-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID5024394 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO000045.txt b/Keio_Univ/MSBNK-Keio_Univ-KO000045.txt index 20684f93222..5e043f46048 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO000045.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO000045.txt @@ -18,7 +18,7 @@ CH$LINK: CHEBI CHEBI:30089 CH$LINK: CHEMPDB ACT CH$LINK: KEGG C00033 CH$LINK: NIKKAJI J2.355H -CH$LINK: PUBCHEM SID:3335 +CH$LINK: PUBCHEM CID:176 CH$LINK: INCHIKEY QTBSBXVTEAMEQO-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID5024394 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO000046.txt b/Keio_Univ/MSBNK-Keio_Univ-KO000046.txt index f73b92e08e5..672eb75caf7 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO000046.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO000046.txt @@ -18,7 +18,7 @@ CH$LINK: CHEBI CHEBI:30089 CH$LINK: CHEMPDB ACT CH$LINK: KEGG C00033 CH$LINK: NIKKAJI J2.355H -CH$LINK: PUBCHEM SID:3335 +CH$LINK: PUBCHEM CID:176 CH$LINK: INCHIKEY QTBSBXVTEAMEQO-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID5024394 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO000047.txt b/Keio_Univ/MSBNK-Keio_Univ-KO000047.txt index 5e16f9567b4..25bd49f3991 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO000047.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO000047.txt @@ -15,7 +15,7 @@ CH$LINK: CAS 585-84-2 CH$LINK: CHEBI CHEBI:32805 CH$LINK: KEGG C00417 CH$LINK: NIKKAJI J37.488A -CH$LINK: PUBCHEM SID:3707 +CH$LINK: PUBCHEM CID:643757 CH$LINK: INCHIKEY GTZCVFVGUGFEME-IWQZZHSRSA-N CH$LINK: COMPTOX DTXSID30883449 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO000048.txt b/Keio_Univ/MSBNK-Keio_Univ-KO000048.txt index d4875dde0c6..a3d51c1c784 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO000048.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO000048.txt @@ -15,7 +15,7 @@ CH$LINK: CAS 585-84-2 CH$LINK: CHEBI CHEBI:32805 CH$LINK: KEGG C00417 CH$LINK: NIKKAJI J37.488A -CH$LINK: PUBCHEM SID:3707 +CH$LINK: PUBCHEM CID:643757 CH$LINK: INCHIKEY GTZCVFVGUGFEME-IWQZZHSRSA-N CH$LINK: COMPTOX DTXSID30883449 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO000049.txt b/Keio_Univ/MSBNK-Keio_Univ-KO000049.txt index 3562550eab7..747d0c6a203 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO000049.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO000049.txt @@ -15,7 +15,7 @@ CH$LINK: CAS 585-84-2 CH$LINK: CHEBI CHEBI:32805 CH$LINK: KEGG C00417 CH$LINK: NIKKAJI J37.488A -CH$LINK: PUBCHEM SID:3707 +CH$LINK: PUBCHEM CID:643757 CH$LINK: INCHIKEY GTZCVFVGUGFEME-IWQZZHSRSA-N CH$LINK: COMPTOX DTXSID30883449 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO000050.txt b/Keio_Univ/MSBNK-Keio_Univ-KO000050.txt index a9a4f72edde..8dfab74c1fb 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO000050.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO000050.txt @@ -15,7 +15,7 @@ CH$LINK: CAS 585-84-2 CH$LINK: CHEBI CHEBI:32805 CH$LINK: KEGG C00417 CH$LINK: NIKKAJI J37.488A -CH$LINK: PUBCHEM SID:3707 +CH$LINK: PUBCHEM CID:643757 CH$LINK: INCHIKEY GTZCVFVGUGFEME-IWQZZHSRSA-N CH$LINK: COMPTOX DTXSID30883449 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO000051.txt b/Keio_Univ/MSBNK-Keio_Univ-KO000051.txt index 59e654bc108..f57b127392b 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO000051.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO000051.txt @@ -15,7 +15,7 @@ CH$LINK: CAS 585-84-2 CH$LINK: CHEBI CHEBI:32805 CH$LINK: KEGG C00417 CH$LINK: NIKKAJI J37.488A -CH$LINK: PUBCHEM SID:3707 +CH$LINK: PUBCHEM CID:643757 CH$LINK: INCHIKEY GTZCVFVGUGFEME-IWQZZHSRSA-N CH$LINK: COMPTOX DTXSID30883449 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO000052.txt b/Keio_Univ/MSBNK-Keio_Univ-KO000052.txt index f510150a6e2..e3f92b33fe1 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO000052.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO000052.txt @@ -17,7 +17,7 @@ CH$LINK: CHEBI CHEBI:17533 CH$LINK: CHEMPDB NLG CH$LINK: KEGG C00624 CH$LINK: NIKKAJI J37.497K -CH$LINK: PUBCHEM SID:3897 +CH$LINK: PUBCHEM CID:70914 CH$LINK: INCHIKEY RFMMMVDNIPUKGG-YFKPBYRVSA-N CH$LINK: COMPTOX DTXSID3046534 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO000053.txt b/Keio_Univ/MSBNK-Keio_Univ-KO000053.txt index f2b28f01ffc..2632cb390b3 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO000053.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO000053.txt @@ -17,7 +17,7 @@ CH$LINK: CHEBI CHEBI:17533 CH$LINK: CHEMPDB NLG CH$LINK: KEGG C00624 CH$LINK: NIKKAJI J37.497K -CH$LINK: PUBCHEM SID:3897 +CH$LINK: PUBCHEM CID:70914 CH$LINK: INCHIKEY RFMMMVDNIPUKGG-YFKPBYRVSA-N CH$LINK: COMPTOX DTXSID3046534 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO000054.txt b/Keio_Univ/MSBNK-Keio_Univ-KO000054.txt index c71181e3454..cceb861e62a 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO000054.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO000054.txt @@ -17,7 +17,7 @@ CH$LINK: CHEBI CHEBI:17533 CH$LINK: CHEMPDB NLG CH$LINK: KEGG C00624 CH$LINK: NIKKAJI J37.497K -CH$LINK: PUBCHEM SID:3897 +CH$LINK: PUBCHEM CID:70914 CH$LINK: INCHIKEY RFMMMVDNIPUKGG-YFKPBYRVSA-N CH$LINK: COMPTOX DTXSID3046534 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO000055.txt b/Keio_Univ/MSBNK-Keio_Univ-KO000055.txt index 85dbe0e7541..10d2696d2ee 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO000055.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO000055.txt @@ -17,7 +17,7 @@ CH$LINK: CHEBI CHEBI:17533 CH$LINK: CHEMPDB NLG CH$LINK: KEGG C00624 CH$LINK: NIKKAJI J37.497K -CH$LINK: PUBCHEM SID:3897 +CH$LINK: PUBCHEM CID:70914 CH$LINK: INCHIKEY RFMMMVDNIPUKGG-YFKPBYRVSA-N CH$LINK: COMPTOX DTXSID3046534 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO000056.txt b/Keio_Univ/MSBNK-Keio_Univ-KO000056.txt index b0cda74e186..a7fced4d625 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO000056.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO000056.txt @@ -17,7 +17,7 @@ CH$LINK: CHEBI CHEBI:17533 CH$LINK: CHEMPDB NLG CH$LINK: KEGG C00624 CH$LINK: NIKKAJI J37.497K -CH$LINK: PUBCHEM SID:3897 +CH$LINK: PUBCHEM CID:70914 CH$LINK: INCHIKEY RFMMMVDNIPUKGG-YFKPBYRVSA-N CH$LINK: COMPTOX DTXSID3046534 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO000057.txt b/Keio_Univ/MSBNK-Keio_Univ-KO000057.txt index 29b34c4b02d..f0250ba6297 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO000057.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO000057.txt @@ -14,7 +14,7 @@ CH$SMILES: NCCCC(NC(C)=O)C(O)=O CH$IUPAC: InChI=1S/C7H14N2O3/c1-5(10)9-6(7(11)12)3-2-4-8/h6H,2-4,8H2,1H3,(H,9,10)(H,11,12)/t6-/m0/s1 CH$LINK: CHEBI CHEBI:16543 CH$LINK: KEGG C00437 -CH$LINK: PUBCHEM SID:3726 +CH$LINK: PUBCHEM CID:439232 CH$LINK: INCHIKEY JRLGPAXAGHMNOL-LURJTMIESA-N CH$LINK: COMPTOX DTXSID80331400 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO000058.txt b/Keio_Univ/MSBNK-Keio_Univ-KO000058.txt index ecee7734241..765672fc868 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO000058.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO000058.txt @@ -14,7 +14,7 @@ CH$SMILES: NCCCC(NC(C)=O)C(O)=O CH$IUPAC: InChI=1S/C7H14N2O3/c1-5(10)9-6(7(11)12)3-2-4-8/h6H,2-4,8H2,1H3,(H,9,10)(H,11,12)/t6-/m0/s1 CH$LINK: CHEBI CHEBI:16543 CH$LINK: KEGG C00437 -CH$LINK: PUBCHEM SID:3726 +CH$LINK: PUBCHEM CID:439232 CH$LINK: INCHIKEY JRLGPAXAGHMNOL-LURJTMIESA-N CH$LINK: COMPTOX DTXSID80331400 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO000059.txt b/Keio_Univ/MSBNK-Keio_Univ-KO000059.txt index 4164577fa4b..afb972a5003 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO000059.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO000059.txt @@ -14,7 +14,7 @@ CH$SMILES: NCCCC(NC(C)=O)C(O)=O CH$IUPAC: InChI=1S/C7H14N2O3/c1-5(10)9-6(7(11)12)3-2-4-8/h6H,2-4,8H2,1H3,(H,9,10)(H,11,12)/t6-/m0/s1 CH$LINK: CHEBI CHEBI:16543 CH$LINK: KEGG C00437 -CH$LINK: PUBCHEM SID:3726 +CH$LINK: PUBCHEM CID:439232 CH$LINK: INCHIKEY JRLGPAXAGHMNOL-LURJTMIESA-N CH$LINK: COMPTOX DTXSID80331400 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO000060.txt b/Keio_Univ/MSBNK-Keio_Univ-KO000060.txt index d2cbb3bce92..1a57ddfbeb5 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO000060.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO000060.txt @@ -14,7 +14,7 @@ CH$SMILES: NCCCC(NC(C)=O)C(O)=O CH$IUPAC: InChI=1S/C7H14N2O3/c1-5(10)9-6(7(11)12)3-2-4-8/h6H,2-4,8H2,1H3,(H,9,10)(H,11,12)/t6-/m0/s1 CH$LINK: CHEBI CHEBI:16543 CH$LINK: KEGG C00437 -CH$LINK: PUBCHEM SID:3726 +CH$LINK: PUBCHEM CID:439232 CH$LINK: INCHIKEY JRLGPAXAGHMNOL-LURJTMIESA-N CH$LINK: COMPTOX DTXSID80331400 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO000061.txt b/Keio_Univ/MSBNK-Keio_Univ-KO000061.txt index b202c3854c2..2b850c4bd4b 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO000061.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO000061.txt @@ -14,7 +14,7 @@ CH$SMILES: NCCCC(NC(C)=O)C(O)=O CH$IUPAC: InChI=1S/C7H14N2O3/c1-5(10)9-6(7(11)12)3-2-4-8/h6H,2-4,8H2,1H3,(H,9,10)(H,11,12)/t6-/m0/s1 CH$LINK: CHEBI CHEBI:16543 CH$LINK: KEGG C00437 -CH$LINK: PUBCHEM SID:3726 +CH$LINK: PUBCHEM CID:439232 CH$LINK: INCHIKEY JRLGPAXAGHMNOL-LURJTMIESA-N CH$LINK: COMPTOX DTXSID80331400 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO000062.txt b/Keio_Univ/MSBNK-Keio_Univ-KO000062.txt index 07abd7bdef9..1a2951e29e6 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO000062.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO000062.txt @@ -16,7 +16,7 @@ CH$LINK: CAS 19046-78-7 CH$LINK: CHEBI CHEBI:15919 CH$LINK: KEGG C03794 CH$LINK: NIKKAJI J37.503I -CH$LINK: PUBCHEM SID:6543 +CH$LINK: PUBCHEM CID:447145 CH$LINK: INCHIKEY OFBHPPMPBOJXRT-VWJPMABRSA-N AC$INSTRUMENT: API3000, Applied Biosystems AC$INSTRUMENT_TYPE: LC-ESI-QQ diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO000063.txt b/Keio_Univ/MSBNK-Keio_Univ-KO000063.txt index 2c6f242585d..3eb296fe47c 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO000063.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO000063.txt @@ -16,7 +16,7 @@ CH$LINK: CAS 19046-78-7 CH$LINK: CHEBI CHEBI:15919 CH$LINK: KEGG C03794 CH$LINK: NIKKAJI J37.503I -CH$LINK: PUBCHEM SID:6543 +CH$LINK: PUBCHEM CID:447145 CH$LINK: INCHIKEY OFBHPPMPBOJXRT-VWJPMABRSA-N AC$INSTRUMENT: API3000, Applied Biosystems AC$INSTRUMENT_TYPE: LC-ESI-QQ diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO000064.txt b/Keio_Univ/MSBNK-Keio_Univ-KO000064.txt index 56eb5e49545..97fa8d022f7 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO000064.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO000064.txt @@ -16,7 +16,7 @@ CH$LINK: CAS 19046-78-7 CH$LINK: CHEBI CHEBI:15919 CH$LINK: KEGG C03794 CH$LINK: NIKKAJI J37.503I -CH$LINK: PUBCHEM SID:6543 +CH$LINK: PUBCHEM CID:447145 CH$LINK: INCHIKEY OFBHPPMPBOJXRT-VWJPMABRSA-N AC$INSTRUMENT: API3000, Applied Biosystems AC$INSTRUMENT_TYPE: LC-ESI-QQ diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO000065.txt b/Keio_Univ/MSBNK-Keio_Univ-KO000065.txt index a8085cda105..e19577a65af 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO000065.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO000065.txt @@ -16,7 +16,7 @@ CH$LINK: CAS 19046-78-7 CH$LINK: CHEBI CHEBI:15919 CH$LINK: KEGG C03794 CH$LINK: NIKKAJI J37.503I -CH$LINK: PUBCHEM SID:6543 +CH$LINK: PUBCHEM CID:447145 CH$LINK: INCHIKEY OFBHPPMPBOJXRT-VWJPMABRSA-N AC$INSTRUMENT: API3000, Applied Biosystems AC$INSTRUMENT_TYPE: LC-ESI-QQ diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO000066.txt b/Keio_Univ/MSBNK-Keio_Univ-KO000066.txt index ae1dc7dcd3d..61cf8a1d48b 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO000066.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO000066.txt @@ -16,7 +16,7 @@ CH$LINK: CAS 19046-78-7 CH$LINK: CHEBI CHEBI:15919 CH$LINK: KEGG C03794 CH$LINK: NIKKAJI J37.503I -CH$LINK: PUBCHEM SID:6543 +CH$LINK: PUBCHEM CID:447145 CH$LINK: INCHIKEY OFBHPPMPBOJXRT-VWJPMABRSA-N AC$INSTRUMENT: API3000, Applied Biosystems AC$INSTRUMENT_TYPE: LC-ESI-QQ diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO000067.txt b/Keio_Univ/MSBNK-Keio_Univ-KO000067.txt index e72e23d1979..84641d1ad57 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO000067.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO000067.txt @@ -16,7 +16,7 @@ CH$LINK: CAS 19046-78-7 CH$LINK: CHEBI CHEBI:15919 CH$LINK: KEGG C03794 CH$LINK: NIKKAJI J37.503I -CH$LINK: PUBCHEM SID:6543 +CH$LINK: PUBCHEM CID:447145 CH$LINK: INCHIKEY OFBHPPMPBOJXRT-VWJPMABRSA-N AC$INSTRUMENT: API3000, Applied Biosystems AC$INSTRUMENT_TYPE: LC-ESI-QQ diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO000068.txt b/Keio_Univ/MSBNK-Keio_Univ-KO000068.txt index d93d5c5088e..8f004dd9fe5 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO000068.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO000068.txt @@ -16,7 +16,7 @@ CH$LINK: CAS 19046-78-7 CH$LINK: CHEBI CHEBI:15919 CH$LINK: KEGG C03794 CH$LINK: NIKKAJI J37.503I -CH$LINK: PUBCHEM SID:6543 +CH$LINK: PUBCHEM CID:447145 CH$LINK: INCHIKEY OFBHPPMPBOJXRT-VWJPMABRSA-N AC$INSTRUMENT: API3000, Applied Biosystems AC$INSTRUMENT_TYPE: LC-ESI-QQ diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO000069.txt b/Keio_Univ/MSBNK-Keio_Univ-KO000069.txt index 681000c9b40..3d5f254c79a 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO000069.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO000069.txt @@ -16,7 +16,7 @@ CH$LINK: CAS 19046-78-7 CH$LINK: CHEBI CHEBI:15919 CH$LINK: KEGG C03794 CH$LINK: NIKKAJI J37.503I -CH$LINK: PUBCHEM SID:6543 +CH$LINK: PUBCHEM CID:447145 CH$LINK: INCHIKEY OFBHPPMPBOJXRT-VWJPMABRSA-N AC$INSTRUMENT: API3000, Applied Biosystems AC$INSTRUMENT_TYPE: LC-ESI-QQ diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO000070.txt b/Keio_Univ/MSBNK-Keio_Univ-KO000070.txt index 9d0f9656ac0..32d3dbf6b1c 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO000070.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO000070.txt @@ -16,7 +16,7 @@ CH$LINK: CAS 19046-78-7 CH$LINK: CHEBI CHEBI:15919 CH$LINK: KEGG C03794 CH$LINK: NIKKAJI J37.503I -CH$LINK: PUBCHEM SID:6543 +CH$LINK: PUBCHEM CID:447145 CH$LINK: INCHIKEY OFBHPPMPBOJXRT-VWJPMABRSA-N AC$INSTRUMENT: API3000, Applied Biosystems AC$INSTRUMENT_TYPE: LC-ESI-QQ diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO000071.txt b/Keio_Univ/MSBNK-Keio_Univ-KO000071.txt index 6060b36f035..2042eaa0f68 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO000071.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO000071.txt @@ -16,7 +16,7 @@ CH$LINK: CAS 19046-78-7 CH$LINK: CHEBI CHEBI:15919 CH$LINK: KEGG C03794 CH$LINK: NIKKAJI J37.503I -CH$LINK: PUBCHEM SID:6543 +CH$LINK: PUBCHEM CID:447145 CH$LINK: INCHIKEY OFBHPPMPBOJXRT-VWJPMABRSA-N AC$INSTRUMENT: API3000, Applied Biosystems AC$INSTRUMENT_TYPE: LC-ESI-QQ diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO000072.txt b/Keio_Univ/MSBNK-Keio_Univ-KO000072.txt index 5a1cbaaca98..fc0f4895c2e 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO000072.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO000072.txt @@ -18,7 +18,7 @@ CH$SMILES: OC(=O)CC(C(O)=O)NC(=N)NCCCC(N)C(O)=O CH$IUPAC: InChI=1S/C10H18N4O6/c11-5(8(17)18)2-1-3-13-10(12)14-6(9(19)20)4-7(15)16/h5-6H,1-4,11H2,(H,15,16)(H,17,18)(H,19,20)(H3,12,13,14)/t5-,6-/m0/s1 CH$LINK: CHEBI CHEBI:15682 CH$LINK: KEGG C03406 -CH$LINK: PUBCHEM SID:6235 +CH$LINK: PUBCHEM CID:16950 CH$LINK: INCHIKEY KDZOASGQNOPSCU-WDSKDSINSA-N CH$LINK: COMPTOX DTXSID80178574 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO000073.txt b/Keio_Univ/MSBNK-Keio_Univ-KO000073.txt index 0dbda870538..2f6e91776c3 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO000073.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO000073.txt @@ -18,7 +18,7 @@ CH$SMILES: OC(=O)CC(C(O)=O)NC(=N)NCCCC(N)C(O)=O CH$IUPAC: InChI=1S/C10H18N4O6/c11-5(8(17)18)2-1-3-13-10(12)14-6(9(19)20)4-7(15)16/h5-6H,1-4,11H2,(H,15,16)(H,17,18)(H,19,20)(H3,12,13,14)/t5-,6-/m0/s1 CH$LINK: CHEBI CHEBI:15682 CH$LINK: KEGG C03406 -CH$LINK: PUBCHEM SID:6235 +CH$LINK: PUBCHEM CID:16950 CH$LINK: INCHIKEY KDZOASGQNOPSCU-WDSKDSINSA-N CH$LINK: COMPTOX DTXSID80178574 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO000074.txt b/Keio_Univ/MSBNK-Keio_Univ-KO000074.txt index 5819f1b5fb6..50d93f4b982 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO000074.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO000074.txt @@ -18,7 +18,7 @@ CH$SMILES: OC(=O)CC(C(O)=O)NC(=N)NCCCC(N)C(O)=O CH$IUPAC: InChI=1S/C10H18N4O6/c11-5(8(17)18)2-1-3-13-10(12)14-6(9(19)20)4-7(15)16/h5-6H,1-4,11H2,(H,15,16)(H,17,18)(H,19,20)(H3,12,13,14)/t5-,6-/m0/s1 CH$LINK: CHEBI CHEBI:15682 CH$LINK: KEGG C03406 -CH$LINK: PUBCHEM SID:6235 +CH$LINK: PUBCHEM CID:16950 CH$LINK: INCHIKEY KDZOASGQNOPSCU-WDSKDSINSA-N CH$LINK: COMPTOX DTXSID80178574 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO000075.txt b/Keio_Univ/MSBNK-Keio_Univ-KO000075.txt index ac9ddc48078..7230580d242 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO000075.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO000075.txt @@ -18,7 +18,7 @@ CH$SMILES: OC(=O)CC(C(O)=O)NC(=N)NCCCC(N)C(O)=O CH$IUPAC: InChI=1S/C10H18N4O6/c11-5(8(17)18)2-1-3-13-10(12)14-6(9(19)20)4-7(15)16/h5-6H,1-4,11H2,(H,15,16)(H,17,18)(H,19,20)(H3,12,13,14)/t5-,6-/m0/s1 CH$LINK: CHEBI CHEBI:15682 CH$LINK: KEGG C03406 -CH$LINK: PUBCHEM SID:6235 +CH$LINK: PUBCHEM CID:16950 CH$LINK: INCHIKEY KDZOASGQNOPSCU-WDSKDSINSA-N CH$LINK: COMPTOX DTXSID80178574 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO000076.txt b/Keio_Univ/MSBNK-Keio_Univ-KO000076.txt index 4264641c886..548b76db406 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO000076.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO000076.txt @@ -18,7 +18,7 @@ CH$SMILES: OC(=O)CC(C(O)=O)NC(=N)NCCCC(N)C(O)=O CH$IUPAC: InChI=1S/C10H18N4O6/c11-5(8(17)18)2-1-3-13-10(12)14-6(9(19)20)4-7(15)16/h5-6H,1-4,11H2,(H,15,16)(H,17,18)(H,19,20)(H3,12,13,14)/t5-,6-/m0/s1 CH$LINK: CHEBI CHEBI:15682 CH$LINK: KEGG C03406 -CH$LINK: PUBCHEM SID:6235 +CH$LINK: PUBCHEM CID:16950 CH$LINK: INCHIKEY KDZOASGQNOPSCU-WDSKDSINSA-N CH$LINK: COMPTOX DTXSID80178574 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO000077.txt b/Keio_Univ/MSBNK-Keio_Univ-KO000077.txt index 286f733f68a..d10e49430de 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO000077.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO000077.txt @@ -18,7 +18,7 @@ CH$LINK: CAS 79-10-7 CH$LINK: CHEBI CHEBI:18308 CH$LINK: KEGG C00511 CH$LINK: NIKKAJI J1.493A -CH$LINK: PUBCHEM SID:3794 +CH$LINK: PUBCHEM CID:6581 CH$LINK: INCHIKEY NIXOWILDQLNWCW-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID0039229 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO000078.txt b/Keio_Univ/MSBNK-Keio_Univ-KO000078.txt index 49fe5427408..385727c1d1b 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO000078.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO000078.txt @@ -18,7 +18,7 @@ CH$LINK: CAS 79-10-7 CH$LINK: CHEBI CHEBI:18308 CH$LINK: KEGG C00511 CH$LINK: NIKKAJI J1.493A -CH$LINK: PUBCHEM SID:3794 +CH$LINK: PUBCHEM CID:6581 CH$LINK: INCHIKEY NIXOWILDQLNWCW-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID0039229 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO000079.txt b/Keio_Univ/MSBNK-Keio_Univ-KO000079.txt index eed5b6a1848..27a59318ed9 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO000079.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO000079.txt @@ -13,7 +13,7 @@ CH$IUPAC: InChI=1S/C7H7N3/c8-7-9-5-3-1-2-4-6(5)10-7/h1-4H,(H3,8,9,10) CH$LINK: CAS 934-32-7 CH$LINK: KEGG C10901 CH$LINK: NIKKAJI J3.655B -CH$LINK: PUBCHEM SID:13084 +CH$LINK: PUBCHEM CID:13624 CH$LINK: INCHIKEY JWYUFVNJZUSCSM-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID1024465 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO000080.txt b/Keio_Univ/MSBNK-Keio_Univ-KO000080.txt index 44587c4aca9..11539987e4b 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO000080.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO000080.txt @@ -13,7 +13,7 @@ CH$IUPAC: InChI=1S/C7H7N3/c8-7-9-5-3-1-2-4-6(5)10-7/h1-4H,(H3,8,9,10) CH$LINK: CAS 934-32-7 CH$LINK: KEGG C10901 CH$LINK: NIKKAJI J3.655B -CH$LINK: PUBCHEM SID:13084 +CH$LINK: PUBCHEM CID:13624 CH$LINK: INCHIKEY JWYUFVNJZUSCSM-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID1024465 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO000081.txt b/Keio_Univ/MSBNK-Keio_Univ-KO000081.txt index 24d41781d1a..a190cbf8381 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO000081.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO000081.txt @@ -13,7 +13,7 @@ CH$IUPAC: InChI=1S/C7H7N3/c8-7-9-5-3-1-2-4-6(5)10-7/h1-4H,(H3,8,9,10) CH$LINK: CAS 934-32-7 CH$LINK: KEGG C10901 CH$LINK: NIKKAJI J3.655B -CH$LINK: PUBCHEM SID:13084 +CH$LINK: PUBCHEM CID:13624 CH$LINK: INCHIKEY JWYUFVNJZUSCSM-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID1024465 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO000082.txt b/Keio_Univ/MSBNK-Keio_Univ-KO000082.txt index 0c45e015fe3..69d56596438 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO000082.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO000082.txt @@ -13,7 +13,7 @@ CH$IUPAC: InChI=1S/C7H7N3/c8-7-9-5-3-1-2-4-6(5)10-7/h1-4H,(H3,8,9,10) CH$LINK: CAS 934-32-7 CH$LINK: KEGG C10901 CH$LINK: NIKKAJI J3.655B -CH$LINK: PUBCHEM SID:13084 +CH$LINK: PUBCHEM CID:13624 CH$LINK: INCHIKEY JWYUFVNJZUSCSM-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID1024465 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO000083.txt b/Keio_Univ/MSBNK-Keio_Univ-KO000083.txt index 510f6c9afbe..6a0affd5f47 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO000083.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO000083.txt @@ -13,7 +13,7 @@ CH$IUPAC: InChI=1S/C7H7N3/c8-7-9-5-3-1-2-4-6(5)10-7/h1-4H,(H3,8,9,10) CH$LINK: CAS 934-32-7 CH$LINK: KEGG C10901 CH$LINK: NIKKAJI J3.655B -CH$LINK: PUBCHEM SID:13084 +CH$LINK: PUBCHEM CID:13624 CH$LINK: INCHIKEY JWYUFVNJZUSCSM-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID1024465 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO000084.txt b/Keio_Univ/MSBNK-Keio_Univ-KO000084.txt index 99edb8c98a7..8d95a049cc5 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO000084.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO000084.txt @@ -18,7 +18,7 @@ CH$LINK: CHEBI CHEBI:30753 CH$LINK: CHEMPDB PAB CH$LINK: KEGG C00568 CH$LINK: NIKKAJI J5.852A -CH$LINK: PUBCHEM SID:3847 +CH$LINK: PUBCHEM CID:978 CH$LINK: INCHIKEY ALYNCZNDIQEVRV-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID6024466 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO000085.txt b/Keio_Univ/MSBNK-Keio_Univ-KO000085.txt index f35cfb20094..bd5226a1358 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO000085.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO000085.txt @@ -18,7 +18,7 @@ CH$LINK: CHEBI CHEBI:30753 CH$LINK: CHEMPDB PAB CH$LINK: KEGG C00568 CH$LINK: NIKKAJI J5.852A -CH$LINK: PUBCHEM SID:3847 +CH$LINK: PUBCHEM CID:978 CH$LINK: INCHIKEY ALYNCZNDIQEVRV-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID6024466 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO000086.txt b/Keio_Univ/MSBNK-Keio_Univ-KO000086.txt index 197f719a474..3373cf4df23 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO000086.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO000086.txt @@ -18,7 +18,7 @@ CH$LINK: CHEBI CHEBI:30753 CH$LINK: CHEMPDB PAB CH$LINK: KEGG C00568 CH$LINK: NIKKAJI J5.852A -CH$LINK: PUBCHEM SID:3847 +CH$LINK: PUBCHEM CID:978 CH$LINK: INCHIKEY ALYNCZNDIQEVRV-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID6024466 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO000087.txt b/Keio_Univ/MSBNK-Keio_Univ-KO000087.txt index 7d30eac8b3f..0e9be0005a3 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO000087.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO000087.txt @@ -18,7 +18,7 @@ CH$LINK: CHEBI CHEBI:30753 CH$LINK: CHEMPDB PAB CH$LINK: KEGG C00568 CH$LINK: NIKKAJI J5.852A -CH$LINK: PUBCHEM SID:3847 +CH$LINK: PUBCHEM CID:978 CH$LINK: INCHIKEY ALYNCZNDIQEVRV-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID6024466 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO000088.txt b/Keio_Univ/MSBNK-Keio_Univ-KO000088.txt index 781b5c45688..e4e5d505385 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO000088.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO000088.txt @@ -18,7 +18,7 @@ CH$LINK: CHEBI CHEBI:30753 CH$LINK: CHEMPDB PAB CH$LINK: KEGG C00568 CH$LINK: NIKKAJI J5.852A -CH$LINK: PUBCHEM SID:3847 +CH$LINK: PUBCHEM CID:978 CH$LINK: INCHIKEY ALYNCZNDIQEVRV-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID6024466 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO000089.txt b/Keio_Univ/MSBNK-Keio_Univ-KO000089.txt index 92208088949..ad55fb42af3 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO000089.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO000089.txt @@ -17,7 +17,7 @@ CH$LINK: CAS 61-82-5 CH$LINK: CHEBI CHEBI:1448 CH$LINK: KEGG C11261 CH$LINK: NIKKAJI J2.345K -CH$LINK: PUBCHEM SID:13438 +CH$LINK: PUBCHEM CID:1639 CH$LINK: INCHIKEY KLSJWNVTNUYHDU-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID0020076 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO000090.txt b/Keio_Univ/MSBNK-Keio_Univ-KO000090.txt index 4ee4a199f51..c0ce0a532b3 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO000090.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO000090.txt @@ -17,7 +17,7 @@ CH$LINK: CAS 61-82-5 CH$LINK: CHEBI CHEBI:1448 CH$LINK: KEGG C11261 CH$LINK: NIKKAJI J2.345K -CH$LINK: PUBCHEM SID:13438 +CH$LINK: PUBCHEM CID:1639 CH$LINK: INCHIKEY KLSJWNVTNUYHDU-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID0020076 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO000091.txt b/Keio_Univ/MSBNK-Keio_Univ-KO000091.txt index 814815051bb..41326373c79 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO000091.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO000091.txt @@ -17,7 +17,7 @@ CH$LINK: CAS 61-82-5 CH$LINK: CHEBI CHEBI:1448 CH$LINK: KEGG C11261 CH$LINK: NIKKAJI J2.345K -CH$LINK: PUBCHEM SID:13438 +CH$LINK: PUBCHEM CID:1639 CH$LINK: INCHIKEY KLSJWNVTNUYHDU-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID0020076 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO000092.txt b/Keio_Univ/MSBNK-Keio_Univ-KO000092.txt index d1a8ebdf2c3..a1a945efb67 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO000092.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO000092.txt @@ -17,7 +17,7 @@ CH$LINK: CAS 61-82-5 CH$LINK: CHEBI CHEBI:1448 CH$LINK: KEGG C11261 CH$LINK: NIKKAJI J2.345K -CH$LINK: PUBCHEM SID:13438 +CH$LINK: PUBCHEM CID:1639 CH$LINK: INCHIKEY KLSJWNVTNUYHDU-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID0020076 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO000093.txt b/Keio_Univ/MSBNK-Keio_Univ-KO000093.txt index 1f853515d10..bc86da06905 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO000093.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO000093.txt @@ -17,7 +17,7 @@ CH$LINK: CAS 61-82-5 CH$LINK: CHEBI CHEBI:1448 CH$LINK: KEGG C11261 CH$LINK: NIKKAJI J2.345K -CH$LINK: PUBCHEM SID:13438 +CH$LINK: PUBCHEM CID:1639 CH$LINK: INCHIKEY KLSJWNVTNUYHDU-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID0020076 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO000094.txt b/Keio_Univ/MSBNK-Keio_Univ-KO000094.txt index c36c3d781d1..dc216fce280 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO000094.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO000094.txt @@ -15,7 +15,7 @@ CH$LINK: CAS 22059-21-8 CH$LINK: CHEBI CHEBI:30526 CH$LINK: KEGG C01234 CH$LINK: NIKKAJI J83.133F -CH$LINK: PUBCHEM SID:4455 +CH$LINK: PUBCHEM CID:535 CH$LINK: INCHIKEY PAJPWUMXBYXFCZ-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID9039577 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO000095.txt b/Keio_Univ/MSBNK-Keio_Univ-KO000095.txt index c23a6b793cb..77aefb0e97c 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO000095.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO000095.txt @@ -15,7 +15,7 @@ CH$LINK: CAS 22059-21-8 CH$LINK: CHEBI CHEBI:30526 CH$LINK: KEGG C01234 CH$LINK: NIKKAJI J83.133F -CH$LINK: PUBCHEM SID:4455 +CH$LINK: PUBCHEM CID:535 CH$LINK: INCHIKEY PAJPWUMXBYXFCZ-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID9039577 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO000096.txt b/Keio_Univ/MSBNK-Keio_Univ-KO000096.txt index 1c443127261..95e492d8627 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO000096.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO000096.txt @@ -15,7 +15,7 @@ CH$IUPAC: InChI=1S/C4H9NO2/c1-4(2,5)3(6)7/h5H2,1-2H3,(H,6,7) CH$LINK: CAS 62-57-7 CH$LINK: KEGG C03665 CH$LINK: NIKKAJI J38.908K -CH$LINK: PUBCHEM SID:6443 +CH$LINK: PUBCHEM CID:6119 CH$LINK: INCHIKEY FUOOLUPWFVMBKG-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID0058772 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO000097.txt b/Keio_Univ/MSBNK-Keio_Univ-KO000097.txt index 25f5e4b575e..559a350f253 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO000097.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO000097.txt @@ -15,7 +15,7 @@ CH$IUPAC: InChI=1S/C4H9NO2/c1-4(2,5)3(6)7/h5H2,1-2H3,(H,6,7) CH$LINK: CAS 62-57-7 CH$LINK: KEGG C03665 CH$LINK: NIKKAJI J38.908K -CH$LINK: PUBCHEM SID:6443 +CH$LINK: PUBCHEM CID:6119 CH$LINK: INCHIKEY FUOOLUPWFVMBKG-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID0058772 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO000098.txt b/Keio_Univ/MSBNK-Keio_Univ-KO000098.txt index 96254ff763b..b00caa2f0a6 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO000098.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO000098.txt @@ -16,7 +16,7 @@ CH$IUPAC: InChI=1S/C6H11NO2/c7-6(5(8)9)3-1-2-4-6/h1-4,7H2,(H,8,9) CH$LINK: CAS 52-52-8 CH$LINK: KEGG C03969 CH$LINK: NIKKAJI J4.131I -CH$LINK: PUBCHEM SID:6689 +CH$LINK: PUBCHEM CID:2901 CH$LINK: INCHIKEY NILQLFBWTXNUOE-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID5024475 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO000099.txt b/Keio_Univ/MSBNK-Keio_Univ-KO000099.txt index cedec62bbf9..d0827f92487 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO000099.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO000099.txt @@ -16,7 +16,7 @@ CH$IUPAC: InChI=1S/C6H11NO2/c7-6(5(8)9)3-1-2-4-6/h1-4,7H2,(H,8,9) CH$LINK: CAS 52-52-8 CH$LINK: KEGG C03969 CH$LINK: NIKKAJI J4.131I -CH$LINK: PUBCHEM SID:6689 +CH$LINK: PUBCHEM CID:2901 CH$LINK: INCHIKEY NILQLFBWTXNUOE-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID5024475 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO000100.txt b/Keio_Univ/MSBNK-Keio_Univ-KO000100.txt index 4aecb1d08ae..efed563f299 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO000100.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO000100.txt @@ -16,7 +16,7 @@ CH$IUPAC: InChI=1S/C6H11NO2/c7-6(5(8)9)3-1-2-4-6/h1-4,7H2,(H,8,9) CH$LINK: CAS 52-52-8 CH$LINK: KEGG C03969 CH$LINK: NIKKAJI J4.131I -CH$LINK: PUBCHEM SID:6689 +CH$LINK: PUBCHEM CID:2901 CH$LINK: INCHIKEY NILQLFBWTXNUOE-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID5024475 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO000101.txt b/Keio_Univ/MSBNK-Keio_Univ-KO000101.txt index 1aa655e58a6..4cbab05fb96 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO000101.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO000101.txt @@ -16,7 +16,7 @@ CH$IUPAC: InChI=1S/C6H11NO2/c7-6(5(8)9)3-1-2-4-6/h1-4,7H2,(H,8,9) CH$LINK: CAS 52-52-8 CH$LINK: KEGG C03969 CH$LINK: NIKKAJI J4.131I -CH$LINK: PUBCHEM SID:6689 +CH$LINK: PUBCHEM CID:2901 CH$LINK: INCHIKEY NILQLFBWTXNUOE-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID5024475 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO000102.txt b/Keio_Univ/MSBNK-Keio_Univ-KO000102.txt index 49bb1d6082a..925ea2328b0 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO000102.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO000102.txt @@ -16,7 +16,7 @@ CH$IUPAC: InChI=1S/C6H11NO2/c7-6(5(8)9)3-1-2-4-6/h1-4,7H2,(H,8,9) CH$LINK: CAS 52-52-8 CH$LINK: KEGG C03969 CH$LINK: NIKKAJI J4.131I -CH$LINK: PUBCHEM SID:6689 +CH$LINK: PUBCHEM CID:2901 CH$LINK: INCHIKEY NILQLFBWTXNUOE-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID5024475 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO000103.txt b/Keio_Univ/MSBNK-Keio_Univ-KO000103.txt index 7eb39937ddd..1d51873b1bb 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO000103.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO000103.txt @@ -17,7 +17,7 @@ CH$LINK: CAS 60-32-2 CH$LINK: CHEBI CHEBI:32396 CH$LINK: KEGG C02378 CH$LINK: NIKKAJI J1.398F -CH$LINK: PUBCHEM SID:5420 +CH$LINK: PUBCHEM CID:564 CH$LINK: INCHIKEY SLXKOJJOQWFEFD-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID0020070 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO000104.txt b/Keio_Univ/MSBNK-Keio_Univ-KO000104.txt index 43b0933f5ee..4839768f846 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO000104.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO000104.txt @@ -17,7 +17,7 @@ CH$LINK: CAS 60-32-2 CH$LINK: CHEBI CHEBI:32396 CH$LINK: KEGG C02378 CH$LINK: NIKKAJI J1.398F -CH$LINK: PUBCHEM SID:5420 +CH$LINK: PUBCHEM CID:564 CH$LINK: INCHIKEY SLXKOJJOQWFEFD-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID0020070 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO000105.txt b/Keio_Univ/MSBNK-Keio_Univ-KO000105.txt index 88ff211e26c..81c1f8f888d 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO000105.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO000105.txt @@ -17,7 +17,7 @@ CH$LINK: CAS 60-32-2 CH$LINK: CHEBI CHEBI:32396 CH$LINK: KEGG C02378 CH$LINK: NIKKAJI J1.398F -CH$LINK: PUBCHEM SID:5420 +CH$LINK: PUBCHEM CID:564 CH$LINK: INCHIKEY SLXKOJJOQWFEFD-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID0020070 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO000106.txt b/Keio_Univ/MSBNK-Keio_Univ-KO000106.txt index ff30596128e..6c6d122f4b9 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO000106.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO000106.txt @@ -17,7 +17,7 @@ CH$LINK: CAS 60-32-2 CH$LINK: CHEBI CHEBI:32396 CH$LINK: KEGG C02378 CH$LINK: NIKKAJI J1.398F -CH$LINK: PUBCHEM SID:5420 +CH$LINK: PUBCHEM CID:564 CH$LINK: INCHIKEY SLXKOJJOQWFEFD-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID0020070 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO000107.txt b/Keio_Univ/MSBNK-Keio_Univ-KO000107.txt index 03d5032dcd0..be27a55b06f 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO000107.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO000107.txt @@ -17,7 +17,7 @@ CH$LINK: CAS 60-32-2 CH$LINK: CHEBI CHEBI:32396 CH$LINK: KEGG C02378 CH$LINK: NIKKAJI J1.398F -CH$LINK: PUBCHEM SID:5420 +CH$LINK: PUBCHEM CID:564 CH$LINK: INCHIKEY SLXKOJJOQWFEFD-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID0020070 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO000108.txt b/Keio_Univ/MSBNK-Keio_Univ-KO000108.txt index ce480b8e2da..50b7caefffc 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO000108.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO000108.txt @@ -14,7 +14,7 @@ CH$SMILES: NCCP(O)(O)=O CH$IUPAC: InChI=1S/C2H8NO3P/c3-1-2-7(4,5)6/h1-3H2,(H2,4,5,6) CH$LINK: CHEBI CHEBI:15573 CH$LINK: KEGG C03557 -CH$LINK: PUBCHEM SID:6353 +CH$LINK: PUBCHEM CID:339 CH$LINK: INCHIKEY QQVDJLLNRSOCEL-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID10174362 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO000109.txt b/Keio_Univ/MSBNK-Keio_Univ-KO000109.txt index 7ac4dab7116..94f966138e6 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO000109.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO000109.txt @@ -14,7 +14,7 @@ CH$SMILES: NCCP(O)(O)=O CH$IUPAC: InChI=1S/C2H8NO3P/c3-1-2-7(4,5)6/h1-3H2,(H2,4,5,6) CH$LINK: CHEBI CHEBI:15573 CH$LINK: KEGG C03557 -CH$LINK: PUBCHEM SID:6353 +CH$LINK: PUBCHEM CID:339 CH$LINK: INCHIKEY QQVDJLLNRSOCEL-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID10174362 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO000110.txt b/Keio_Univ/MSBNK-Keio_Univ-KO000110.txt index be310920eda..a740ab8bafb 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO000110.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO000110.txt @@ -14,7 +14,7 @@ CH$SMILES: NCCP(O)(O)=O CH$IUPAC: InChI=1S/C2H8NO3P/c3-1-2-7(4,5)6/h1-3H2,(H2,4,5,6) CH$LINK: CHEBI CHEBI:15573 CH$LINK: KEGG C03557 -CH$LINK: PUBCHEM SID:6353 +CH$LINK: PUBCHEM CID:339 CH$LINK: INCHIKEY QQVDJLLNRSOCEL-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID10174362 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO000111.txt b/Keio_Univ/MSBNK-Keio_Univ-KO000111.txt index 2ee13395001..f701f6eff0d 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO000111.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO000111.txt @@ -14,7 +14,7 @@ CH$SMILES: NCCP(O)(O)=O CH$IUPAC: InChI=1S/C2H8NO3P/c3-1-2-7(4,5)6/h1-3H2,(H2,4,5,6) CH$LINK: CHEBI CHEBI:15573 CH$LINK: KEGG C03557 -CH$LINK: PUBCHEM SID:6353 +CH$LINK: PUBCHEM CID:339 CH$LINK: INCHIKEY QQVDJLLNRSOCEL-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID10174362 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO000112.txt b/Keio_Univ/MSBNK-Keio_Univ-KO000112.txt index 3076544823c..04f5ae85286 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO000112.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO000112.txt @@ -14,7 +14,7 @@ CH$SMILES: NCCP(O)(O)=O CH$IUPAC: InChI=1S/C2H8NO3P/c3-1-2-7(4,5)6/h1-3H2,(H2,4,5,6) CH$LINK: CHEBI CHEBI:15573 CH$LINK: KEGG C03557 -CH$LINK: PUBCHEM SID:6353 +CH$LINK: PUBCHEM CID:339 CH$LINK: INCHIKEY QQVDJLLNRSOCEL-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID10174362 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO000113.txt b/Keio_Univ/MSBNK-Keio_Univ-KO000113.txt index d26833c15c5..a3d6c4b7532 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO000113.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO000113.txt @@ -16,7 +16,7 @@ CH$IUPAC: InChI=1S/C2H8NO3P/c1-2(3)7(4,5)6/h2H,3H2,1H3,(H2,4,5,6)/t2-/m1/s1 CH$LINK: CAS 6323-97-3 CH$LINK: KEGG C03782 CH$LINK: NIKKAJI J81.190D -CH$LINK: PUBCHEM SID:6533 +CH$LINK: PUBCHEM CID:185992 CH$LINK: INCHIKEY UIQSKEDQPSEGAU-UWTATZPHSA-N CH$LINK: COMPTOX DTXSID10976121 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO000114.txt b/Keio_Univ/MSBNK-Keio_Univ-KO000114.txt index ddc0d41a7b7..6218aa69d03 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO000114.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO000114.txt @@ -16,7 +16,7 @@ CH$IUPAC: InChI=1S/C2H8NO3P/c1-2(3)7(4,5)6/h2H,3H2,1H3,(H2,4,5,6)/t2-/m1/s1 CH$LINK: CAS 6323-97-3 CH$LINK: KEGG C03782 CH$LINK: NIKKAJI J81.190D -CH$LINK: PUBCHEM SID:6533 +CH$LINK: PUBCHEM CID:185992 CH$LINK: INCHIKEY UIQSKEDQPSEGAU-UWTATZPHSA-N CH$LINK: COMPTOX DTXSID10976121 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO000115.txt b/Keio_Univ/MSBNK-Keio_Univ-KO000115.txt index b2b4ade0072..5feef9fd379 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO000115.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO000115.txt @@ -16,7 +16,7 @@ CH$IUPAC: InChI=1S/C2H8NO3P/c1-2(3)7(4,5)6/h2H,3H2,1H3,(H2,4,5,6)/t2-/m1/s1 CH$LINK: CAS 6323-97-3 CH$LINK: KEGG C03782 CH$LINK: NIKKAJI J81.190D -CH$LINK: PUBCHEM SID:6533 +CH$LINK: PUBCHEM CID:185992 CH$LINK: INCHIKEY UIQSKEDQPSEGAU-UWTATZPHSA-N CH$LINK: COMPTOX DTXSID10976121 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO000116.txt b/Keio_Univ/MSBNK-Keio_Univ-KO000116.txt index 4ae8933d2db..d7f057f14f2 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO000116.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO000116.txt @@ -16,7 +16,7 @@ CH$IUPAC: InChI=1S/C2H8NO3P/c1-2(3)7(4,5)6/h2H,3H2,1H3,(H2,4,5,6)/t2-/m1/s1 CH$LINK: CAS 6323-97-3 CH$LINK: KEGG C03782 CH$LINK: NIKKAJI J81.190D -CH$LINK: PUBCHEM SID:6533 +CH$LINK: PUBCHEM CID:185992 CH$LINK: INCHIKEY UIQSKEDQPSEGAU-UWTATZPHSA-N CH$LINK: COMPTOX DTXSID10976121 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO000117.txt b/Keio_Univ/MSBNK-Keio_Univ-KO000117.txt index d26260c7072..8a033e0edbd 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO000117.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO000117.txt @@ -16,7 +16,7 @@ CH$IUPAC: InChI=1S/C2H8NO3P/c1-2(3)7(4,5)6/h2H,3H2,1H3,(H2,4,5,6)/t2-/m1/s1 CH$LINK: CAS 6323-97-3 CH$LINK: KEGG C03782 CH$LINK: NIKKAJI J81.190D -CH$LINK: PUBCHEM SID:6533 +CH$LINK: PUBCHEM CID:185992 CH$LINK: INCHIKEY UIQSKEDQPSEGAU-UWTATZPHSA-N CH$LINK: COMPTOX DTXSID10976121 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO000118.txt b/Keio_Univ/MSBNK-Keio_Univ-KO000118.txt index c715fd5153b..bd1b3753a8b 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO000118.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO000118.txt @@ -16,7 +16,7 @@ CH$LINK: CAS 638-23-3 CH$LINK: CHEBI CHEBI:16163 CH$LINK: KEGG C03727 CH$LINK: NIKKAJI J2.289F -CH$LINK: PUBCHEM SID:6492 +CH$LINK: PUBCHEM CID:193653 CH$LINK: INCHIKEY GBFLZEXEOZUWRN-VKHMYHEASA-N CH$LINK: COMPTOX DTXSID30110060 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO000119.txt b/Keio_Univ/MSBNK-Keio_Univ-KO000119.txt index 610ad172a05..797952a1e59 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO000119.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO000119.txt @@ -16,7 +16,7 @@ CH$LINK: CAS 638-23-3 CH$LINK: CHEBI CHEBI:16163 CH$LINK: KEGG C03727 CH$LINK: NIKKAJI J2.289F -CH$LINK: PUBCHEM SID:6492 +CH$LINK: PUBCHEM CID:193653 CH$LINK: INCHIKEY GBFLZEXEOZUWRN-VKHMYHEASA-N CH$LINK: COMPTOX DTXSID30110060 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO000120.txt b/Keio_Univ/MSBNK-Keio_Univ-KO000120.txt index 3fc42a0cc7b..180858bb6d4 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO000120.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO000120.txt @@ -16,7 +16,7 @@ CH$LINK: CAS 638-23-3 CH$LINK: CHEBI CHEBI:16163 CH$LINK: KEGG C03727 CH$LINK: NIKKAJI J2.289F -CH$LINK: PUBCHEM SID:6492 +CH$LINK: PUBCHEM CID:193653 CH$LINK: INCHIKEY GBFLZEXEOZUWRN-VKHMYHEASA-N CH$LINK: COMPTOX DTXSID30110060 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO000121.txt b/Keio_Univ/MSBNK-Keio_Univ-KO000121.txt index b35d0f80aaa..b1d26367187 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO000121.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO000121.txt @@ -16,7 +16,7 @@ CH$LINK: CAS 638-23-3 CH$LINK: CHEBI CHEBI:16163 CH$LINK: KEGG C03727 CH$LINK: NIKKAJI J2.289F -CH$LINK: PUBCHEM SID:6492 +CH$LINK: PUBCHEM CID:193653 CH$LINK: INCHIKEY GBFLZEXEOZUWRN-VKHMYHEASA-N CH$LINK: COMPTOX DTXSID30110060 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO000122.txt b/Keio_Univ/MSBNK-Keio_Univ-KO000122.txt index 14419d21948..702d0bcf2d9 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO000122.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO000122.txt @@ -16,7 +16,7 @@ CH$LINK: CAS 638-23-3 CH$LINK: CHEBI CHEBI:16163 CH$LINK: KEGG C03727 CH$LINK: NIKKAJI J2.289F -CH$LINK: PUBCHEM SID:6492 +CH$LINK: PUBCHEM CID:193653 CH$LINK: INCHIKEY GBFLZEXEOZUWRN-VKHMYHEASA-N CH$LINK: COMPTOX DTXSID30110060 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO000123.txt b/Keio_Univ/MSBNK-Keio_Univ-KO000123.txt index 2b10763ade1..0032f8d4d76 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO000123.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO000123.txt @@ -16,7 +16,7 @@ CH$IUPAC: InChI=1S/C9H16O4/c10-8(11)6-4-2-1-3-5-7-9(12)13/h1-7H2,(H,10,11)(H,12, CH$LINK: CAS 123-99-9 CH$LINK: KEGG C08261 CH$LINK: NIKKAJI J10.058G -CH$LINK: PUBCHEM SID:10460 +CH$LINK: PUBCHEM CID:2266 CH$LINK: INCHIKEY BDJRBEYXGGNYIS-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID8021640 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO000124.txt b/Keio_Univ/MSBNK-Keio_Univ-KO000124.txt index f8c0d02b253..0f97d0ae085 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO000124.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO000124.txt @@ -16,7 +16,7 @@ CH$IUPAC: InChI=1S/C9H16O4/c10-8(11)6-4-2-1-3-5-7-9(12)13/h1-7H2,(H,10,11)(H,12, CH$LINK: CAS 123-99-9 CH$LINK: KEGG C08261 CH$LINK: NIKKAJI J10.058G -CH$LINK: PUBCHEM SID:10460 +CH$LINK: PUBCHEM CID:2266 CH$LINK: INCHIKEY BDJRBEYXGGNYIS-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID8021640 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO000125.txt b/Keio_Univ/MSBNK-Keio_Univ-KO000125.txt index c8de4a1f160..de35ceeb4e3 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO000125.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO000125.txt @@ -16,7 +16,7 @@ CH$IUPAC: InChI=1S/C9H16O4/c10-8(11)6-4-2-1-3-5-7-9(12)13/h1-7H2,(H,10,11)(H,12, CH$LINK: CAS 123-99-9 CH$LINK: KEGG C08261 CH$LINK: NIKKAJI J10.058G -CH$LINK: PUBCHEM SID:10460 +CH$LINK: PUBCHEM CID:2266 CH$LINK: INCHIKEY BDJRBEYXGGNYIS-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID8021640 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO000126.txt b/Keio_Univ/MSBNK-Keio_Univ-KO000126.txt index e4358f27d6a..aed0e74406e 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO000126.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO000126.txt @@ -16,7 +16,7 @@ CH$IUPAC: InChI=1S/C9H16O4/c10-8(11)6-4-2-1-3-5-7-9(12)13/h1-7H2,(H,10,11)(H,12, CH$LINK: CAS 123-99-9 CH$LINK: KEGG C08261 CH$LINK: NIKKAJI J10.058G -CH$LINK: PUBCHEM SID:10460 +CH$LINK: PUBCHEM CID:2266 CH$LINK: INCHIKEY BDJRBEYXGGNYIS-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID8021640 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO000127.txt b/Keio_Univ/MSBNK-Keio_Univ-KO000127.txt index 314d60fc0a4..ae2c91fdc0d 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO000127.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO000127.txt @@ -16,7 +16,7 @@ CH$IUPAC: InChI=1S/C9H16O4/c10-8(11)6-4-2-1-3-5-7-9(12)13/h1-7H2,(H,10,11)(H,12, CH$LINK: CAS 123-99-9 CH$LINK: KEGG C08261 CH$LINK: NIKKAJI J10.058G -CH$LINK: PUBCHEM SID:10460 +CH$LINK: PUBCHEM CID:2266 CH$LINK: INCHIKEY BDJRBEYXGGNYIS-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID8021640 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO000128.txt b/Keio_Univ/MSBNK-Keio_Univ-KO000128.txt index e68426bda97..32835742f3a 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO000128.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO000128.txt @@ -13,7 +13,7 @@ CH$IUPAC: InChI=1S/C7H13NO3S/c1-5(9)8-6(7(10)11)3-4-12-2/h6H,3-4H2,1-2H3,(H,8,9) CH$LINK: CAS 65-82-7 CH$LINK: KEGG C02712 CH$LINK: NIKKAJI J4.840B -CH$LINK: PUBCHEM SID:5675 +CH$LINK: PUBCHEM CID:448580 CH$LINK: INCHIKEY XUYPXLNMDZIRQH-LURJTMIESA-N CH$LINK: COMPTOX DTXSID00883214 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO000129.txt b/Keio_Univ/MSBNK-Keio_Univ-KO000129.txt index 4e4815cc73d..52b8b2f578d 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO000129.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO000129.txt @@ -13,7 +13,7 @@ CH$IUPAC: InChI=1S/C7H13NO3S/c1-5(9)8-6(7(10)11)3-4-12-2/h6H,3-4H2,1-2H3,(H,8,9) CH$LINK: CAS 65-82-7 CH$LINK: KEGG C02712 CH$LINK: NIKKAJI J4.840B -CH$LINK: PUBCHEM SID:5675 +CH$LINK: PUBCHEM CID:448580 CH$LINK: INCHIKEY XUYPXLNMDZIRQH-LURJTMIESA-N CH$LINK: COMPTOX DTXSID00883214 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO000130.txt b/Keio_Univ/MSBNK-Keio_Univ-KO000130.txt index 784550e9e2d..0a3d5ad608d 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO000130.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO000130.txt @@ -13,7 +13,7 @@ CH$IUPAC: InChI=1S/C7H13NO3S/c1-5(9)8-6(7(10)11)3-4-12-2/h6H,3-4H2,1-2H3,(H,8,9) CH$LINK: CAS 65-82-7 CH$LINK: KEGG C02712 CH$LINK: NIKKAJI J4.840B -CH$LINK: PUBCHEM SID:5675 +CH$LINK: PUBCHEM CID:448580 CH$LINK: INCHIKEY XUYPXLNMDZIRQH-LURJTMIESA-N CH$LINK: COMPTOX DTXSID00883214 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO000131.txt b/Keio_Univ/MSBNK-Keio_Univ-KO000131.txt index 459ad4e51e5..c9434e69a03 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO000131.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO000131.txt @@ -13,7 +13,7 @@ CH$IUPAC: InChI=1S/C7H13NO3S/c1-5(9)8-6(7(10)11)3-4-12-2/h6H,3-4H2,1-2H3,(H,8,9) CH$LINK: CAS 65-82-7 CH$LINK: KEGG C02712 CH$LINK: NIKKAJI J4.840B -CH$LINK: PUBCHEM SID:5675 +CH$LINK: PUBCHEM CID:448580 CH$LINK: INCHIKEY XUYPXLNMDZIRQH-LURJTMIESA-N CH$LINK: COMPTOX DTXSID00883214 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO000132.txt b/Keio_Univ/MSBNK-Keio_Univ-KO000132.txt index 2b348d686cb..b2f7397a386 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO000132.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO000132.txt @@ -13,7 +13,7 @@ CH$IUPAC: InChI=1S/C7H13NO3S/c1-5(9)8-6(7(10)11)3-4-12-2/h6H,3-4H2,1-2H3,(H,8,9) CH$LINK: CAS 65-82-7 CH$LINK: KEGG C02712 CH$LINK: NIKKAJI J4.840B -CH$LINK: PUBCHEM SID:5675 +CH$LINK: PUBCHEM CID:448580 CH$LINK: INCHIKEY XUYPXLNMDZIRQH-LURJTMIESA-N CH$LINK: COMPTOX DTXSID00883214 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO000133.txt b/Keio_Univ/MSBNK-Keio_Univ-KO000133.txt index 1a08465d4ac..e4f358013fa 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO000133.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO000133.txt @@ -15,7 +15,7 @@ CH$LINK: CAS 2018-61-3 CH$LINK: CHEBI CHEBI:16259 CH$LINK: KEGG C03519 CH$LINK: NIKKAJI J27.562J -CH$LINK: PUBCHEM SID:6328 +CH$LINK: PUBCHEM CID:74839 CH$LINK: INCHIKEY CBQJSKKFNMDLON-JTQLQIEISA-N CH$LINK: COMPTOX DTXSID20883539 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO000134.txt b/Keio_Univ/MSBNK-Keio_Univ-KO000134.txt index 6cbb79a99fa..25f73c9327e 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO000134.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO000134.txt @@ -15,7 +15,7 @@ CH$LINK: CAS 2018-61-3 CH$LINK: CHEBI CHEBI:16259 CH$LINK: KEGG C03519 CH$LINK: NIKKAJI J27.562J -CH$LINK: PUBCHEM SID:6328 +CH$LINK: PUBCHEM CID:74839 CH$LINK: INCHIKEY CBQJSKKFNMDLON-JTQLQIEISA-N CH$LINK: COMPTOX DTXSID20883539 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO000135.txt b/Keio_Univ/MSBNK-Keio_Univ-KO000135.txt index 63ca495082c..0ec48a81d9f 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO000135.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO000135.txt @@ -15,7 +15,7 @@ CH$LINK: CAS 2018-61-3 CH$LINK: CHEBI CHEBI:16259 CH$LINK: KEGG C03519 CH$LINK: NIKKAJI J27.562J -CH$LINK: PUBCHEM SID:6328 +CH$LINK: PUBCHEM CID:74839 CH$LINK: INCHIKEY CBQJSKKFNMDLON-JTQLQIEISA-N CH$LINK: COMPTOX DTXSID20883539 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO000136.txt b/Keio_Univ/MSBNK-Keio_Univ-KO000136.txt index 045650a74b5..ed5ffad5874 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO000136.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO000136.txt @@ -15,7 +15,7 @@ CH$LINK: CAS 2018-61-3 CH$LINK: CHEBI CHEBI:16259 CH$LINK: KEGG C03519 CH$LINK: NIKKAJI J27.562J -CH$LINK: PUBCHEM SID:6328 +CH$LINK: PUBCHEM CID:74839 CH$LINK: INCHIKEY CBQJSKKFNMDLON-JTQLQIEISA-N CH$LINK: COMPTOX DTXSID20883539 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO000137.txt b/Keio_Univ/MSBNK-Keio_Univ-KO000137.txt index 70948bf66f8..8553f9dfe17 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO000137.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO000137.txt @@ -15,7 +15,7 @@ CH$LINK: CAS 2018-61-3 CH$LINK: CHEBI CHEBI:16259 CH$LINK: KEGG C03519 CH$LINK: NIKKAJI J27.562J -CH$LINK: PUBCHEM SID:6328 +CH$LINK: PUBCHEM CID:74839 CH$LINK: INCHIKEY CBQJSKKFNMDLON-JTQLQIEISA-N CH$LINK: COMPTOX DTXSID20883539 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO000138.txt b/Keio_Univ/MSBNK-Keio_Univ-KO000138.txt index 17659d108e1..f6d6cf9da6d 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO000138.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO000138.txt @@ -14,7 +14,7 @@ CH$IUPAC: InChI=1S/C8H11N5O3/c9-8-11-6-5(7(15)12-8)10-3-13(6)4-16-2-1-14/h3,14H, CH$LINK: CAS 59277-89-3 CH$LINK: KEGG C06810 CH$LINK: NIKKAJI J11.247J -CH$LINK: PUBCHEM SID:9029 +CH$LINK: PUBCHEM CID:135398513 CH$LINK: INCHIKEY MKUXAQIIEYXACX-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID1022556 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO000139.txt b/Keio_Univ/MSBNK-Keio_Univ-KO000139.txt index 86fa8eb6909..e4bc53c0c52 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO000139.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO000139.txt @@ -14,7 +14,7 @@ CH$IUPAC: InChI=1S/C8H11N5O3/c9-8-11-6-5(7(15)12-8)10-3-13(6)4-16-2-1-14/h3,14H, CH$LINK: CAS 59277-89-3 CH$LINK: KEGG C06810 CH$LINK: NIKKAJI J11.247J -CH$LINK: PUBCHEM SID:9029 +CH$LINK: PUBCHEM CID:135398513 CH$LINK: INCHIKEY MKUXAQIIEYXACX-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID1022556 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO000140.txt b/Keio_Univ/MSBNK-Keio_Univ-KO000140.txt index 58761b5ff10..3c5af80df07 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO000140.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO000140.txt @@ -14,7 +14,7 @@ CH$IUPAC: InChI=1S/C8H11N5O3/c9-8-11-6-5(7(15)12-8)10-3-13(6)4-16-2-1-14/h3,14H, CH$LINK: CAS 59277-89-3 CH$LINK: KEGG C06810 CH$LINK: NIKKAJI J11.247J -CH$LINK: PUBCHEM SID:9029 +CH$LINK: PUBCHEM CID:135398513 CH$LINK: INCHIKEY MKUXAQIIEYXACX-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID1022556 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO000141.txt b/Keio_Univ/MSBNK-Keio_Univ-KO000141.txt index 36e5951e7b5..fdfe53de7e2 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO000141.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO000141.txt @@ -14,7 +14,7 @@ CH$IUPAC: InChI=1S/C8H11N5O3/c9-8-11-6-5(7(15)12-8)10-3-13(6)4-16-2-1-14/h3,14H, CH$LINK: CAS 59277-89-3 CH$LINK: KEGG C06810 CH$LINK: NIKKAJI J11.247J -CH$LINK: PUBCHEM SID:9029 +CH$LINK: PUBCHEM CID:135398513 CH$LINK: INCHIKEY MKUXAQIIEYXACX-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID1022556 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO000142.txt b/Keio_Univ/MSBNK-Keio_Univ-KO000142.txt index e5fb0d8070d..5eea0568b90 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO000142.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO000142.txt @@ -14,7 +14,7 @@ CH$IUPAC: InChI=1S/C8H11N5O3/c9-8-11-6-5(7(15)12-8)10-3-13(6)4-16-2-1-14/h3,14H, CH$LINK: CAS 59277-89-3 CH$LINK: KEGG C06810 CH$LINK: NIKKAJI J11.247J -CH$LINK: PUBCHEM SID:9029 +CH$LINK: PUBCHEM CID:135398513 CH$LINK: INCHIKEY MKUXAQIIEYXACX-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID1022556 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO000143.txt b/Keio_Univ/MSBNK-Keio_Univ-KO000143.txt index 80e3e121e4f..873df5a8551 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO000143.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO000143.txt @@ -15,7 +15,7 @@ CH$LINK: CAS 2497-02-1 CH$LINK: CHEBI CHEBI:16437 CH$LINK: KEGG C02997 CH$LINK: NIKKAJI J125.811G -CH$LINK: PUBCHEM SID:5906 +CH$LINK: PUBCHEM CID:75619 CH$LINK: INCHIKEY KBOJOGQFRVVWBH-ZETCQYMHSA-N AC$INSTRUMENT: API3000, Applied Biosystems AC$INSTRUMENT_TYPE: LC-ESI-QQ diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO000144.txt b/Keio_Univ/MSBNK-Keio_Univ-KO000144.txt index 3c66570d576..de84a01b84c 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO000144.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO000144.txt @@ -15,7 +15,7 @@ CH$LINK: CAS 2497-02-1 CH$LINK: CHEBI CHEBI:16437 CH$LINK: KEGG C02997 CH$LINK: NIKKAJI J125.811G -CH$LINK: PUBCHEM SID:5906 +CH$LINK: PUBCHEM CID:75619 CH$LINK: INCHIKEY KBOJOGQFRVVWBH-ZETCQYMHSA-N AC$INSTRUMENT: API3000, Applied Biosystems AC$INSTRUMENT_TYPE: LC-ESI-QQ diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO000145.txt b/Keio_Univ/MSBNK-Keio_Univ-KO000145.txt index 10916e84335..393d73834f6 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO000145.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO000145.txt @@ -15,7 +15,7 @@ CH$LINK: CAS 2497-02-1 CH$LINK: CHEBI CHEBI:16437 CH$LINK: KEGG C02997 CH$LINK: NIKKAJI J125.811G -CH$LINK: PUBCHEM SID:5906 +CH$LINK: PUBCHEM CID:75619 CH$LINK: INCHIKEY KBOJOGQFRVVWBH-ZETCQYMHSA-N AC$INSTRUMENT: API3000, Applied Biosystems AC$INSTRUMENT_TYPE: LC-ESI-QQ diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO000146.txt b/Keio_Univ/MSBNK-Keio_Univ-KO000146.txt index d85593fbaf9..e3a9ba90119 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO000146.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO000146.txt @@ -15,7 +15,7 @@ CH$LINK: CAS 2497-02-1 CH$LINK: CHEBI CHEBI:16437 CH$LINK: KEGG C02997 CH$LINK: NIKKAJI J125.811G -CH$LINK: PUBCHEM SID:5906 +CH$LINK: PUBCHEM CID:75619 CH$LINK: INCHIKEY KBOJOGQFRVVWBH-ZETCQYMHSA-N AC$INSTRUMENT: API3000, Applied Biosystems AC$INSTRUMENT_TYPE: LC-ESI-QQ diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO000147.txt b/Keio_Univ/MSBNK-Keio_Univ-KO000147.txt index 94c164887e6..4ed3d1f611a 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO000147.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO000147.txt @@ -15,7 +15,7 @@ CH$LINK: CAS 2497-02-1 CH$LINK: CHEBI CHEBI:16437 CH$LINK: KEGG C02997 CH$LINK: NIKKAJI J125.811G -CH$LINK: PUBCHEM SID:5906 +CH$LINK: PUBCHEM CID:75619 CH$LINK: INCHIKEY KBOJOGQFRVVWBH-ZETCQYMHSA-N AC$INSTRUMENT: API3000, Applied Biosystems AC$INSTRUMENT_TYPE: LC-ESI-QQ diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO000148.txt b/Keio_Univ/MSBNK-Keio_Univ-KO000148.txt index 0bad0cb7135..3908d4ae2f7 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO000148.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO000148.txt @@ -17,7 +17,7 @@ CH$LINK: CAS 124-04-9 CH$LINK: CHEBI CHEBI:30832 CH$LINK: KEGG C06104 CH$LINK: NIKKAJI J10.057I -CH$LINK: PUBCHEM SID:8368 +CH$LINK: PUBCHEM CID:196 CH$LINK: INCHIKEY WNLRTRBMVRJNCN-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID7021605 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO000149.txt b/Keio_Univ/MSBNK-Keio_Univ-KO000149.txt index 699f737fd28..650b6bac7d7 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO000149.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO000149.txt @@ -17,7 +17,7 @@ CH$LINK: CAS 124-04-9 CH$LINK: CHEBI CHEBI:30832 CH$LINK: KEGG C06104 CH$LINK: NIKKAJI J10.057I -CH$LINK: PUBCHEM SID:8368 +CH$LINK: PUBCHEM CID:196 CH$LINK: INCHIKEY WNLRTRBMVRJNCN-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID7021605 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO000150.txt b/Keio_Univ/MSBNK-Keio_Univ-KO000150.txt index 8228e282193..994b1cf781f 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO000150.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO000150.txt @@ -17,7 +17,7 @@ CH$LINK: CAS 124-04-9 CH$LINK: CHEBI CHEBI:30832 CH$LINK: KEGG C06104 CH$LINK: NIKKAJI J10.057I -CH$LINK: PUBCHEM SID:8368 +CH$LINK: PUBCHEM CID:196 CH$LINK: INCHIKEY WNLRTRBMVRJNCN-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID7021605 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO000151.txt b/Keio_Univ/MSBNK-Keio_Univ-KO000151.txt index fb464c8f812..8f618de4305 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO000151.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO000151.txt @@ -17,7 +17,7 @@ CH$LINK: CAS 124-04-9 CH$LINK: CHEBI CHEBI:30832 CH$LINK: KEGG C06104 CH$LINK: NIKKAJI J10.057I -CH$LINK: PUBCHEM SID:8368 +CH$LINK: PUBCHEM CID:196 CH$LINK: INCHIKEY WNLRTRBMVRJNCN-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID7021605 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO000152.txt b/Keio_Univ/MSBNK-Keio_Univ-KO000152.txt index 1acef97ece4..4e48bc7080a 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO000152.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO000152.txt @@ -17,7 +17,7 @@ CH$LINK: CAS 124-04-9 CH$LINK: CHEBI CHEBI:30832 CH$LINK: KEGG C06104 CH$LINK: NIKKAJI J10.057I -CH$LINK: PUBCHEM SID:8368 +CH$LINK: PUBCHEM CID:196 CH$LINK: INCHIKEY WNLRTRBMVRJNCN-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID7021605 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO000153.txt b/Keio_Univ/MSBNK-Keio_Univ-KO000153.txt index 87d0a9fa74d..ce242c0fc32 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO000153.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO000153.txt @@ -18,7 +18,7 @@ CH$LINK: HMDB HMDB00650 CH$LINK: KEGG C02261 CH$LINK: LIPIDMAPS LMFA01100043 CH$LINK: NIKKAJI J1.815E -CH$LINK: PUBCHEM SID:5323 +CH$LINK: PUBCHEM CID:439691 CH$LINK: INCHIKEY QWCKQJZIFLGMSD-GSVOUGTGSA-N AC$INSTRUMENT: API3000, Applied Biosystems AC$INSTRUMENT_TYPE: LC-ESI-QQ diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO000154.txt b/Keio_Univ/MSBNK-Keio_Univ-KO000154.txt index 9fc34a1af7c..8c72bdb0088 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO000154.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO000154.txt @@ -18,7 +18,7 @@ CH$LINK: HMDB HMDB00650 CH$LINK: KEGG C02261 CH$LINK: LIPIDMAPS LMFA01100043 CH$LINK: NIKKAJI J1.815E -CH$LINK: PUBCHEM SID:5323 +CH$LINK: PUBCHEM CID:439691 CH$LINK: INCHIKEY QWCKQJZIFLGMSD-GSVOUGTGSA-N AC$INSTRUMENT: API3000, Applied Biosystems AC$INSTRUMENT_TYPE: LC-ESI-QQ diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO000155.txt b/Keio_Univ/MSBNK-Keio_Univ-KO000155.txt index d5bf37b35d1..c47613efbae 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO000155.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO000155.txt @@ -18,7 +18,7 @@ CH$LINK: HMDB HMDB00650 CH$LINK: KEGG C02261 CH$LINK: LIPIDMAPS LMFA01100043 CH$LINK: NIKKAJI J1.815E -CH$LINK: PUBCHEM SID:5323 +CH$LINK: PUBCHEM CID:439691 CH$LINK: INCHIKEY QWCKQJZIFLGMSD-GSVOUGTGSA-N AC$INSTRUMENT: API3000, Applied Biosystems AC$INSTRUMENT_TYPE: LC-ESI-QQ diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO000156.txt b/Keio_Univ/MSBNK-Keio_Univ-KO000156.txt index b11b857347d..86b18b3c1dc 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO000156.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO000156.txt @@ -17,7 +17,7 @@ CH$LINK: CAS 3128-06-1 CH$LINK: CHEBI CHEBI:15888 CH$LINK: KEGG C02129 CH$LINK: NIKKAJI J56.059F -CH$LINK: PUBCHEM SID:5208 +CH$LINK: PUBCHEM CID:18407 CH$LINK: INCHIKEY MGTZCLMLSSAXLD-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID9062855 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO000157.txt b/Keio_Univ/MSBNK-Keio_Univ-KO000157.txt index c17e8ef59e1..08f59c7d148 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO000157.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO000157.txt @@ -17,7 +17,7 @@ CH$LINK: CAS 3128-06-1 CH$LINK: CHEBI CHEBI:15888 CH$LINK: KEGG C02129 CH$LINK: NIKKAJI J56.059F -CH$LINK: PUBCHEM SID:5208 +CH$LINK: PUBCHEM CID:18407 CH$LINK: INCHIKEY MGTZCLMLSSAXLD-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID9062855 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO000158.txt b/Keio_Univ/MSBNK-Keio_Univ-KO000158.txt index cb77c0d3c9f..73b06d3e5f2 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO000158.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO000158.txt @@ -17,7 +17,7 @@ CH$LINK: CAS 3128-06-1 CH$LINK: CHEBI CHEBI:15888 CH$LINK: KEGG C02129 CH$LINK: NIKKAJI J56.059F -CH$LINK: PUBCHEM SID:5208 +CH$LINK: PUBCHEM CID:18407 CH$LINK: INCHIKEY MGTZCLMLSSAXLD-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID9062855 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO000159.txt b/Keio_Univ/MSBNK-Keio_Univ-KO000159.txt index 9deee00d69a..837ccb2d26e 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO000159.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO000159.txt @@ -17,7 +17,7 @@ CH$LINK: CAS 3128-06-1 CH$LINK: CHEBI CHEBI:15888 CH$LINK: KEGG C02129 CH$LINK: NIKKAJI J56.059F -CH$LINK: PUBCHEM SID:5208 +CH$LINK: PUBCHEM CID:18407 CH$LINK: INCHIKEY MGTZCLMLSSAXLD-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID9062855 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO000160.txt b/Keio_Univ/MSBNK-Keio_Univ-KO000160.txt index f03ac3a347e..adfa7677156 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO000160.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO000160.txt @@ -17,7 +17,7 @@ CH$LINK: CAS 3128-06-1 CH$LINK: CHEBI CHEBI:15888 CH$LINK: KEGG C02129 CH$LINK: NIKKAJI J56.059F -CH$LINK: PUBCHEM SID:5208 +CH$LINK: PUBCHEM CID:18407 CH$LINK: INCHIKEY MGTZCLMLSSAXLD-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID9062855 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO000161.txt b/Keio_Univ/MSBNK-Keio_Univ-KO000161.txt index ed6968d08fd..287d877b88d 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO000161.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO000161.txt @@ -12,7 +12,7 @@ CH$EXACT_MASS: 153.09021 CH$SMILES: CC(=O)NCCC1=CN=CN1 CH$IUPAC: InChI=1S/C7H11N3O/c1-6(11)9-3-2-7-4-8-5-10-7/h4-5H,2-3H2,1H3,(H,8,10)(H,9,11) CH$LINK: KEGG C05135 -CH$LINK: PUBCHEM SID:7555 +CH$LINK: PUBCHEM CID:69602 CH$LINK: INCHIKEY XJWPISBUKWZALE-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID40217670 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO000162.txt b/Keio_Univ/MSBNK-Keio_Univ-KO000162.txt index 34a7d8730ad..89dd9a51d2c 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO000162.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO000162.txt @@ -12,7 +12,7 @@ CH$EXACT_MASS: 153.09021 CH$SMILES: CC(=O)NCCC1=CN=CN1 CH$IUPAC: InChI=1S/C7H11N3O/c1-6(11)9-3-2-7-4-8-5-10-7/h4-5H,2-3H2,1H3,(H,8,10)(H,9,11) CH$LINK: KEGG C05135 -CH$LINK: PUBCHEM SID:7555 +CH$LINK: PUBCHEM CID:69602 CH$LINK: INCHIKEY XJWPISBUKWZALE-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID40217670 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO000163.txt b/Keio_Univ/MSBNK-Keio_Univ-KO000163.txt index 4ada094f764..354d1996bfd 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO000163.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO000163.txt @@ -12,7 +12,7 @@ CH$EXACT_MASS: 153.09021 CH$SMILES: CC(=O)NCCC1=CN=CN1 CH$IUPAC: InChI=1S/C7H11N3O/c1-6(11)9-3-2-7-4-8-5-10-7/h4-5H,2-3H2,1H3,(H,8,10)(H,9,11) CH$LINK: KEGG C05135 -CH$LINK: PUBCHEM SID:7555 +CH$LINK: PUBCHEM CID:69602 CH$LINK: INCHIKEY XJWPISBUKWZALE-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID40217670 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO000164.txt b/Keio_Univ/MSBNK-Keio_Univ-KO000164.txt index dcc6c185ff4..40512a30dc4 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO000164.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO000164.txt @@ -12,7 +12,7 @@ CH$EXACT_MASS: 153.09021 CH$SMILES: CC(=O)NCCC1=CN=CN1 CH$IUPAC: InChI=1S/C7H11N3O/c1-6(11)9-3-2-7-4-8-5-10-7/h4-5H,2-3H2,1H3,(H,8,10)(H,9,11) CH$LINK: KEGG C05135 -CH$LINK: PUBCHEM SID:7555 +CH$LINK: PUBCHEM CID:69602 CH$LINK: INCHIKEY XJWPISBUKWZALE-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID40217670 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO000165.txt b/Keio_Univ/MSBNK-Keio_Univ-KO000165.txt index 722e35112df..8e47f588ccd 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO000165.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO000165.txt @@ -12,7 +12,7 @@ CH$EXACT_MASS: 153.09021 CH$SMILES: CC(=O)NCCC1=CN=CN1 CH$IUPAC: InChI=1S/C7H11N3O/c1-6(11)9-3-2-7-4-8-5-10-7/h4-5H,2-3H2,1H3,(H,8,10)(H,9,11) CH$LINK: KEGG C05135 -CH$LINK: PUBCHEM SID:7555 +CH$LINK: PUBCHEM CID:69602 CH$LINK: INCHIKEY XJWPISBUKWZALE-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID40217670 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO000166.txt b/Keio_Univ/MSBNK-Keio_Univ-KO000166.txt index cf6a4f90cd2..3ec1c5f049c 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO000166.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO000166.txt @@ -20,7 +20,7 @@ CH$LINK: CAS 542-32-5 CH$LINK: CHEBI CHEBI:17082 CH$LINK: KEGG C00956 CH$LINK: NIKKAJI J38.125J -CH$LINK: PUBCHEM SID:4207 +CH$LINK: PUBCHEM CID:92136 CH$LINK: INCHIKEY OYIFNHCXNCRBQI-BYPYZUCNSA-N AC$INSTRUMENT: API3000, Applied Biosystems AC$INSTRUMENT_TYPE: LC-ESI-QQ diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO000167.txt b/Keio_Univ/MSBNK-Keio_Univ-KO000167.txt index 0d289ad1bd5..95c8a6fdbb2 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO000167.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO000167.txt @@ -20,7 +20,7 @@ CH$LINK: CAS 542-32-5 CH$LINK: CHEBI CHEBI:17082 CH$LINK: KEGG C00956 CH$LINK: NIKKAJI J38.125J -CH$LINK: PUBCHEM SID:4207 +CH$LINK: PUBCHEM CID:92136 CH$LINK: INCHIKEY OYIFNHCXNCRBQI-BYPYZUCNSA-N AC$INSTRUMENT: API3000, Applied Biosystems AC$INSTRUMENT_TYPE: LC-ESI-QQ diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO000168.txt b/Keio_Univ/MSBNK-Keio_Univ-KO000168.txt index 01a9967f408..108519dfba7 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO000168.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO000168.txt @@ -20,7 +20,7 @@ CH$LINK: CAS 542-32-5 CH$LINK: CHEBI CHEBI:17082 CH$LINK: KEGG C00956 CH$LINK: NIKKAJI J38.125J -CH$LINK: PUBCHEM SID:4207 +CH$LINK: PUBCHEM CID:92136 CH$LINK: INCHIKEY OYIFNHCXNCRBQI-BYPYZUCNSA-N AC$INSTRUMENT: API3000, Applied Biosystems AC$INSTRUMENT_TYPE: LC-ESI-QQ diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO000169.txt b/Keio_Univ/MSBNK-Keio_Univ-KO000169.txt index 666ce119c64..6b0ba539185 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO000169.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO000169.txt @@ -20,7 +20,7 @@ CH$LINK: CAS 542-32-5 CH$LINK: CHEBI CHEBI:17082 CH$LINK: KEGG C00956 CH$LINK: NIKKAJI J38.125J -CH$LINK: PUBCHEM SID:4207 +CH$LINK: PUBCHEM CID:92136 CH$LINK: INCHIKEY OYIFNHCXNCRBQI-BYPYZUCNSA-N AC$INSTRUMENT: API3000, Applied Biosystems AC$INSTRUMENT_TYPE: LC-ESI-QQ diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO000170.txt b/Keio_Univ/MSBNK-Keio_Univ-KO000170.txt index 9fe7499e14a..bbb855e53ca 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO000170.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO000170.txt @@ -20,7 +20,7 @@ CH$LINK: CAS 542-32-5 CH$LINK: CHEBI CHEBI:17082 CH$LINK: KEGG C00956 CH$LINK: NIKKAJI J38.125J -CH$LINK: PUBCHEM SID:4207 +CH$LINK: PUBCHEM CID:92136 CH$LINK: INCHIKEY OYIFNHCXNCRBQI-BYPYZUCNSA-N AC$INSTRUMENT: API3000, Applied Biosystems AC$INSTRUMENT_TYPE: LC-ESI-QQ diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO000171.txt b/Keio_Univ/MSBNK-Keio_Univ-KO000171.txt index 384456d7ef9..0dc5d159c05 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO000171.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO000171.txt @@ -15,7 +15,7 @@ CH$LINK: CAS 4023-65-8 CH$LINK: CHEBI CHEBI:32806 CH$LINK: KEGG C02341 CH$LINK: NIKKAJI J79.903C -CH$LINK: PUBCHEM SID:5390 +CH$LINK: PUBCHEM CID:444212 CH$LINK: INCHIKEY GTZCVFVGUGFEME-HNQUOIGGSA-N CH$LINK: COMPTOX DTXSID1048706 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO000172.txt b/Keio_Univ/MSBNK-Keio_Univ-KO000172.txt index 0bf0434620c..a92a7270063 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO000172.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO000172.txt @@ -15,7 +15,7 @@ CH$LINK: CAS 4023-65-8 CH$LINK: CHEBI CHEBI:32806 CH$LINK: KEGG C02341 CH$LINK: NIKKAJI J79.903C -CH$LINK: PUBCHEM SID:5390 +CH$LINK: PUBCHEM CID:444212 CH$LINK: INCHIKEY GTZCVFVGUGFEME-HNQUOIGGSA-N CH$LINK: COMPTOX DTXSID1048706 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO000173.txt b/Keio_Univ/MSBNK-Keio_Univ-KO000173.txt index b28dd875dd8..b474d7d67a0 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO000173.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO000173.txt @@ -15,7 +15,7 @@ CH$LINK: CAS 4023-65-8 CH$LINK: CHEBI CHEBI:32806 CH$LINK: KEGG C02341 CH$LINK: NIKKAJI J79.903C -CH$LINK: PUBCHEM SID:5390 +CH$LINK: PUBCHEM CID:444212 CH$LINK: INCHIKEY GTZCVFVGUGFEME-HNQUOIGGSA-N CH$LINK: COMPTOX DTXSID1048706 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO000174.txt b/Keio_Univ/MSBNK-Keio_Univ-KO000174.txt index 1c786750bc0..daae1a5a5bd 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO000174.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO000174.txt @@ -15,7 +15,7 @@ CH$LINK: CAS 4023-65-8 CH$LINK: CHEBI CHEBI:32806 CH$LINK: KEGG C02341 CH$LINK: NIKKAJI J79.903C -CH$LINK: PUBCHEM SID:5390 +CH$LINK: PUBCHEM CID:444212 CH$LINK: INCHIKEY GTZCVFVGUGFEME-HNQUOIGGSA-N CH$LINK: COMPTOX DTXSID1048706 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO000175.txt b/Keio_Univ/MSBNK-Keio_Univ-KO000175.txt index 760a5a378bf..a34d0ce1b37 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO000175.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO000175.txt @@ -15,7 +15,7 @@ CH$LINK: CAS 4023-65-8 CH$LINK: CHEBI CHEBI:32806 CH$LINK: KEGG C02341 CH$LINK: NIKKAJI J79.903C -CH$LINK: PUBCHEM SID:5390 +CH$LINK: PUBCHEM CID:444212 CH$LINK: INCHIKEY GTZCVFVGUGFEME-HNQUOIGGSA-N CH$LINK: COMPTOX DTXSID1048706 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO000176.txt b/Keio_Univ/MSBNK-Keio_Univ-KO000176.txt index 8a93455e772..8b14896352a 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO000176.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO000176.txt @@ -13,7 +13,7 @@ CH$SMILES: OC[C@@H](O1)[C@@H](O)[C@H](O)[C@@H](NC(C)=O)[C@H]1OP(O)(O)=O CH$IUPAC: InChI=1S/C8H16NO9P/c1-3(11)9-5-7(13)6(12)4(2-10)17-8(5)18-19(14,15)16/h4-8,10,12-13H,2H2,1H3,(H,9,11)(H2,14,15,16)/t4-,5-,6-,7-,8-/m1/s1 CH$LINK: CHEBI CHEBI:16446 CH$LINK: KEGG C04501 -CH$LINK: PUBCHEM SID:7115 +CH$LINK: PUBCHEM CID:440364 CH$LINK: INCHIKEY FZLJPEPAYPUMMR-FMDGEEDCSA-N CH$LINK: COMPTOX DTXSID00179902 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO000177.txt b/Keio_Univ/MSBNK-Keio_Univ-KO000177.txt index 3cd8beda8fe..8131038a65c 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO000177.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO000177.txt @@ -13,7 +13,7 @@ CH$SMILES: OC[C@@H](O1)[C@@H](O)[C@H](O)[C@@H](NC(C)=O)[C@H]1OP(O)(O)=O CH$IUPAC: InChI=1S/C8H16NO9P/c1-3(11)9-5-7(13)6(12)4(2-10)17-8(5)18-19(14,15)16/h4-8,10,12-13H,2H2,1H3,(H,9,11)(H2,14,15,16)/t4-,5-,6-,7-,8-/m1/s1 CH$LINK: CHEBI CHEBI:16446 CH$LINK: KEGG C04501 -CH$LINK: PUBCHEM SID:7115 +CH$LINK: PUBCHEM CID:440364 CH$LINK: INCHIKEY FZLJPEPAYPUMMR-FMDGEEDCSA-N CH$LINK: COMPTOX DTXSID00179902 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO000178.txt b/Keio_Univ/MSBNK-Keio_Univ-KO000178.txt index 8208dc826c0..a758d462544 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO000178.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO000178.txt @@ -13,7 +13,7 @@ CH$SMILES: OC[C@@H](O1)[C@@H](O)[C@H](O)[C@@H](NC(C)=O)[C@H]1OP(O)(O)=O CH$IUPAC: InChI=1S/C8H16NO9P/c1-3(11)9-5-7(13)6(12)4(2-10)17-8(5)18-19(14,15)16/h4-8,10,12-13H,2H2,1H3,(H,9,11)(H2,14,15,16)/t4-,5-,6-,7-,8-/m1/s1 CH$LINK: CHEBI CHEBI:16446 CH$LINK: KEGG C04501 -CH$LINK: PUBCHEM SID:7115 +CH$LINK: PUBCHEM CID:440364 CH$LINK: INCHIKEY FZLJPEPAYPUMMR-FMDGEEDCSA-N CH$LINK: COMPTOX DTXSID00179902 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO000179.txt b/Keio_Univ/MSBNK-Keio_Univ-KO000179.txt index e4106ce8773..093db4ebb54 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO000179.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO000179.txt @@ -13,7 +13,7 @@ CH$SMILES: OC[C@@H](O1)[C@@H](O)[C@H](O)[C@@H](NC(C)=O)[C@H]1OP(O)(O)=O CH$IUPAC: InChI=1S/C8H16NO9P/c1-3(11)9-5-7(13)6(12)4(2-10)17-8(5)18-19(14,15)16/h4-8,10,12-13H,2H2,1H3,(H,9,11)(H2,14,15,16)/t4-,5-,6-,7-,8-/m1/s1 CH$LINK: CHEBI CHEBI:16446 CH$LINK: KEGG C04501 -CH$LINK: PUBCHEM SID:7115 +CH$LINK: PUBCHEM CID:440364 CH$LINK: INCHIKEY FZLJPEPAYPUMMR-FMDGEEDCSA-N CH$LINK: COMPTOX DTXSID00179902 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO000180.txt b/Keio_Univ/MSBNK-Keio_Univ-KO000180.txt index df4b49f368f..3163c28fbd0 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO000180.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO000180.txt @@ -13,7 +13,7 @@ CH$SMILES: OC[C@@H](O1)[C@@H](O)[C@H](O)[C@@H](NC(C)=O)[C@H]1OP(O)(O)=O CH$IUPAC: InChI=1S/C8H16NO9P/c1-3(11)9-5-7(13)6(12)4(2-10)17-8(5)18-19(14,15)16/h4-8,10,12-13H,2H2,1H3,(H,9,11)(H2,14,15,16)/t4-,5-,6-,7-,8-/m1/s1 CH$LINK: CHEBI CHEBI:16446 CH$LINK: KEGG C04501 -CH$LINK: PUBCHEM SID:7115 +CH$LINK: PUBCHEM CID:440364 CH$LINK: INCHIKEY FZLJPEPAYPUMMR-FMDGEEDCSA-N CH$LINK: COMPTOX DTXSID00179902 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO000181.txt b/Keio_Univ/MSBNK-Keio_Univ-KO000181.txt index beb6edccbd0..42578b7fc91 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO000181.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO000181.txt @@ -13,7 +13,7 @@ CH$EXACT_MASS: 217.14264 CH$SMILES: NCCCC[C@@H](C(O)=O)NC(=O)CCN CH$IUPAC: InChI=1S/C9H19N3O3/c10-5-2-1-3-7(9(14)15)12-8(13)4-6-11/h7H,1-6,10-11H2,(H,12,13)(H,14,15)/t7-/m0/s1 CH$LINK: KEGG C05341 -CH$LINK: PUBCHEM SID:7719 +CH$LINK: PUBCHEM CID:440638 CH$LINK: INCHIKEY PLDCWKCPEXNWJH-ZETCQYMHSA-N AC$INSTRUMENT: API3000, Applied Biosystems AC$INSTRUMENT_TYPE: LC-ESI-QQ diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO000182.txt b/Keio_Univ/MSBNK-Keio_Univ-KO000182.txt index ec71ef915b3..61c1e5aacfa 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO000182.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO000182.txt @@ -13,7 +13,7 @@ CH$EXACT_MASS: 217.14264 CH$SMILES: NCCCC[C@@H](C(O)=O)NC(=O)CCN CH$IUPAC: InChI=1S/C9H19N3O3/c10-5-2-1-3-7(9(14)15)12-8(13)4-6-11/h7H,1-6,10-11H2,(H,12,13)(H,14,15)/t7-/m0/s1 CH$LINK: KEGG C05341 -CH$LINK: PUBCHEM SID:7719 +CH$LINK: PUBCHEM CID:440638 CH$LINK: INCHIKEY PLDCWKCPEXNWJH-ZETCQYMHSA-N AC$INSTRUMENT: API3000, Applied Biosystems AC$INSTRUMENT_TYPE: LC-ESI-QQ diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO000183.txt b/Keio_Univ/MSBNK-Keio_Univ-KO000183.txt index 0427d124cee..415aa7fafb8 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO000183.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO000183.txt @@ -13,7 +13,7 @@ CH$EXACT_MASS: 217.14264 CH$SMILES: NCCCC[C@@H](C(O)=O)NC(=O)CCN CH$IUPAC: InChI=1S/C9H19N3O3/c10-5-2-1-3-7(9(14)15)12-8(13)4-6-11/h7H,1-6,10-11H2,(H,12,13)(H,14,15)/t7-/m0/s1 CH$LINK: KEGG C05341 -CH$LINK: PUBCHEM SID:7719 +CH$LINK: PUBCHEM CID:440638 CH$LINK: INCHIKEY PLDCWKCPEXNWJH-ZETCQYMHSA-N AC$INSTRUMENT: API3000, Applied Biosystems AC$INSTRUMENT_TYPE: LC-ESI-QQ diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO000184.txt b/Keio_Univ/MSBNK-Keio_Univ-KO000184.txt index 914f6e20299..9b3427f7689 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO000184.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO000184.txt @@ -13,7 +13,7 @@ CH$EXACT_MASS: 217.14264 CH$SMILES: NCCCC[C@@H](C(O)=O)NC(=O)CCN CH$IUPAC: InChI=1S/C9H19N3O3/c10-5-2-1-3-7(9(14)15)12-8(13)4-6-11/h7H,1-6,10-11H2,(H,12,13)(H,14,15)/t7-/m0/s1 CH$LINK: KEGG C05341 -CH$LINK: PUBCHEM SID:7719 +CH$LINK: PUBCHEM CID:440638 CH$LINK: INCHIKEY PLDCWKCPEXNWJH-ZETCQYMHSA-N AC$INSTRUMENT: API3000, Applied Biosystems AC$INSTRUMENT_TYPE: LC-ESI-QQ diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO000185.txt b/Keio_Univ/MSBNK-Keio_Univ-KO000185.txt index 715230f841b..60170edfb27 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO000185.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO000185.txt @@ -13,7 +13,7 @@ CH$EXACT_MASS: 217.14264 CH$SMILES: NCCCC[C@@H](C(O)=O)NC(=O)CCN CH$IUPAC: InChI=1S/C9H19N3O3/c10-5-2-1-3-7(9(14)15)12-8(13)4-6-11/h7H,1-6,10-11H2,(H,12,13)(H,14,15)/t7-/m0/s1 CH$LINK: KEGG C05341 -CH$LINK: PUBCHEM SID:7719 +CH$LINK: PUBCHEM CID:440638 CH$LINK: INCHIKEY PLDCWKCPEXNWJH-ZETCQYMHSA-N AC$INSTRUMENT: API3000, Applied Biosystems AC$INSTRUMENT_TYPE: LC-ESI-QQ diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO000186.txt b/Keio_Univ/MSBNK-Keio_Univ-KO000186.txt index 50639b74c83..12750a4c017 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO000186.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO000186.txt @@ -18,7 +18,7 @@ CH$LINK: CAS 142-45-0 CH$LINK: CHEBI CHEBI:30781 CH$LINK: KEGG C03248 CH$LINK: NIKKAJI J2.544E -CH$LINK: PUBCHEM SID:6117 +CH$LINK: PUBCHEM CID:371 CH$LINK: INCHIKEY YTIVTFGABIZHHX-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID3059715 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO000187.txt b/Keio_Univ/MSBNK-Keio_Univ-KO000187.txt index c37d6a6b53e..6019aaa59ad 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO000187.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO000187.txt @@ -18,7 +18,7 @@ CH$LINK: CAS 142-45-0 CH$LINK: CHEBI CHEBI:30781 CH$LINK: KEGG C03248 CH$LINK: NIKKAJI J2.544E -CH$LINK: PUBCHEM SID:6117 +CH$LINK: PUBCHEM CID:371 CH$LINK: INCHIKEY YTIVTFGABIZHHX-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID3059715 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO000188.txt b/Keio_Univ/MSBNK-Keio_Univ-KO000188.txt index 1bf0592d8d0..16d1115349d 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO000188.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO000188.txt @@ -18,7 +18,7 @@ CH$LINK: CAS 142-45-0 CH$LINK: CHEBI CHEBI:30781 CH$LINK: KEGG C03248 CH$LINK: NIKKAJI J2.544E -CH$LINK: PUBCHEM SID:6117 +CH$LINK: PUBCHEM CID:371 CH$LINK: INCHIKEY YTIVTFGABIZHHX-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID3059715 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO000189.txt b/Keio_Univ/MSBNK-Keio_Univ-KO000189.txt index 79c50b3da2f..d1f2b0559e9 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO000189.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO000189.txt @@ -18,7 +18,7 @@ CH$LINK: CAS 142-45-0 CH$LINK: CHEBI CHEBI:30781 CH$LINK: KEGG C03248 CH$LINK: NIKKAJI J2.544E -CH$LINK: PUBCHEM SID:6117 +CH$LINK: PUBCHEM CID:371 CH$LINK: INCHIKEY YTIVTFGABIZHHX-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID3059715 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO000190.txt b/Keio_Univ/MSBNK-Keio_Univ-KO000190.txt index 5b4b1b1ce8c..8241446a357 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO000190.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO000190.txt @@ -14,7 +14,7 @@ CH$IUPAC: InChI=1S/C7H7NO3/c8-4-1-2-5(7(10)11)6(9)3-4/h1-3,9H,8H2,(H,10,11) CH$LINK: CAS 65-49-6 CH$LINK: KEGG C02518 CH$LINK: NIKKAJI J4.838K -CH$LINK: PUBCHEM SID:5528 +CH$LINK: PUBCHEM CID:4649 CH$LINK: INCHIKEY WUBBRNOQWQTFEX-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID2022591 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO000191.txt b/Keio_Univ/MSBNK-Keio_Univ-KO000191.txt index 9cb2d5b73ed..aa953bfc3b8 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO000191.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO000191.txt @@ -14,7 +14,7 @@ CH$IUPAC: InChI=1S/C7H7NO3/c8-4-1-2-5(7(10)11)6(9)3-4/h1-3,9H,8H2,(H,10,11) CH$LINK: CAS 65-49-6 CH$LINK: KEGG C02518 CH$LINK: NIKKAJI J4.838K -CH$LINK: PUBCHEM SID:5528 +CH$LINK: PUBCHEM CID:4649 CH$LINK: INCHIKEY WUBBRNOQWQTFEX-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID2022591 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO000192.txt b/Keio_Univ/MSBNK-Keio_Univ-KO000192.txt index 9dde65eeac0..1635f50198b 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO000192.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO000192.txt @@ -14,7 +14,7 @@ CH$IUPAC: InChI=1S/C7H7NO3/c8-4-1-2-5(7(10)11)6(9)3-4/h1-3,9H,8H2,(H,10,11) CH$LINK: CAS 65-49-6 CH$LINK: KEGG C02518 CH$LINK: NIKKAJI J4.838K -CH$LINK: PUBCHEM SID:5528 +CH$LINK: PUBCHEM CID:4649 CH$LINK: INCHIKEY WUBBRNOQWQTFEX-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID2022591 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO000193.txt b/Keio_Univ/MSBNK-Keio_Univ-KO000193.txt index 8137e4c77e3..80c67453de8 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO000193.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO000193.txt @@ -14,7 +14,7 @@ CH$IUPAC: InChI=1S/C7H7NO3/c8-4-1-2-5(7(10)11)6(9)3-4/h1-3,9H,8H2,(H,10,11) CH$LINK: CAS 65-49-6 CH$LINK: KEGG C02518 CH$LINK: NIKKAJI J4.838K -CH$LINK: PUBCHEM SID:5528 +CH$LINK: PUBCHEM CID:4649 CH$LINK: INCHIKEY WUBBRNOQWQTFEX-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID2022591 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO000194.txt b/Keio_Univ/MSBNK-Keio_Univ-KO000194.txt index 7321d83f91f..fffb4f6cbb0 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO000194.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO000194.txt @@ -14,7 +14,7 @@ CH$IUPAC: InChI=1S/C7H7NO3/c8-4-1-2-5(7(10)11)6(9)3-4/h1-3,9H,8H2,(H,10,11) CH$LINK: CAS 65-49-6 CH$LINK: KEGG C02518 CH$LINK: NIKKAJI J4.838K -CH$LINK: PUBCHEM SID:5528 +CH$LINK: PUBCHEM CID:4649 CH$LINK: INCHIKEY WUBBRNOQWQTFEX-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID2022591 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO000195.txt b/Keio_Univ/MSBNK-Keio_Univ-KO000195.txt index f5208c0f36c..4880e90c492 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO000195.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO000195.txt @@ -15,7 +15,7 @@ CH$LINK: CAS 103-84-4 CH$LINK: CHEBI CHEBI:28884 CH$LINK: KEGG C07565 CH$LINK: NIKKAJI J4.023A -CH$LINK: PUBCHEM SID:9768 +CH$LINK: PUBCHEM CID:904 CH$LINK: INCHIKEY FZERHIULMFGESH-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID2022543 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO000196.txt b/Keio_Univ/MSBNK-Keio_Univ-KO000196.txt index 5e8ea04503a..5c316f03a4d 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO000196.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO000196.txt @@ -15,7 +15,7 @@ CH$LINK: CAS 103-84-4 CH$LINK: CHEBI CHEBI:28884 CH$LINK: KEGG C07565 CH$LINK: NIKKAJI J4.023A -CH$LINK: PUBCHEM SID:9768 +CH$LINK: PUBCHEM CID:904 CH$LINK: INCHIKEY FZERHIULMFGESH-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID2022543 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO000197.txt b/Keio_Univ/MSBNK-Keio_Univ-KO000197.txt index a091df92700..6f4cc7166f2 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO000197.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO000197.txt @@ -15,7 +15,7 @@ CH$LINK: CAS 103-84-4 CH$LINK: CHEBI CHEBI:28884 CH$LINK: KEGG C07565 CH$LINK: NIKKAJI J4.023A -CH$LINK: PUBCHEM SID:9768 +CH$LINK: PUBCHEM CID:904 CH$LINK: INCHIKEY FZERHIULMFGESH-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID2022543 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO000198.txt b/Keio_Univ/MSBNK-Keio_Univ-KO000198.txt index ca088fb223b..9c9a968e6e8 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO000198.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO000198.txt @@ -15,7 +15,7 @@ CH$LINK: CAS 103-84-4 CH$LINK: CHEBI CHEBI:28884 CH$LINK: KEGG C07565 CH$LINK: NIKKAJI J4.023A -CH$LINK: PUBCHEM SID:9768 +CH$LINK: PUBCHEM CID:904 CH$LINK: INCHIKEY FZERHIULMFGESH-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID2022543 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO000199.txt b/Keio_Univ/MSBNK-Keio_Univ-KO000199.txt index e9f20373a25..b7109947883 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO000199.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO000199.txt @@ -15,7 +15,7 @@ CH$LINK: CAS 103-84-4 CH$LINK: CHEBI CHEBI:28884 CH$LINK: KEGG C07565 CH$LINK: NIKKAJI J4.023A -CH$LINK: PUBCHEM SID:9768 +CH$LINK: PUBCHEM CID:904 CH$LINK: INCHIKEY FZERHIULMFGESH-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID2022543 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO000200.txt b/Keio_Univ/MSBNK-Keio_Univ-KO000200.txt index fd541c58582..df4bd4161c5 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO000200.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO000200.txt @@ -13,7 +13,7 @@ CH$EXACT_MASS: 169.01401 CH$SMILES: NC(C(O)=O)CP(O)(O)=O CH$IUPAC: InChI=1S/C3H8NO5P/c4-2(3(5)6)1-10(7,8)9/h2H,1,4H2,(H,5,6)(H2,7,8,9) CH$LINK: KEGG C05672 -CH$LINK: PUBCHEM SID:7979 +CH$LINK: PUBCHEM CID:3857 CH$LINK: INCHIKEY LBTABPSJONFLPO-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID40863590 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO000201.txt b/Keio_Univ/MSBNK-Keio_Univ-KO000201.txt index 0bcdda774f5..761a7ce8ba9 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO000201.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO000201.txt @@ -13,7 +13,7 @@ CH$EXACT_MASS: 169.01401 CH$SMILES: NC(C(O)=O)CP(O)(O)=O CH$IUPAC: InChI=1S/C3H8NO5P/c4-2(3(5)6)1-10(7,8)9/h2H,1,4H2,(H,5,6)(H2,7,8,9) CH$LINK: KEGG C05672 -CH$LINK: PUBCHEM SID:7979 +CH$LINK: PUBCHEM CID:3857 CH$LINK: INCHIKEY LBTABPSJONFLPO-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID40863590 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO000202.txt b/Keio_Univ/MSBNK-Keio_Univ-KO000202.txt index 4b3616910b4..a854e1a083e 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO000202.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO000202.txt @@ -13,7 +13,7 @@ CH$EXACT_MASS: 169.01401 CH$SMILES: NC(C(O)=O)CP(O)(O)=O CH$IUPAC: InChI=1S/C3H8NO5P/c4-2(3(5)6)1-10(7,8)9/h2H,1,4H2,(H,5,6)(H2,7,8,9) CH$LINK: KEGG C05672 -CH$LINK: PUBCHEM SID:7979 +CH$LINK: PUBCHEM CID:3857 CH$LINK: INCHIKEY LBTABPSJONFLPO-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID40863590 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO000203.txt b/Keio_Univ/MSBNK-Keio_Univ-KO000203.txt index 8114bac813a..554d5cdfe4f 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO000203.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO000203.txt @@ -13,7 +13,7 @@ CH$EXACT_MASS: 169.01401 CH$SMILES: NC(C(O)=O)CP(O)(O)=O CH$IUPAC: InChI=1S/C3H8NO5P/c4-2(3(5)6)1-10(7,8)9/h2H,1,4H2,(H,5,6)(H2,7,8,9) CH$LINK: KEGG C05672 -CH$LINK: PUBCHEM SID:7979 +CH$LINK: PUBCHEM CID:3857 CH$LINK: INCHIKEY LBTABPSJONFLPO-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID40863590 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO000204.txt b/Keio_Univ/MSBNK-Keio_Univ-KO000204.txt index de2d090156d..68492338a02 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO000204.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO000204.txt @@ -13,7 +13,7 @@ CH$EXACT_MASS: 169.01401 CH$SMILES: NC(C(O)=O)CP(O)(O)=O CH$IUPAC: InChI=1S/C3H8NO5P/c4-2(3(5)6)1-10(7,8)9/h2H,1,4H2,(H,5,6)(H2,7,8,9) CH$LINK: KEGG C05672 -CH$LINK: PUBCHEM SID:7979 +CH$LINK: PUBCHEM CID:3857 CH$LINK: INCHIKEY LBTABPSJONFLPO-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID40863590 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO000205.txt b/Keio_Univ/MSBNK-Keio_Univ-KO000205.txt index e7b4ba971ad..8007ecd363c 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO000205.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO000205.txt @@ -22,7 +22,7 @@ CH$LINK: CAS 3031-94-5 CH$LINK: CHEBI CHEBI:18406 CH$LINK: KEGG C04677 CH$LINK: NIKKAJI J7.665A -CH$LINK: PUBCHEM SID:7258 +CH$LINK: PUBCHEM CID:65110 CH$LINK: INCHIKEY NOTGFIUVDGNKRI-UUOKFMHZSA-N CH$LINK: COMPTOX DTXSID10904363 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO000206.txt b/Keio_Univ/MSBNK-Keio_Univ-KO000206.txt index 0c598189971..b635a842d4a 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO000206.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO000206.txt @@ -22,7 +22,7 @@ CH$LINK: CAS 3031-94-5 CH$LINK: CHEBI CHEBI:18406 CH$LINK: KEGG C04677 CH$LINK: NIKKAJI J7.665A -CH$LINK: PUBCHEM SID:7258 +CH$LINK: PUBCHEM CID:65110 CH$LINK: INCHIKEY NOTGFIUVDGNKRI-UUOKFMHZSA-N CH$LINK: COMPTOX DTXSID10904363 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO000207.txt b/Keio_Univ/MSBNK-Keio_Univ-KO000207.txt index 01b09d9cd06..d63e764cef9 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO000207.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO000207.txt @@ -22,7 +22,7 @@ CH$LINK: CAS 3031-94-5 CH$LINK: CHEBI CHEBI:18406 CH$LINK: KEGG C04677 CH$LINK: NIKKAJI J7.665A -CH$LINK: PUBCHEM SID:7258 +CH$LINK: PUBCHEM CID:65110 CH$LINK: INCHIKEY NOTGFIUVDGNKRI-UUOKFMHZSA-N CH$LINK: COMPTOX DTXSID10904363 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO000208.txt b/Keio_Univ/MSBNK-Keio_Univ-KO000208.txt index 3d322571b99..9d199a53ed6 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO000208.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO000208.txt @@ -22,7 +22,7 @@ CH$LINK: CAS 3031-94-5 CH$LINK: CHEBI CHEBI:18406 CH$LINK: KEGG C04677 CH$LINK: NIKKAJI J7.665A -CH$LINK: PUBCHEM SID:7258 +CH$LINK: PUBCHEM CID:65110 CH$LINK: INCHIKEY NOTGFIUVDGNKRI-UUOKFMHZSA-N CH$LINK: COMPTOX DTXSID10904363 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO000209.txt b/Keio_Univ/MSBNK-Keio_Univ-KO000209.txt index 813b10f8029..a4a84579c43 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO000209.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO000209.txt @@ -22,7 +22,7 @@ CH$LINK: CAS 3031-94-5 CH$LINK: CHEBI CHEBI:18406 CH$LINK: KEGG C04677 CH$LINK: NIKKAJI J7.665A -CH$LINK: PUBCHEM SID:7258 +CH$LINK: PUBCHEM CID:65110 CH$LINK: INCHIKEY NOTGFIUVDGNKRI-UUOKFMHZSA-N CH$LINK: COMPTOX DTXSID10904363 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO000210.txt b/Keio_Univ/MSBNK-Keio_Univ-KO000210.txt index 5724d3b7560..585bb6abb31 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO000210.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO000210.txt @@ -16,7 +16,7 @@ CH$LINK: CAS 660-88-8 CH$LINK: CHEBI CHEBI:15887 CH$LINK: KEGG C00431 CH$LINK: NIKKAJI J38.132B -CH$LINK: PUBCHEM SID:3720 +CH$LINK: PUBCHEM CID:138 CH$LINK: INCHIKEY JJMDCOVWQOJGCB-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID70216212 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO000211.txt b/Keio_Univ/MSBNK-Keio_Univ-KO000211.txt index 15650daf127..be7d99a66db 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO000211.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO000211.txt @@ -16,7 +16,7 @@ CH$LINK: CAS 660-88-8 CH$LINK: CHEBI CHEBI:15887 CH$LINK: KEGG C00431 CH$LINK: NIKKAJI J38.132B -CH$LINK: PUBCHEM SID:3720 +CH$LINK: PUBCHEM CID:138 CH$LINK: INCHIKEY JJMDCOVWQOJGCB-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID70216212 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO000212.txt b/Keio_Univ/MSBNK-Keio_Univ-KO000212.txt index b9ed8ca9392..8424a1b5071 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO000212.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO000212.txt @@ -16,7 +16,7 @@ CH$LINK: CAS 660-88-8 CH$LINK: CHEBI CHEBI:15887 CH$LINK: KEGG C00431 CH$LINK: NIKKAJI J38.132B -CH$LINK: PUBCHEM SID:3720 +CH$LINK: PUBCHEM CID:138 CH$LINK: INCHIKEY JJMDCOVWQOJGCB-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID70216212 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO000213.txt b/Keio_Univ/MSBNK-Keio_Univ-KO000213.txt index e8d90b1eb92..d0a36151639 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO000213.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO000213.txt @@ -12,7 +12,7 @@ CH$EXACT_MASS: 126.05416 CH$SMILES: C1=NC(=C(N1)C(=O)N)N CH$IUPAC: InChI=1S/C4H6N4O/c5-3-2(4(6)9)7-1-8-3/h1H,5H2,(H2,6,9)(H,7,8) CH$LINK: KEGG C04051 -CH$LINK: PUBCHEM SID:6752 +CH$LINK: PUBCHEM CID:9679 CH$LINK: INCHIKEY DVNYTAVYBRSTGK-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID8059891 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO000214.txt b/Keio_Univ/MSBNK-Keio_Univ-KO000214.txt index 15366d9cfde..db6409c7efb 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO000214.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO000214.txt @@ -12,7 +12,7 @@ CH$EXACT_MASS: 126.05416 CH$SMILES: C1=NC(=C(N1)C(=O)N)N CH$IUPAC: InChI=1S/C4H6N4O/c5-3-2(4(6)9)7-1-8-3/h1H,5H2,(H2,6,9)(H,7,8) CH$LINK: KEGG C04051 -CH$LINK: PUBCHEM SID:6752 +CH$LINK: PUBCHEM CID:9679 CH$LINK: INCHIKEY DVNYTAVYBRSTGK-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID8059891 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO000215.txt b/Keio_Univ/MSBNK-Keio_Univ-KO000215.txt index 833e8f76b3c..5fc9fc962f2 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO000215.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO000215.txt @@ -12,7 +12,7 @@ CH$EXACT_MASS: 126.05416 CH$SMILES: C1=NC(=C(N1)C(=O)N)N CH$IUPAC: InChI=1S/C4H6N4O/c5-3-2(4(6)9)7-1-8-3/h1H,5H2,(H2,6,9)(H,7,8) CH$LINK: KEGG C04051 -CH$LINK: PUBCHEM SID:6752 +CH$LINK: PUBCHEM CID:9679 CH$LINK: INCHIKEY DVNYTAVYBRSTGK-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID8059891 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO000216.txt b/Keio_Univ/MSBNK-Keio_Univ-KO000216.txt index 7fbaeece654..da385c91176 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO000216.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO000216.txt @@ -12,7 +12,7 @@ CH$EXACT_MASS: 126.05416 CH$SMILES: C1=NC(=C(N1)C(=O)N)N CH$IUPAC: InChI=1S/C4H6N4O/c5-3-2(4(6)9)7-1-8-3/h1H,5H2,(H2,6,9)(H,7,8) CH$LINK: KEGG C04051 -CH$LINK: PUBCHEM SID:6752 +CH$LINK: PUBCHEM CID:9679 CH$LINK: INCHIKEY DVNYTAVYBRSTGK-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID8059891 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO000217.txt b/Keio_Univ/MSBNK-Keio_Univ-KO000217.txt index 39a8c8d2c2f..9bee18b2391 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO000217.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO000217.txt @@ -12,7 +12,7 @@ CH$EXACT_MASS: 126.05416 CH$SMILES: C1=NC(=C(N1)C(=O)N)N CH$IUPAC: InChI=1S/C4H6N4O/c5-3-2(4(6)9)7-1-8-3/h1H,5H2,(H2,6,9)(H,7,8) CH$LINK: KEGG C04051 -CH$LINK: PUBCHEM SID:6752 +CH$LINK: PUBCHEM CID:9679 CH$LINK: INCHIKEY DVNYTAVYBRSTGK-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID8059891 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO000218.txt b/Keio_Univ/MSBNK-Keio_Univ-KO000218.txt index e869afaf410..d7f8975795d 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO000218.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO000218.txt @@ -15,7 +15,7 @@ CH$LINK: CAS 3025-95-4 CH$LINK: CHEBI CHEBI:16682 CH$LINK: KEGG C01073 CH$LINK: NIKKAJI J135.888J -CH$LINK: PUBCHEM SID:4311 +CH$LINK: PUBCHEM CID:76406 CH$LINK: INCHIKEY LJLLAWRMBZNPMO-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID90184343 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO000219.txt b/Keio_Univ/MSBNK-Keio_Univ-KO000219.txt index 7b17813333a..f0efe490924 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO000219.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO000219.txt @@ -15,7 +15,7 @@ CH$LINK: CAS 3025-95-4 CH$LINK: CHEBI CHEBI:16682 CH$LINK: KEGG C01073 CH$LINK: NIKKAJI J135.888J -CH$LINK: PUBCHEM SID:4311 +CH$LINK: PUBCHEM CID:76406 CH$LINK: INCHIKEY LJLLAWRMBZNPMO-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID90184343 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO000220.txt b/Keio_Univ/MSBNK-Keio_Univ-KO000220.txt index dceee02066d..0f06b76bcc9 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO000220.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO000220.txt @@ -15,7 +15,7 @@ CH$LINK: CAS 3025-95-4 CH$LINK: CHEBI CHEBI:16682 CH$LINK: KEGG C01073 CH$LINK: NIKKAJI J135.888J -CH$LINK: PUBCHEM SID:4311 +CH$LINK: PUBCHEM CID:76406 CH$LINK: INCHIKEY LJLLAWRMBZNPMO-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID90184343 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO000221.txt b/Keio_Univ/MSBNK-Keio_Univ-KO000221.txt index bee3d0d757d..4d0b3411ae2 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO000221.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO000221.txt @@ -15,7 +15,7 @@ CH$LINK: CAS 3025-95-4 CH$LINK: CHEBI CHEBI:16682 CH$LINK: KEGG C01073 CH$LINK: NIKKAJI J135.888J -CH$LINK: PUBCHEM SID:4311 +CH$LINK: PUBCHEM CID:76406 CH$LINK: INCHIKEY LJLLAWRMBZNPMO-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID90184343 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO000222.txt b/Keio_Univ/MSBNK-Keio_Univ-KO000222.txt index fc903f0b1e4..3b26b358251 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO000222.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO000222.txt @@ -15,7 +15,7 @@ CH$LINK: CAS 3025-95-4 CH$LINK: CHEBI CHEBI:16682 CH$LINK: KEGG C01073 CH$LINK: NIKKAJI J135.888J -CH$LINK: PUBCHEM SID:4311 +CH$LINK: PUBCHEM CID:76406 CH$LINK: INCHIKEY LJLLAWRMBZNPMO-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID90184343 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO000223.txt b/Keio_Univ/MSBNK-Keio_Univ-KO000223.txt index d2b28413090..a758b4bc703 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO000223.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO000223.txt @@ -15,7 +15,7 @@ CH$LINK: CAS 99-16-1 CH$LINK: CHEBI CHEBI:30837 CH$LINK: KEGG C00499 CH$LINK: NIKKAJI J11.619J -CH$LINK: PUBCHEM SID:3782 +CH$LINK: PUBCHEM CID:203 CH$LINK: INCHIKEY NUCLJNSWZCHRKL-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID3059187 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO000224.txt b/Keio_Univ/MSBNK-Keio_Univ-KO000224.txt index d3c1008efb9..c347c6f5fea 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO000224.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO000224.txt @@ -15,7 +15,7 @@ CH$LINK: CAS 99-16-1 CH$LINK: CHEBI CHEBI:30837 CH$LINK: KEGG C00499 CH$LINK: NIKKAJI J11.619J -CH$LINK: PUBCHEM SID:3782 +CH$LINK: PUBCHEM CID:203 CH$LINK: INCHIKEY NUCLJNSWZCHRKL-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID3059187 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO000225.txt b/Keio_Univ/MSBNK-Keio_Univ-KO000225.txt index 9bd8e25c5d6..d10312b90bf 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO000225.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO000225.txt @@ -15,7 +15,7 @@ CH$LINK: CAS 99-16-1 CH$LINK: CHEBI CHEBI:30837 CH$LINK: KEGG C00499 CH$LINK: NIKKAJI J11.619J -CH$LINK: PUBCHEM SID:3782 +CH$LINK: PUBCHEM CID:203 CH$LINK: INCHIKEY NUCLJNSWZCHRKL-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID3059187 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO000226.txt b/Keio_Univ/MSBNK-Keio_Univ-KO000226.txt index 486ab9f8177..2290ec768d5 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO000226.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO000226.txt @@ -15,7 +15,7 @@ CH$LINK: CAS 99-16-1 CH$LINK: CHEBI CHEBI:30837 CH$LINK: KEGG C00499 CH$LINK: NIKKAJI J11.619J -CH$LINK: PUBCHEM SID:3782 +CH$LINK: PUBCHEM CID:203 CH$LINK: INCHIKEY NUCLJNSWZCHRKL-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID3059187 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO000227.txt b/Keio_Univ/MSBNK-Keio_Univ-KO000227.txt index d0deb37bb8b..8a4b3a94621 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO000227.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO000227.txt @@ -15,7 +15,7 @@ CH$LINK: CAS 99-16-1 CH$LINK: CHEBI CHEBI:30837 CH$LINK: KEGG C00499 CH$LINK: NIKKAJI J11.619J -CH$LINK: PUBCHEM SID:3782 +CH$LINK: PUBCHEM CID:203 CH$LINK: INCHIKEY NUCLJNSWZCHRKL-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID3059187 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO000228.txt b/Keio_Univ/MSBNK-Keio_Univ-KO000228.txt index e06c033a848..55d637fe7d0 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO000228.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO000228.txt @@ -16,7 +16,7 @@ CH$LINK: CAS 584-85-0 CH$LINK: CHEBI CHEBI:18323 CH$LINK: KEGG C01262 CH$LINK: NIKKAJI J28.566H -CH$LINK: PUBCHEM SID:4481 +CH$LINK: PUBCHEM CID:112072 CH$LINK: INCHIKEY MYYIAHXIVFADCU-QMMMGPOBSA-N CH$LINK: COMPTOX DTXSID30973950 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO000229.txt b/Keio_Univ/MSBNK-Keio_Univ-KO000229.txt index 17e0fd2749f..97669d790e6 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO000229.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO000229.txt @@ -16,7 +16,7 @@ CH$LINK: CAS 584-85-0 CH$LINK: CHEBI CHEBI:18323 CH$LINK: KEGG C01262 CH$LINK: NIKKAJI J28.566H -CH$LINK: PUBCHEM SID:4481 +CH$LINK: PUBCHEM CID:112072 CH$LINK: INCHIKEY MYYIAHXIVFADCU-QMMMGPOBSA-N CH$LINK: COMPTOX DTXSID30973950 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO000230.txt b/Keio_Univ/MSBNK-Keio_Univ-KO000230.txt index cf69d058d79..3420e21322b 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO000230.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO000230.txt @@ -16,7 +16,7 @@ CH$LINK: CAS 584-85-0 CH$LINK: CHEBI CHEBI:18323 CH$LINK: KEGG C01262 CH$LINK: NIKKAJI J28.566H -CH$LINK: PUBCHEM SID:4481 +CH$LINK: PUBCHEM CID:112072 CH$LINK: INCHIKEY MYYIAHXIVFADCU-QMMMGPOBSA-N CH$LINK: COMPTOX DTXSID30973950 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO000231.txt b/Keio_Univ/MSBNK-Keio_Univ-KO000231.txt index 267fc2373c2..ab8795d0fa1 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO000231.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO000231.txt @@ -16,7 +16,7 @@ CH$LINK: CAS 584-85-0 CH$LINK: CHEBI CHEBI:18323 CH$LINK: KEGG C01262 CH$LINK: NIKKAJI J28.566H -CH$LINK: PUBCHEM SID:4481 +CH$LINK: PUBCHEM CID:112072 CH$LINK: INCHIKEY MYYIAHXIVFADCU-QMMMGPOBSA-N CH$LINK: COMPTOX DTXSID30973950 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO000232.txt b/Keio_Univ/MSBNK-Keio_Univ-KO000232.txt index b2fd3fb03dd..3f1a4e7ae42 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO000232.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO000232.txt @@ -16,7 +16,7 @@ CH$LINK: CAS 584-85-0 CH$LINK: CHEBI CHEBI:18323 CH$LINK: KEGG C01262 CH$LINK: NIKKAJI J28.566H -CH$LINK: PUBCHEM SID:4481 +CH$LINK: PUBCHEM CID:112072 CH$LINK: INCHIKEY MYYIAHXIVFADCU-QMMMGPOBSA-N CH$LINK: COMPTOX DTXSID30973950 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO000233.txt b/Keio_Univ/MSBNK-Keio_Univ-KO000233.txt index 9b10ca0446a..aaff5118612 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO000233.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO000233.txt @@ -16,7 +16,7 @@ CH$LINK: CAS 997-55-7 CH$LINK: CHEBI CHEBI:16953 CH$LINK: KEGG C01042 CH$LINK: NIKKAJI J62.824G -CH$LINK: PUBCHEM SID:4284 +CH$LINK: PUBCHEM CID:65065 CH$LINK: INCHIKEY OTCCIMWXFLJLIA-BYPYZUCNSA-N CH$LINK: COMPTOX DTXSID40897219 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO000234.txt b/Keio_Univ/MSBNK-Keio_Univ-KO000234.txt index e1f74c9bd7c..71d89a701a1 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO000234.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO000234.txt @@ -16,7 +16,7 @@ CH$LINK: CAS 997-55-7 CH$LINK: CHEBI CHEBI:16953 CH$LINK: KEGG C01042 CH$LINK: NIKKAJI J62.824G -CH$LINK: PUBCHEM SID:4284 +CH$LINK: PUBCHEM CID:65065 CH$LINK: INCHIKEY OTCCIMWXFLJLIA-BYPYZUCNSA-N CH$LINK: COMPTOX DTXSID40897219 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO000235.txt b/Keio_Univ/MSBNK-Keio_Univ-KO000235.txt index be5f7bf2e95..16ee154f7c8 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO000235.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO000235.txt @@ -16,7 +16,7 @@ CH$LINK: CAS 997-55-7 CH$LINK: CHEBI CHEBI:16953 CH$LINK: KEGG C01042 CH$LINK: NIKKAJI J62.824G -CH$LINK: PUBCHEM SID:4284 +CH$LINK: PUBCHEM CID:65065 CH$LINK: INCHIKEY OTCCIMWXFLJLIA-BYPYZUCNSA-N CH$LINK: COMPTOX DTXSID40897219 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO000236.txt b/Keio_Univ/MSBNK-Keio_Univ-KO000236.txt index 7f2a7954b63..018018524cf 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO000236.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO000236.txt @@ -16,7 +16,7 @@ CH$LINK: CAS 997-55-7 CH$LINK: CHEBI CHEBI:16953 CH$LINK: KEGG C01042 CH$LINK: NIKKAJI J62.824G -CH$LINK: PUBCHEM SID:4284 +CH$LINK: PUBCHEM CID:65065 CH$LINK: INCHIKEY OTCCIMWXFLJLIA-BYPYZUCNSA-N CH$LINK: COMPTOX DTXSID40897219 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO000237.txt b/Keio_Univ/MSBNK-Keio_Univ-KO000237.txt index 54f41fd2ba6..e8e06ba3742 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO000237.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO000237.txt @@ -16,7 +16,7 @@ CH$LINK: CAS 997-55-7 CH$LINK: CHEBI CHEBI:16953 CH$LINK: KEGG C01042 CH$LINK: NIKKAJI J62.824G -CH$LINK: PUBCHEM SID:4284 +CH$LINK: PUBCHEM CID:65065 CH$LINK: INCHIKEY OTCCIMWXFLJLIA-BYPYZUCNSA-N CH$LINK: COMPTOX DTXSID40897219 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO000238.txt b/Keio_Univ/MSBNK-Keio_Univ-KO000238.txt index d5c18675595..f95800c28dd 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO000238.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO000238.txt @@ -13,7 +13,7 @@ CH$SMILES: CC(=O)NC(C(O)1)C(O)C(O)C(O1)COP(O)(O)=O CH$IUPAC: InChI=1S/C8H16NO9P/c1-3(10)9-5-7(12)6(11)4(18-8(5)13)2-17-19(14,15)16/h4-8,11-13H,2H2,1H3,(H,9,10)(H2,14,15,16)/t4-,5-,6-,7-,8?/m1/s1 CH$LINK: CHEBI CHEBI:15784 CH$LINK: KEGG C00357 -CH$LINK: PUBCHEM SID:3650 +CH$LINK: PUBCHEM CID:440996 CH$LINK: INCHIKEY BRGMHAYQAZFZDJ-RTRLPJTCSA-N AC$INSTRUMENT: API3000, Applied Biosystems AC$INSTRUMENT_TYPE: LC-ESI-QQ diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO000239.txt b/Keio_Univ/MSBNK-Keio_Univ-KO000239.txt index 5b5b8e7aa05..93778b41cbc 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO000239.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO000239.txt @@ -13,7 +13,7 @@ CH$SMILES: CC(=O)NC(C(O)1)C(O)C(O)C(O1)COP(O)(O)=O CH$IUPAC: InChI=1S/C8H16NO9P/c1-3(10)9-5-7(12)6(11)4(18-8(5)13)2-17-19(14,15)16/h4-8,11-13H,2H2,1H3,(H,9,10)(H2,14,15,16)/t4-,5-,6-,7-,8?/m1/s1 CH$LINK: CHEBI CHEBI:15784 CH$LINK: KEGG C00357 -CH$LINK: PUBCHEM SID:3650 +CH$LINK: PUBCHEM CID:440996 CH$LINK: INCHIKEY BRGMHAYQAZFZDJ-RTRLPJTCSA-N AC$INSTRUMENT: API3000, Applied Biosystems AC$INSTRUMENT_TYPE: LC-ESI-QQ diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO000240.txt b/Keio_Univ/MSBNK-Keio_Univ-KO000240.txt index b45939fe241..b58937db571 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO000240.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO000240.txt @@ -13,7 +13,7 @@ CH$SMILES: CC(=O)NC(C(O)1)C(O)C(O)C(O1)COP(O)(O)=O CH$IUPAC: InChI=1S/C8H16NO9P/c1-3(10)9-5-7(12)6(11)4(18-8(5)13)2-17-19(14,15)16/h4-8,11-13H,2H2,1H3,(H,9,10)(H2,14,15,16)/t4-,5-,6-,7-,8?/m1/s1 CH$LINK: CHEBI CHEBI:15784 CH$LINK: KEGG C00357 -CH$LINK: PUBCHEM SID:3650 +CH$LINK: PUBCHEM CID:440996 CH$LINK: INCHIKEY BRGMHAYQAZFZDJ-RTRLPJTCSA-N AC$INSTRUMENT: API3000, Applied Biosystems AC$INSTRUMENT_TYPE: LC-ESI-QQ diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO000241.txt b/Keio_Univ/MSBNK-Keio_Univ-KO000241.txt index 16383dbb1f5..7bd83e1a55d 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO000241.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO000241.txt @@ -13,7 +13,7 @@ CH$SMILES: CC(=O)NC(C(O)1)C(O)C(O)C(O1)COP(O)(O)=O CH$IUPAC: InChI=1S/C8H16NO9P/c1-3(10)9-5-7(12)6(11)4(18-8(5)13)2-17-19(14,15)16/h4-8,11-13H,2H2,1H3,(H,9,10)(H2,14,15,16)/t4-,5-,6-,7-,8?/m1/s1 CH$LINK: CHEBI CHEBI:15784 CH$LINK: KEGG C00357 -CH$LINK: PUBCHEM SID:3650 +CH$LINK: PUBCHEM CID:440996 CH$LINK: INCHIKEY BRGMHAYQAZFZDJ-RTRLPJTCSA-N AC$INSTRUMENT: API3000, Applied Biosystems AC$INSTRUMENT_TYPE: LC-ESI-QQ diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO000242.txt b/Keio_Univ/MSBNK-Keio_Univ-KO000242.txt index d7d1cefae43..3f1e2e87075 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO000242.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO000242.txt @@ -13,7 +13,7 @@ CH$SMILES: CC(=O)NC(C(O)1)C(O)C(O)C(O1)COP(O)(O)=O CH$IUPAC: InChI=1S/C8H16NO9P/c1-3(10)9-5-7(12)6(11)4(18-8(5)13)2-17-19(14,15)16/h4-8,11-13H,2H2,1H3,(H,9,10)(H2,14,15,16)/t4-,5-,6-,7-,8?/m1/s1 CH$LINK: CHEBI CHEBI:15784 CH$LINK: KEGG C00357 -CH$LINK: PUBCHEM SID:3650 +CH$LINK: PUBCHEM CID:440996 CH$LINK: INCHIKEY BRGMHAYQAZFZDJ-RTRLPJTCSA-N AC$INSTRUMENT: API3000, Applied Biosystems AC$INSTRUMENT_TYPE: LC-ESI-QQ diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO000243.txt b/Keio_Univ/MSBNK-Keio_Univ-KO000243.txt index 56625179f8a..80a8eb9e852 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO000243.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO000243.txt @@ -15,7 +15,7 @@ CH$LINK: CAS 1188-21-2 CH$LINK: CHEBI CHEBI:17786 CH$LINK: KEGG C02710 CH$LINK: NIKKAJI J23.189D -CH$LINK: PUBCHEM SID:5673 +CH$LINK: PUBCHEM CID:70912 CH$LINK: INCHIKEY WXNXCEHXYPACJF-ZETCQYMHSA-N CH$LINK: COMPTOX DTXSID6045870 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO000244.txt b/Keio_Univ/MSBNK-Keio_Univ-KO000244.txt index 173c066c8f7..0dacd73c483 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO000244.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO000244.txt @@ -15,7 +15,7 @@ CH$LINK: CAS 1188-21-2 CH$LINK: CHEBI CHEBI:17786 CH$LINK: KEGG C02710 CH$LINK: NIKKAJI J23.189D -CH$LINK: PUBCHEM SID:5673 +CH$LINK: PUBCHEM CID:70912 CH$LINK: INCHIKEY WXNXCEHXYPACJF-ZETCQYMHSA-N CH$LINK: COMPTOX DTXSID6045870 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO000245.txt b/Keio_Univ/MSBNK-Keio_Univ-KO000245.txt index 43bd273302f..d70d8a0752c 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO000245.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO000245.txt @@ -15,7 +15,7 @@ CH$LINK: CAS 1188-21-2 CH$LINK: CHEBI CHEBI:17786 CH$LINK: KEGG C02710 CH$LINK: NIKKAJI J23.189D -CH$LINK: PUBCHEM SID:5673 +CH$LINK: PUBCHEM CID:70912 CH$LINK: INCHIKEY WXNXCEHXYPACJF-ZETCQYMHSA-N CH$LINK: COMPTOX DTXSID6045870 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO000246.txt b/Keio_Univ/MSBNK-Keio_Univ-KO000246.txt index 10eea36b363..8d20119a82e 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO000246.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO000246.txt @@ -15,7 +15,7 @@ CH$LINK: CAS 1188-21-2 CH$LINK: CHEBI CHEBI:17786 CH$LINK: KEGG C02710 CH$LINK: NIKKAJI J23.189D -CH$LINK: PUBCHEM SID:5673 +CH$LINK: PUBCHEM CID:70912 CH$LINK: INCHIKEY WXNXCEHXYPACJF-ZETCQYMHSA-N CH$LINK: COMPTOX DTXSID6045870 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO000247.txt b/Keio_Univ/MSBNK-Keio_Univ-KO000247.txt index 7c2866e9ceb..db036713103 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO000247.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO000247.txt @@ -15,7 +15,7 @@ CH$LINK: CAS 1188-21-2 CH$LINK: CHEBI CHEBI:17786 CH$LINK: KEGG C02710 CH$LINK: NIKKAJI J23.189D -CH$LINK: PUBCHEM SID:5673 +CH$LINK: PUBCHEM CID:70912 CH$LINK: INCHIKEY WXNXCEHXYPACJF-ZETCQYMHSA-N CH$LINK: COMPTOX DTXSID6045870 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO000248.txt b/Keio_Univ/MSBNK-Keio_Univ-KO000248.txt index 7c5c683df82..90b0cefb13e 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO000248.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO000248.txt @@ -14,7 +14,7 @@ CH$IUPAC: InChI=1S/C5H11O8P/c6-1-3(7)5(9)4(8)2-13-14(10,11)12/h1,3-5,7-9H,2H2,(H CH$LINK: CAS 13137-52-5 CH$LINK: CHEBI CHEBI:16241 CH$LINK: KEGG C01112 -CH$LINK: PUBCHEM SID:4344 +CH$LINK: PUBCHEM CID:188324 CH$LINK: INCHIKEY PPQRONHOSHZGFQ-WDCZJNDASA-N AC$INSTRUMENT: API3000, Applied Biosystems AC$INSTRUMENT_TYPE: LC-ESI-QQ diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO000249.txt b/Keio_Univ/MSBNK-Keio_Univ-KO000249.txt index f8f6c989030..eabe148e78a 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO000249.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO000249.txt @@ -14,7 +14,7 @@ CH$IUPAC: InChI=1S/C5H11O8P/c6-1-3(7)5(9)4(8)2-13-14(10,11)12/h1,3-5,7-9H,2H2,(H CH$LINK: CAS 13137-52-5 CH$LINK: CHEBI CHEBI:16241 CH$LINK: KEGG C01112 -CH$LINK: PUBCHEM SID:4344 +CH$LINK: PUBCHEM CID:188324 CH$LINK: INCHIKEY PPQRONHOSHZGFQ-WDCZJNDASA-N AC$INSTRUMENT: API3000, Applied Biosystems AC$INSTRUMENT_TYPE: LC-ESI-QQ diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO000250.txt b/Keio_Univ/MSBNK-Keio_Univ-KO000250.txt index c38249386ba..58629059ee7 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO000250.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO000250.txt @@ -14,7 +14,7 @@ CH$IUPAC: InChI=1S/C5H11O8P/c6-1-3(7)5(9)4(8)2-13-14(10,11)12/h1,3-5,7-9H,2H2,(H CH$LINK: CAS 13137-52-5 CH$LINK: CHEBI CHEBI:16241 CH$LINK: KEGG C01112 -CH$LINK: PUBCHEM SID:4344 +CH$LINK: PUBCHEM CID:188324 CH$LINK: INCHIKEY PPQRONHOSHZGFQ-WDCZJNDASA-N AC$INSTRUMENT: API3000, Applied Biosystems AC$INSTRUMENT_TYPE: LC-ESI-QQ diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO000251.txt b/Keio_Univ/MSBNK-Keio_Univ-KO000251.txt index 96250521321..9aae3980b02 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO000251.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO000251.txt @@ -14,7 +14,7 @@ CH$IUPAC: InChI=1S/C5H11O8P/c6-1-3(7)5(9)4(8)2-13-14(10,11)12/h1,3-5,7-9H,2H2,(H CH$LINK: CAS 13137-52-5 CH$LINK: CHEBI CHEBI:16241 CH$LINK: KEGG C01112 -CH$LINK: PUBCHEM SID:4344 +CH$LINK: PUBCHEM CID:188324 CH$LINK: INCHIKEY PPQRONHOSHZGFQ-WDCZJNDASA-N AC$INSTRUMENT: API3000, Applied Biosystems AC$INSTRUMENT_TYPE: LC-ESI-QQ diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO000252.txt b/Keio_Univ/MSBNK-Keio_Univ-KO000252.txt index 345d99db270..9cd38e2a418 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO000252.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO000252.txt @@ -14,7 +14,7 @@ CH$IUPAC: InChI=1S/C5H11O8P/c6-1-3(7)5(9)4(8)2-13-14(10,11)12/h1,3-5,7-9H,2H2,(H CH$LINK: CAS 13137-52-5 CH$LINK: CHEBI CHEBI:16241 CH$LINK: KEGG C01112 -CH$LINK: PUBCHEM SID:4344 +CH$LINK: PUBCHEM CID:188324 CH$LINK: INCHIKEY PPQRONHOSHZGFQ-WDCZJNDASA-N AC$INSTRUMENT: API3000, Applied Biosystems AC$INSTRUMENT_TYPE: LC-ESI-QQ diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO000253.txt b/Keio_Univ/MSBNK-Keio_Univ-KO000253.txt index 421c949d6a2..058c685b088 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO000253.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO000253.txt @@ -19,7 +19,7 @@ CH$LINK: CHEBI CHEBI:1889 CH$LINK: CHEMPDB ANN CH$LINK: KEGG C02519 CH$LINK: NIKKAJI J3.229H -CH$LINK: PUBCHEM SID:5529 +CH$LINK: PUBCHEM CID:7478 CH$LINK: INCHIKEY ZEYHEAKUIGZSGI-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID4059205 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO000254.txt b/Keio_Univ/MSBNK-Keio_Univ-KO000254.txt index 4600203764d..4a8b2724809 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO000254.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO000254.txt @@ -19,7 +19,7 @@ CH$LINK: CHEBI CHEBI:1889 CH$LINK: CHEMPDB ANN CH$LINK: KEGG C02519 CH$LINK: NIKKAJI J3.229H -CH$LINK: PUBCHEM SID:5529 +CH$LINK: PUBCHEM CID:7478 CH$LINK: INCHIKEY ZEYHEAKUIGZSGI-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID4059205 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO000255.txt b/Keio_Univ/MSBNK-Keio_Univ-KO000255.txt index 55636ab6f84..e30bcc6fcfc 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO000255.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO000255.txt @@ -19,7 +19,7 @@ CH$LINK: CHEBI CHEBI:1889 CH$LINK: CHEMPDB ANN CH$LINK: KEGG C02519 CH$LINK: NIKKAJI J3.229H -CH$LINK: PUBCHEM SID:5529 +CH$LINK: PUBCHEM CID:7478 CH$LINK: INCHIKEY ZEYHEAKUIGZSGI-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID4059205 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO000256.txt b/Keio_Univ/MSBNK-Keio_Univ-KO000256.txt index 5948862ba87..b0ba6f757f7 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO000256.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO000256.txt @@ -19,7 +19,7 @@ CH$LINK: CHEBI CHEBI:1889 CH$LINK: CHEMPDB ANN CH$LINK: KEGG C02519 CH$LINK: NIKKAJI J3.229H -CH$LINK: PUBCHEM SID:5529 +CH$LINK: PUBCHEM CID:7478 CH$LINK: INCHIKEY ZEYHEAKUIGZSGI-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID4059205 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO000257.txt b/Keio_Univ/MSBNK-Keio_Univ-KO000257.txt index dfc1168d3bc..fd8bb542f00 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO000257.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO000257.txt @@ -19,7 +19,7 @@ CH$LINK: CHEBI CHEBI:1889 CH$LINK: CHEMPDB ANN CH$LINK: KEGG C02519 CH$LINK: NIKKAJI J3.229H -CH$LINK: PUBCHEM SID:5529 +CH$LINK: PUBCHEM CID:7478 CH$LINK: INCHIKEY ZEYHEAKUIGZSGI-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID4059205 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO000258.txt b/Keio_Univ/MSBNK-Keio_Univ-KO000258.txt index 92b89331b51..b87a71122a0 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO000258.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO000258.txt @@ -15,7 +15,7 @@ CH$LINK: CAS 5977-14-0 CH$LINK: CHEBI CHEBI:28515 CH$LINK: KEGG C11106 CH$LINK: NIKKAJI J26.750C -CH$LINK: PUBCHEM SID:13288 +CH$LINK: PUBCHEM CID:80077 CH$LINK: INCHIKEY GCPWJFKTWGFEHH-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID1040164 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO000259.txt b/Keio_Univ/MSBNK-Keio_Univ-KO000259.txt index 451d773aeca..7b5a3583a0f 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO000259.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO000259.txt @@ -15,7 +15,7 @@ CH$LINK: CAS 5977-14-0 CH$LINK: CHEBI CHEBI:28515 CH$LINK: KEGG C11106 CH$LINK: NIKKAJI J26.750C -CH$LINK: PUBCHEM SID:13288 +CH$LINK: PUBCHEM CID:80077 CH$LINK: INCHIKEY GCPWJFKTWGFEHH-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID1040164 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO000260.txt b/Keio_Univ/MSBNK-Keio_Univ-KO000260.txt index 855807394c7..22f111c6758 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO000260.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO000260.txt @@ -15,7 +15,7 @@ CH$LINK: CAS 5977-14-0 CH$LINK: CHEBI CHEBI:28515 CH$LINK: KEGG C11106 CH$LINK: NIKKAJI J26.750C -CH$LINK: PUBCHEM SID:13288 +CH$LINK: PUBCHEM CID:80077 CH$LINK: INCHIKEY GCPWJFKTWGFEHH-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID1040164 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO000261.txt b/Keio_Univ/MSBNK-Keio_Univ-KO000261.txt index 428a24f0be3..0f82214087c 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO000261.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO000261.txt @@ -15,7 +15,7 @@ CH$LINK: CAS 5977-14-0 CH$LINK: CHEBI CHEBI:28515 CH$LINK: KEGG C11106 CH$LINK: NIKKAJI J26.750C -CH$LINK: PUBCHEM SID:13288 +CH$LINK: PUBCHEM CID:80077 CH$LINK: INCHIKEY GCPWJFKTWGFEHH-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID1040164 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO000262.txt b/Keio_Univ/MSBNK-Keio_Univ-KO000262.txt index f58f9792e00..04d98d3e5f3 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO000262.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO000262.txt @@ -15,7 +15,7 @@ CH$LINK: CAS 5977-14-0 CH$LINK: CHEBI CHEBI:28515 CH$LINK: KEGG C11106 CH$LINK: NIKKAJI J26.750C -CH$LINK: PUBCHEM SID:13288 +CH$LINK: PUBCHEM CID:80077 CH$LINK: INCHIKEY GCPWJFKTWGFEHH-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID1040164 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO000263.txt b/Keio_Univ/MSBNK-Keio_Univ-KO000263.txt index 89a1ac5256f..fdd74de6c76 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO000263.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO000263.txt @@ -16,7 +16,7 @@ CH$LINK: CHEBI CHEBI:17752 CH$LINK: CHEMPDB ALY CH$LINK: KEGG C02727 CH$LINK: NIKKAJI J206.006J -CH$LINK: PUBCHEM SID:5689 +CH$LINK: PUBCHEM CID:92832 CH$LINK: INCHIKEY DTERQYGMUDWYAZ-ZETCQYMHSA-N AC$INSTRUMENT: API3000, Applied Biosystems AC$INSTRUMENT_TYPE: LC-ESI-QQ diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO000264.txt b/Keio_Univ/MSBNK-Keio_Univ-KO000264.txt index 4fe73df8ddb..0de95b382f9 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO000264.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO000264.txt @@ -16,7 +16,7 @@ CH$LINK: CHEBI CHEBI:17752 CH$LINK: CHEMPDB ALY CH$LINK: KEGG C02727 CH$LINK: NIKKAJI J206.006J -CH$LINK: PUBCHEM SID:5689 +CH$LINK: PUBCHEM CID:92832 CH$LINK: INCHIKEY DTERQYGMUDWYAZ-ZETCQYMHSA-N AC$INSTRUMENT: API3000, Applied Biosystems AC$INSTRUMENT_TYPE: LC-ESI-QQ diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO000265.txt b/Keio_Univ/MSBNK-Keio_Univ-KO000265.txt index 11e2ece9335..af4ac9b495f 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO000265.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO000265.txt @@ -16,7 +16,7 @@ CH$LINK: CHEBI CHEBI:17752 CH$LINK: CHEMPDB ALY CH$LINK: KEGG C02727 CH$LINK: NIKKAJI J206.006J -CH$LINK: PUBCHEM SID:5689 +CH$LINK: PUBCHEM CID:92832 CH$LINK: INCHIKEY DTERQYGMUDWYAZ-ZETCQYMHSA-N AC$INSTRUMENT: API3000, Applied Biosystems AC$INSTRUMENT_TYPE: LC-ESI-QQ diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO000266.txt b/Keio_Univ/MSBNK-Keio_Univ-KO000266.txt index 1b7f4ddb410..0d539283cab 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO000266.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO000266.txt @@ -16,7 +16,7 @@ CH$LINK: CHEBI CHEBI:17752 CH$LINK: CHEMPDB ALY CH$LINK: KEGG C02727 CH$LINK: NIKKAJI J206.006J -CH$LINK: PUBCHEM SID:5689 +CH$LINK: PUBCHEM CID:92832 CH$LINK: INCHIKEY DTERQYGMUDWYAZ-ZETCQYMHSA-N AC$INSTRUMENT: API3000, Applied Biosystems AC$INSTRUMENT_TYPE: LC-ESI-QQ diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO000267.txt b/Keio_Univ/MSBNK-Keio_Univ-KO000267.txt index a9b21eb0d46..3c21439cb31 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO000267.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO000267.txt @@ -16,7 +16,7 @@ CH$LINK: CHEBI CHEBI:17752 CH$LINK: CHEMPDB ALY CH$LINK: KEGG C02727 CH$LINK: NIKKAJI J206.006J -CH$LINK: PUBCHEM SID:5689 +CH$LINK: PUBCHEM CID:92832 CH$LINK: INCHIKEY DTERQYGMUDWYAZ-ZETCQYMHSA-N AC$INSTRUMENT: API3000, Applied Biosystems AC$INSTRUMENT_TYPE: LC-ESI-QQ diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO000268.txt b/Keio_Univ/MSBNK-Keio_Univ-KO000268.txt index bef231f23ba..b41ae002256 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO000268.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO000268.txt @@ -15,7 +15,7 @@ CH$SMILES: OC(=O)CC(N)c(c1)ccc(O)c1 CH$IUPAC: InChI=1S/C9H11NO3/c10-8(5-9(12)13)6-1-3-7(11)4-2-6/h1-4,8,11H,5,10H2,(H,12,13) CH$LINK: CHEBI CHEBI:16939 CH$LINK: KEGG C04368 -CH$LINK: PUBCHEM SID:7012 +CH$LINK: PUBCHEM CID:440311 CH$LINK: INCHIKEY JYPHNHPXFNEZBR-UHFFFAOYSA-N AC$INSTRUMENT: API3000, Applied Biosystems AC$INSTRUMENT_TYPE: LC-ESI-QQ diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO000269.txt b/Keio_Univ/MSBNK-Keio_Univ-KO000269.txt index 43b193a32f4..8c62f40115b 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO000269.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO000269.txt @@ -15,7 +15,7 @@ CH$SMILES: OC(=O)CC(N)c(c1)ccc(O)c1 CH$IUPAC: InChI=1S/C9H11NO3/c10-8(5-9(12)13)6-1-3-7(11)4-2-6/h1-4,8,11H,5,10H2,(H,12,13) CH$LINK: CHEBI CHEBI:16939 CH$LINK: KEGG C04368 -CH$LINK: PUBCHEM SID:7012 +CH$LINK: PUBCHEM CID:440311 CH$LINK: INCHIKEY JYPHNHPXFNEZBR-UHFFFAOYSA-N AC$INSTRUMENT: API3000, Applied Biosystems AC$INSTRUMENT_TYPE: LC-ESI-QQ diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO000270.txt b/Keio_Univ/MSBNK-Keio_Univ-KO000270.txt index d42375e13e2..8d6a2801c6a 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO000270.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO000270.txt @@ -15,7 +15,7 @@ CH$SMILES: OC(=O)CC(N)c(c1)ccc(O)c1 CH$IUPAC: InChI=1S/C9H11NO3/c10-8(5-9(12)13)6-1-3-7(11)4-2-6/h1-4,8,11H,5,10H2,(H,12,13) CH$LINK: CHEBI CHEBI:16939 CH$LINK: KEGG C04368 -CH$LINK: PUBCHEM SID:7012 +CH$LINK: PUBCHEM CID:440311 CH$LINK: INCHIKEY JYPHNHPXFNEZBR-UHFFFAOYSA-N AC$INSTRUMENT: API3000, Applied Biosystems AC$INSTRUMENT_TYPE: LC-ESI-QQ diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO000271.txt b/Keio_Univ/MSBNK-Keio_Univ-KO000271.txt index 2bfb6dfdd72..0ea574022c6 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO000271.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO000271.txt @@ -15,7 +15,7 @@ CH$SMILES: OC(=O)CC(N)c(c1)ccc(O)c1 CH$IUPAC: InChI=1S/C9H11NO3/c10-8(5-9(12)13)6-1-3-7(11)4-2-6/h1-4,8,11H,5,10H2,(H,12,13) CH$LINK: CHEBI CHEBI:16939 CH$LINK: KEGG C04368 -CH$LINK: PUBCHEM SID:7012 +CH$LINK: PUBCHEM CID:440311 CH$LINK: INCHIKEY JYPHNHPXFNEZBR-UHFFFAOYSA-N AC$INSTRUMENT: API3000, Applied Biosystems AC$INSTRUMENT_TYPE: LC-ESI-QQ diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO000272.txt b/Keio_Univ/MSBNK-Keio_Univ-KO000272.txt index 51a1402a652..58c8e728515 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO000272.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO000272.txt @@ -15,7 +15,7 @@ CH$SMILES: OC(=O)CC(N)c(c1)ccc(O)c1 CH$IUPAC: InChI=1S/C9H11NO3/c10-8(5-9(12)13)6-1-3-7(11)4-2-6/h1-4,8,11H,5,10H2,(H,12,13) CH$LINK: CHEBI CHEBI:16939 CH$LINK: KEGG C04368 -CH$LINK: PUBCHEM SID:7012 +CH$LINK: PUBCHEM CID:440311 CH$LINK: INCHIKEY JYPHNHPXFNEZBR-UHFFFAOYSA-N AC$INSTRUMENT: API3000, Applied Biosystems AC$INSTRUMENT_TYPE: LC-ESI-QQ diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO000273.txt b/Keio_Univ/MSBNK-Keio_Univ-KO000273.txt index 693bf82e2bd..1cc5accd91a 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO000273.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO000273.txt @@ -16,7 +16,7 @@ CH$IUPAC: InChI=1S/C16H13NO3S/c18-21(19,20)15-11-5-7-12-6-4-10-14(16(12)15)17-13 CH$LINK: CAS 82-76-8 CH$LINK: KEGG C11326 CH$LINK: NIKKAJI J4.618C -CH$LINK: PUBCHEM SID:13501 +CH$LINK: PUBCHEM CID:1369 CH$LINK: INCHIKEY FWEOQOXTVHGIFQ-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID7058882 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO000274.txt b/Keio_Univ/MSBNK-Keio_Univ-KO000274.txt index b5700f765bc..a78d6b7cb59 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO000274.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO000274.txt @@ -16,7 +16,7 @@ CH$IUPAC: InChI=1S/C16H13NO3S/c18-21(19,20)15-11-5-7-12-6-4-10-14(16(12)15)17-13 CH$LINK: CAS 82-76-8 CH$LINK: KEGG C11326 CH$LINK: NIKKAJI J4.618C -CH$LINK: PUBCHEM SID:13501 +CH$LINK: PUBCHEM CID:1369 CH$LINK: INCHIKEY FWEOQOXTVHGIFQ-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID7058882 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO000275.txt b/Keio_Univ/MSBNK-Keio_Univ-KO000275.txt index 950492ffdbd..42f54617b3a 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO000275.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO000275.txt @@ -16,7 +16,7 @@ CH$IUPAC: InChI=1S/C16H13NO3S/c18-21(19,20)15-11-5-7-12-6-4-10-14(16(12)15)17-13 CH$LINK: CAS 82-76-8 CH$LINK: KEGG C11326 CH$LINK: NIKKAJI J4.618C -CH$LINK: PUBCHEM SID:13501 +CH$LINK: PUBCHEM CID:1369 CH$LINK: INCHIKEY FWEOQOXTVHGIFQ-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID7058882 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO000276.txt b/Keio_Univ/MSBNK-Keio_Univ-KO000276.txt index 11d1cf437ca..614e4426b02 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO000276.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO000276.txt @@ -16,7 +16,7 @@ CH$IUPAC: InChI=1S/C16H13NO3S/c18-21(19,20)15-11-5-7-12-6-4-10-14(16(12)15)17-13 CH$LINK: CAS 82-76-8 CH$LINK: KEGG C11326 CH$LINK: NIKKAJI J4.618C -CH$LINK: PUBCHEM SID:13501 +CH$LINK: PUBCHEM CID:1369 CH$LINK: INCHIKEY FWEOQOXTVHGIFQ-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID7058882 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO000277.txt b/Keio_Univ/MSBNK-Keio_Univ-KO000277.txt index 3b4a6198b01..39416117579 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO000277.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO000277.txt @@ -16,7 +16,7 @@ CH$IUPAC: InChI=1S/C16H13NO3S/c18-21(19,20)15-11-5-7-12-6-4-10-14(16(12)15)17-13 CH$LINK: CAS 82-76-8 CH$LINK: KEGG C11326 CH$LINK: NIKKAJI J4.618C -CH$LINK: PUBCHEM SID:13501 +CH$LINK: PUBCHEM CID:1369 CH$LINK: INCHIKEY FWEOQOXTVHGIFQ-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID7058882 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO000278.txt b/Keio_Univ/MSBNK-Keio_Univ-KO000278.txt index a5a34724e0c..0557884ef5d 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO000278.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO000278.txt @@ -13,7 +13,7 @@ CH$SMILES: CC(=O)NC(C(O)1)C(O)C(O)C(O1)COS(O)(=O)=O CH$IUPAC: InChI=1S/C8H15NO9S/c1-3(10)9-5-7(12)6(11)4(18-8(5)13)2-17-19(14,15)16/h4-8,11-13H,2H2,1H3,(H,9,10)(H,14,15,16)/t4-,5-,6+,7-,8-/m1/s1 CH$LINK: CAS 157296-99-6 CH$LINK: KEGG C04255 -CH$LINK: PUBCHEM SID:6920 +CH$LINK: PUBCHEM CID:440271 CH$LINK: INCHIKEY WJFVEEAIYIOATH-JAJWTYFOSA-N CH$LINK: COMPTOX DTXSID00331482 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO000279.txt b/Keio_Univ/MSBNK-Keio_Univ-KO000279.txt index 78194c86d3d..53b84af3fb2 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO000279.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO000279.txt @@ -13,7 +13,7 @@ CH$SMILES: CC(=O)NC(C(O)1)C(O)C(O)C(O1)COS(O)(=O)=O CH$IUPAC: InChI=1S/C8H15NO9S/c1-3(10)9-5-7(12)6(11)4(18-8(5)13)2-17-19(14,15)16/h4-8,11-13H,2H2,1H3,(H,9,10)(H,14,15,16)/t4-,5-,6+,7-,8-/m1/s1 CH$LINK: CAS 157296-99-6 CH$LINK: KEGG C04255 -CH$LINK: PUBCHEM SID:6920 +CH$LINK: PUBCHEM CID:440271 CH$LINK: INCHIKEY WJFVEEAIYIOATH-JAJWTYFOSA-N CH$LINK: COMPTOX DTXSID00331482 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO000280.txt b/Keio_Univ/MSBNK-Keio_Univ-KO000280.txt index ea2643ffe48..c3a55467e2f 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO000280.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO000280.txt @@ -13,7 +13,7 @@ CH$SMILES: CC(=O)NC(C(O)1)C(O)C(O)C(O1)COS(O)(=O)=O CH$IUPAC: InChI=1S/C8H15NO9S/c1-3(10)9-5-7(12)6(11)4(18-8(5)13)2-17-19(14,15)16/h4-8,11-13H,2H2,1H3,(H,9,10)(H,14,15,16)/t4-,5-,6+,7-,8-/m1/s1 CH$LINK: CAS 157296-99-6 CH$LINK: KEGG C04255 -CH$LINK: PUBCHEM SID:6920 +CH$LINK: PUBCHEM CID:440271 CH$LINK: INCHIKEY WJFVEEAIYIOATH-JAJWTYFOSA-N CH$LINK: COMPTOX DTXSID00331482 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO000281.txt b/Keio_Univ/MSBNK-Keio_Univ-KO000281.txt index 1307e735052..cb03776a956 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO000281.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO000281.txt @@ -13,7 +13,7 @@ CH$SMILES: CC(=O)NC(C(O)1)C(O)C(O)C(O1)COS(O)(=O)=O CH$IUPAC: InChI=1S/C8H15NO9S/c1-3(10)9-5-7(12)6(11)4(18-8(5)13)2-17-19(14,15)16/h4-8,11-13H,2H2,1H3,(H,9,10)(H,14,15,16)/t4-,5-,6+,7-,8-/m1/s1 CH$LINK: CAS 157296-99-6 CH$LINK: KEGG C04255 -CH$LINK: PUBCHEM SID:6920 +CH$LINK: PUBCHEM CID:440271 CH$LINK: INCHIKEY WJFVEEAIYIOATH-JAJWTYFOSA-N CH$LINK: COMPTOX DTXSID00331482 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO000282.txt b/Keio_Univ/MSBNK-Keio_Univ-KO000282.txt index 0dd030b7534..b9fa4c618cb 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO000282.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO000282.txt @@ -13,7 +13,7 @@ CH$SMILES: CC(=O)NC(C(O)1)C(O)C(O)C(O1)COS(O)(=O)=O CH$IUPAC: InChI=1S/C8H15NO9S/c1-3(10)9-5-7(12)6(11)4(18-8(5)13)2-17-19(14,15)16/h4-8,11-13H,2H2,1H3,(H,9,10)(H,14,15,16)/t4-,5-,6+,7-,8-/m1/s1 CH$LINK: CAS 157296-99-6 CH$LINK: KEGG C04255 -CH$LINK: PUBCHEM SID:6920 +CH$LINK: PUBCHEM CID:440271 CH$LINK: INCHIKEY WJFVEEAIYIOATH-JAJWTYFOSA-N CH$LINK: COMPTOX DTXSID00331482 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO000283.txt b/Keio_Univ/MSBNK-Keio_Univ-KO000283.txt index 8915ef0a090..9fefab7af6e 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO000283.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO000283.txt @@ -12,7 +12,7 @@ CH$EXACT_MASS: 117.07898 CH$SMILES: CCC(C)(N)C(O)=O CH$IUPAC: InChI=1S/C5H11NO2/c1-3-5(2,6)4(7)8/h3,6H2,1-2H3,(H,7,8) CH$LINK: KEGG C03571 -CH$LINK: PUBCHEM SID:6363 +CH$LINK: PUBCHEM CID:94744 CH$LINK: INCHIKEY GCHPUFAZSONQIV-UHFFFAOYSA-N AC$INSTRUMENT: API3000, Applied Biosystems AC$INSTRUMENT_TYPE: LC-ESI-QQ diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO000284.txt b/Keio_Univ/MSBNK-Keio_Univ-KO000284.txt index cd252149887..9010ff02446 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO000284.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO000284.txt @@ -12,7 +12,7 @@ CH$EXACT_MASS: 117.07898 CH$SMILES: CCC(C)(N)C(O)=O CH$IUPAC: InChI=1S/C5H11NO2/c1-3-5(2,6)4(7)8/h3,6H2,1-2H3,(H,7,8) CH$LINK: KEGG C03571 -CH$LINK: PUBCHEM SID:6363 +CH$LINK: PUBCHEM CID:94744 CH$LINK: INCHIKEY GCHPUFAZSONQIV-UHFFFAOYSA-N AC$INSTRUMENT: API3000, Applied Biosystems AC$INSTRUMENT_TYPE: LC-ESI-QQ diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO000285.txt b/Keio_Univ/MSBNK-Keio_Univ-KO000285.txt index 1e0aa4e013b..97fdaa83604 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO000285.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO000285.txt @@ -12,7 +12,7 @@ CH$EXACT_MASS: 117.07898 CH$SMILES: CCC(C)(N)C(O)=O CH$IUPAC: InChI=1S/C5H11NO2/c1-3-5(2,6)4(7)8/h3,6H2,1-2H3,(H,7,8) CH$LINK: KEGG C03571 -CH$LINK: PUBCHEM SID:6363 +CH$LINK: PUBCHEM CID:94744 CH$LINK: INCHIKEY GCHPUFAZSONQIV-UHFFFAOYSA-N AC$INSTRUMENT: API3000, Applied Biosystems AC$INSTRUMENT_TYPE: LC-ESI-QQ diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO000286.txt b/Keio_Univ/MSBNK-Keio_Univ-KO000286.txt index f2805eaeb8a..b1f3f726303 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO000286.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO000286.txt @@ -12,7 +12,7 @@ CH$EXACT_MASS: 117.07898 CH$SMILES: CCC(C)(N)C(O)=O CH$IUPAC: InChI=1S/C5H11NO2/c1-3-5(2,6)4(7)8/h3,6H2,1-2H3,(H,7,8) CH$LINK: KEGG C03571 -CH$LINK: PUBCHEM SID:6363 +CH$LINK: PUBCHEM CID:94744 CH$LINK: INCHIKEY GCHPUFAZSONQIV-UHFFFAOYSA-N AC$INSTRUMENT: API3000, Applied Biosystems AC$INSTRUMENT_TYPE: LC-ESI-QQ diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO000287.txt b/Keio_Univ/MSBNK-Keio_Univ-KO000287.txt index daeb5aa30d7..7f8cfdfa6ad 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO000287.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO000287.txt @@ -13,7 +13,7 @@ CH$SMILES: OCC(O1)C(O)C(OC(C)C(O)=O)C(NC(C)=O)C(O)1 CH$IUPAC: InChI=1S/C11H19NO8/c1-4(10(16)17)19-9-7(12-5(2)14)11(18)20-6(3-13)8(9)15/h4,6-9,11,13,15,18H,3H2,1-2H3,(H,12,14)(H,16,17)/t4-,6-,7-,8-,9-,11?/m1/s1 CH$LINK: CAS 61633-75-8 CH$LINK: KEGG C02713 -CH$LINK: PUBCHEM SID:5676 +CH$LINK: PUBCHEM CID:5462244 CH$LINK: INCHIKEY MNLRQHMNZILYPY-MKFCKLDKSA-N AC$INSTRUMENT: API3000, Applied Biosystems AC$INSTRUMENT_TYPE: LC-ESI-QQ diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO000288.txt b/Keio_Univ/MSBNK-Keio_Univ-KO000288.txt index 83ef74e6b19..c6e8f9d8b8b 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO000288.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO000288.txt @@ -13,7 +13,7 @@ CH$SMILES: OCC(O1)C(O)C(OC(C)C(O)=O)C(NC(C)=O)C(O)1 CH$IUPAC: InChI=1S/C11H19NO8/c1-4(10(16)17)19-9-7(12-5(2)14)11(18)20-6(3-13)8(9)15/h4,6-9,11,13,15,18H,3H2,1-2H3,(H,12,14)(H,16,17)/t4-,6-,7-,8-,9-,11?/m1/s1 CH$LINK: CAS 61633-75-8 CH$LINK: KEGG C02713 -CH$LINK: PUBCHEM SID:5676 +CH$LINK: PUBCHEM CID:5462244 CH$LINK: INCHIKEY MNLRQHMNZILYPY-MKFCKLDKSA-N AC$INSTRUMENT: API3000, Applied Biosystems AC$INSTRUMENT_TYPE: LC-ESI-QQ diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO000289.txt b/Keio_Univ/MSBNK-Keio_Univ-KO000289.txt index 7f78fdfd42d..64c2bdfed49 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO000289.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO000289.txt @@ -13,7 +13,7 @@ CH$SMILES: OCC(O1)C(O)C(OC(C)C(O)=O)C(NC(C)=O)C(O)1 CH$IUPAC: InChI=1S/C11H19NO8/c1-4(10(16)17)19-9-7(12-5(2)14)11(18)20-6(3-13)8(9)15/h4,6-9,11,13,15,18H,3H2,1-2H3,(H,12,14)(H,16,17)/t4-,6-,7-,8-,9-,11?/m1/s1 CH$LINK: CAS 61633-75-8 CH$LINK: KEGG C02713 -CH$LINK: PUBCHEM SID:5676 +CH$LINK: PUBCHEM CID:5462244 CH$LINK: INCHIKEY MNLRQHMNZILYPY-MKFCKLDKSA-N AC$INSTRUMENT: API3000, Applied Biosystems AC$INSTRUMENT_TYPE: LC-ESI-QQ diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO000290.txt b/Keio_Univ/MSBNK-Keio_Univ-KO000290.txt index 6e0fec5a01e..e387d81dcdb 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO000290.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO000290.txt @@ -13,7 +13,7 @@ CH$SMILES: OCC(O1)C(O)C(OC(C)C(O)=O)C(NC(C)=O)C(O)1 CH$IUPAC: InChI=1S/C11H19NO8/c1-4(10(16)17)19-9-7(12-5(2)14)11(18)20-6(3-13)8(9)15/h4,6-9,11,13,15,18H,3H2,1-2H3,(H,12,14)(H,16,17)/t4-,6-,7-,8-,9-,11?/m1/s1 CH$LINK: CAS 61633-75-8 CH$LINK: KEGG C02713 -CH$LINK: PUBCHEM SID:5676 +CH$LINK: PUBCHEM CID:5462244 CH$LINK: INCHIKEY MNLRQHMNZILYPY-MKFCKLDKSA-N AC$INSTRUMENT: API3000, Applied Biosystems AC$INSTRUMENT_TYPE: LC-ESI-QQ diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO000291.txt b/Keio_Univ/MSBNK-Keio_Univ-KO000291.txt index 1e57f4daa52..ce681e74c08 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO000291.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO000291.txt @@ -13,7 +13,7 @@ CH$SMILES: OCC(O1)C(O)C(OC(C)C(O)=O)C(NC(C)=O)C(O)1 CH$IUPAC: InChI=1S/C11H19NO8/c1-4(10(16)17)19-9-7(12-5(2)14)11(18)20-6(3-13)8(9)15/h4,6-9,11,13,15,18H,3H2,1-2H3,(H,12,14)(H,16,17)/t4-,6-,7-,8-,9-,11?/m1/s1 CH$LINK: CAS 61633-75-8 CH$LINK: KEGG C02713 -CH$LINK: PUBCHEM SID:5676 +CH$LINK: PUBCHEM CID:5462244 CH$LINK: INCHIKEY MNLRQHMNZILYPY-MKFCKLDKSA-N AC$INSTRUMENT: API3000, Applied Biosystems AC$INSTRUMENT_TYPE: LC-ESI-QQ diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO000292.txt b/Keio_Univ/MSBNK-Keio_Univ-KO000292.txt index 2c762a8ab43..b4d66f2531b 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO000292.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO000292.txt @@ -15,7 +15,7 @@ CH$LINK: CAS 2163-68-0 CH$LINK: CHEBI CHEBI:18316 CH$LINK: KEGG C06552 CH$LINK: NIKKAJI J9.489G -CH$LINK: PUBCHEM SID:8781 +CH$LINK: PUBCHEM CID:135398733 CH$LINK: INCHIKEY NFMIMWNQWAWNDW-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID6037807 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO000293.txt b/Keio_Univ/MSBNK-Keio_Univ-KO000293.txt index e230cb7462a..cfd48191970 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO000293.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO000293.txt @@ -15,7 +15,7 @@ CH$LINK: CAS 2163-68-0 CH$LINK: CHEBI CHEBI:18316 CH$LINK: KEGG C06552 CH$LINK: NIKKAJI J9.489G -CH$LINK: PUBCHEM SID:8781 +CH$LINK: PUBCHEM CID:135398733 CH$LINK: INCHIKEY NFMIMWNQWAWNDW-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID6037807 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO000294.txt b/Keio_Univ/MSBNK-Keio_Univ-KO000294.txt index f1a4b0943ac..47104606f8e 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO000294.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO000294.txt @@ -15,7 +15,7 @@ CH$LINK: CAS 2163-68-0 CH$LINK: CHEBI CHEBI:18316 CH$LINK: KEGG C06552 CH$LINK: NIKKAJI J9.489G -CH$LINK: PUBCHEM SID:8781 +CH$LINK: PUBCHEM CID:135398733 CH$LINK: INCHIKEY NFMIMWNQWAWNDW-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID6037807 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO000295.txt b/Keio_Univ/MSBNK-Keio_Univ-KO000295.txt index 9dce560616a..40d20acee78 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO000295.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO000295.txt @@ -15,7 +15,7 @@ CH$LINK: CAS 2163-68-0 CH$LINK: CHEBI CHEBI:18316 CH$LINK: KEGG C06552 CH$LINK: NIKKAJI J9.489G -CH$LINK: PUBCHEM SID:8781 +CH$LINK: PUBCHEM CID:135398733 CH$LINK: INCHIKEY NFMIMWNQWAWNDW-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID6037807 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO000296.txt b/Keio_Univ/MSBNK-Keio_Univ-KO000296.txt index 5dff2e7ad13..7b3ceb974f3 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO000296.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO000296.txt @@ -15,7 +15,7 @@ CH$LINK: CAS 2163-68-0 CH$LINK: CHEBI CHEBI:18316 CH$LINK: KEGG C06552 CH$LINK: NIKKAJI J9.489G -CH$LINK: PUBCHEM SID:8781 +CH$LINK: PUBCHEM CID:135398733 CH$LINK: INCHIKEY NFMIMWNQWAWNDW-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID6037807 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO000297.txt b/Keio_Univ/MSBNK-Keio_Univ-KO000297.txt index 696df945e41..203ef5e91d1 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO000297.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO000297.txt @@ -17,7 +17,7 @@ CH$IUPAC: InChI=1S/C4H7NO2/c6-4(7)3-1-2-5-3/h3,5H,1-2H2,(H,6,7)/t3-/m0/s1 CH$LINK: CAS 2133-34-8 CH$LINK: KEGG C08267 CH$LINK: NIKKAJI J35.234I -CH$LINK: PUBCHEM SID:10466 +CH$LINK: PUBCHEM CID:16486 CH$LINK: INCHIKEY IADUEWIQBXOCDZ-VKHMYHEASA-N CH$LINK: COMPTOX DTXSID0044020 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO000298.txt b/Keio_Univ/MSBNK-Keio_Univ-KO000298.txt index 79aa7a287d6..281b0c16c0e 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO000298.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO000298.txt @@ -17,7 +17,7 @@ CH$IUPAC: InChI=1S/C4H7NO2/c6-4(7)3-1-2-5-3/h3,5H,1-2H2,(H,6,7)/t3-/m0/s1 CH$LINK: CAS 2133-34-8 CH$LINK: KEGG C08267 CH$LINK: NIKKAJI J35.234I -CH$LINK: PUBCHEM SID:10466 +CH$LINK: PUBCHEM CID:16486 CH$LINK: INCHIKEY IADUEWIQBXOCDZ-VKHMYHEASA-N CH$LINK: COMPTOX DTXSID0044020 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO000299.txt b/Keio_Univ/MSBNK-Keio_Univ-KO000299.txt index a90bf0933c9..dc1a8bba26e 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO000299.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO000299.txt @@ -17,7 +17,7 @@ CH$IUPAC: InChI=1S/C4H7NO2/c6-4(7)3-1-2-5-3/h3,5H,1-2H2,(H,6,7)/t3-/m0/s1 CH$LINK: CAS 2133-34-8 CH$LINK: KEGG C08267 CH$LINK: NIKKAJI J35.234I -CH$LINK: PUBCHEM SID:10466 +CH$LINK: PUBCHEM CID:16486 CH$LINK: INCHIKEY IADUEWIQBXOCDZ-VKHMYHEASA-N CH$LINK: COMPTOX DTXSID0044020 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO000300.txt b/Keio_Univ/MSBNK-Keio_Univ-KO000300.txt index 75f0accc913..f04c20165b6 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO000300.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO000300.txt @@ -16,7 +16,7 @@ CH$IUPAC: InChI=1S/C12H12N2O2S/c13-9-1-5-11(6-2-9)17(15,16)12-7-3-10(14)4-8-12/h CH$LINK: CAS 80-08-0 CH$LINK: KEGG C07666 CH$LINK: NIKKAJI J4.247A -CH$LINK: PUBCHEM SID:9868 +CH$LINK: PUBCHEM CID:2955 CH$LINK: INCHIKEY MQJKPEGWNLWLTK-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID4020371 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO000301.txt b/Keio_Univ/MSBNK-Keio_Univ-KO000301.txt index d2d106ea5b2..5fe4716b735 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO000301.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO000301.txt @@ -16,7 +16,7 @@ CH$IUPAC: InChI=1S/C12H12N2O2S/c13-9-1-5-11(6-2-9)17(15,16)12-7-3-10(14)4-8-12/h CH$LINK: CAS 80-08-0 CH$LINK: KEGG C07666 CH$LINK: NIKKAJI J4.247A -CH$LINK: PUBCHEM SID:9868 +CH$LINK: PUBCHEM CID:2955 CH$LINK: INCHIKEY MQJKPEGWNLWLTK-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID4020371 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO000302.txt b/Keio_Univ/MSBNK-Keio_Univ-KO000302.txt index d8e2b03bf2a..f651cc98e2b 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO000302.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO000302.txt @@ -16,7 +16,7 @@ CH$IUPAC: InChI=1S/C12H12N2O2S/c13-9-1-5-11(6-2-9)17(15,16)12-7-3-10(14)4-8-12/h CH$LINK: CAS 80-08-0 CH$LINK: KEGG C07666 CH$LINK: NIKKAJI J4.247A -CH$LINK: PUBCHEM SID:9868 +CH$LINK: PUBCHEM CID:2955 CH$LINK: INCHIKEY MQJKPEGWNLWLTK-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID4020371 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO000303.txt b/Keio_Univ/MSBNK-Keio_Univ-KO000303.txt index 0c1ac80593b..96b7bdba155 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO000303.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO000303.txt @@ -16,7 +16,7 @@ CH$IUPAC: InChI=1S/C12H12N2O2S/c13-9-1-5-11(6-2-9)17(15,16)12-7-3-10(14)4-8-12/h CH$LINK: CAS 80-08-0 CH$LINK: KEGG C07666 CH$LINK: NIKKAJI J4.247A -CH$LINK: PUBCHEM SID:9868 +CH$LINK: PUBCHEM CID:2955 CH$LINK: INCHIKEY MQJKPEGWNLWLTK-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID4020371 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO000304.txt b/Keio_Univ/MSBNK-Keio_Univ-KO000304.txt index e0c8472b3dd..2e722bd218b 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO000304.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO000304.txt @@ -16,7 +16,7 @@ CH$IUPAC: InChI=1S/C12H12N2O2S/c13-9-1-5-11(6-2-9)17(15,16)12-7-3-10(14)4-8-12/h CH$LINK: CAS 80-08-0 CH$LINK: KEGG C07666 CH$LINK: NIKKAJI J4.247A -CH$LINK: PUBCHEM SID:9868 +CH$LINK: PUBCHEM CID:2955 CH$LINK: INCHIKEY MQJKPEGWNLWLTK-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID4020371 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO000305.txt b/Keio_Univ/MSBNK-Keio_Univ-KO000305.txt index c5540126534..170f8e48c6f 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO000305.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO000305.txt @@ -16,7 +16,7 @@ CH$IUPAC: InChI=1S/CH6NO3P/c2-1-6(3,4)5/h1-2H2,(H2,3,4,5) CH$LINK: CAS 1066-51-9 CH$LINK: KEGG C11033 CH$LINK: NIKKAJI J138.614J -CH$LINK: PUBCHEM SID:13216 +CH$LINK: PUBCHEM CID:14017 CH$LINK: INCHIKEY MGRVRXRGTBOSHW-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID5037490 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO000306.txt b/Keio_Univ/MSBNK-Keio_Univ-KO000306.txt index cdcd9eeed27..ca658c33953 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO000306.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO000306.txt @@ -16,7 +16,7 @@ CH$IUPAC: InChI=1S/CH6NO3P/c2-1-6(3,4)5/h1-2H2,(H2,3,4,5) CH$LINK: CAS 1066-51-9 CH$LINK: KEGG C11033 CH$LINK: NIKKAJI J138.614J -CH$LINK: PUBCHEM SID:13216 +CH$LINK: PUBCHEM CID:14017 CH$LINK: INCHIKEY MGRVRXRGTBOSHW-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID5037490 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO000307.txt b/Keio_Univ/MSBNK-Keio_Univ-KO000307.txt index e223ba5e055..39a49ad9fb2 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO000307.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO000307.txt @@ -16,7 +16,7 @@ CH$IUPAC: InChI=1S/CH6NO3P/c2-1-6(3,4)5/h1-2H2,(H2,3,4,5) CH$LINK: CAS 1066-51-9 CH$LINK: KEGG C11033 CH$LINK: NIKKAJI J138.614J -CH$LINK: PUBCHEM SID:13216 +CH$LINK: PUBCHEM CID:14017 CH$LINK: INCHIKEY MGRVRXRGTBOSHW-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID5037490 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO000308.txt b/Keio_Univ/MSBNK-Keio_Univ-KO000308.txt index 3edaae10c04..ea5ee3565e3 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO000308.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO000308.txt @@ -16,7 +16,7 @@ CH$IUPAC: InChI=1S/CH6NO3P/c2-1-6(3,4)5/h1-2H2,(H2,3,4,5) CH$LINK: CAS 1066-51-9 CH$LINK: KEGG C11033 CH$LINK: NIKKAJI J138.614J -CH$LINK: PUBCHEM SID:13216 +CH$LINK: PUBCHEM CID:14017 CH$LINK: INCHIKEY MGRVRXRGTBOSHW-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID5037490 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO000309.txt b/Keio_Univ/MSBNK-Keio_Univ-KO000309.txt index 1c9758295a7..a1319cd6c24 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO000309.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO000309.txt @@ -16,7 +16,7 @@ CH$IUPAC: InChI=1S/CH6NO3P/c2-1-6(3,4)5/h1-2H2,(H2,3,4,5) CH$LINK: CAS 1066-51-9 CH$LINK: KEGG C11033 CH$LINK: NIKKAJI J138.614J -CH$LINK: PUBCHEM SID:13216 +CH$LINK: PUBCHEM CID:14017 CH$LINK: INCHIKEY MGRVRXRGTBOSHW-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID5037490 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO000315.txt b/Keio_Univ/MSBNK-Keio_Univ-KO000315.txt index d1122e5f868..df839641cee 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO000315.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO000315.txt @@ -15,7 +15,7 @@ CH$EXACT_MASS: 103.06333 CH$SMILES: CC[C@H](N)C(O)=O CH$IUPAC: InChI=1S/C4H9NO2/c1-2-3(5)4(6)7/h3H,2,5H2,1H3,(H,6,7)/t3-/m0/s1 CH$LINK: KEGG C02356 -CH$LINK: PUBCHEM SID:5403 +CH$LINK: PUBCHEM CID:80283 CH$LINK: INCHIKEY QWCKQJZIFLGMSD-VKHMYHEASA-N CH$LINK: COMPTOX DTXSID10883684 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO000316.txt b/Keio_Univ/MSBNK-Keio_Univ-KO000316.txt index 38aa589128b..cd29bab2adc 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO000316.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO000316.txt @@ -15,7 +15,7 @@ CH$EXACT_MASS: 103.06333 CH$SMILES: CC[C@H](N)C(O)=O CH$IUPAC: InChI=1S/C4H9NO2/c1-2-3(5)4(6)7/h3H,2,5H2,1H3,(H,6,7)/t3-/m0/s1 CH$LINK: KEGG C02356 -CH$LINK: PUBCHEM SID:5403 +CH$LINK: PUBCHEM CID:80283 CH$LINK: INCHIKEY QWCKQJZIFLGMSD-VKHMYHEASA-N CH$LINK: COMPTOX DTXSID10883684 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO000317.txt b/Keio_Univ/MSBNK-Keio_Univ-KO000317.txt index dd4a2df4392..4ebcc06b00e 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO000317.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO000317.txt @@ -15,7 +15,7 @@ CH$EXACT_MASS: 103.06333 CH$SMILES: CC[C@H](N)C(O)=O CH$IUPAC: InChI=1S/C4H9NO2/c1-2-3(5)4(6)7/h3H,2,5H2,1H3,(H,6,7)/t3-/m0/s1 CH$LINK: KEGG C02356 -CH$LINK: PUBCHEM SID:5403 +CH$LINK: PUBCHEM CID:80283 CH$LINK: INCHIKEY QWCKQJZIFLGMSD-VKHMYHEASA-N CH$LINK: COMPTOX DTXSID10883684 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO000318.txt b/Keio_Univ/MSBNK-Keio_Univ-KO000318.txt index 3ea82162eda..9a7958b33fd 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO000318.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO000318.txt @@ -15,7 +15,7 @@ CH$EXACT_MASS: 103.06333 CH$SMILES: CC[C@H](N)C(O)=O CH$IUPAC: InChI=1S/C4H9NO2/c1-2-3(5)4(6)7/h3H,2,5H2,1H3,(H,6,7)/t3-/m0/s1 CH$LINK: KEGG C02356 -CH$LINK: PUBCHEM SID:5403 +CH$LINK: PUBCHEM CID:80283 CH$LINK: INCHIKEY QWCKQJZIFLGMSD-VKHMYHEASA-N CH$LINK: COMPTOX DTXSID10883684 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO000319.txt b/Keio_Univ/MSBNK-Keio_Univ-KO000319.txt index 67a0d2bbf83..ac04e20445f 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO000319.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO000319.txt @@ -19,7 +19,7 @@ CH$LINK: CHEBI CHEBI:30746 CH$LINK: CHEMPDB BEZ CH$LINK: KEGG C00180 CH$LINK: NIKKAJI J2.358B -CH$LINK: PUBCHEM SID:3480 +CH$LINK: PUBCHEM CID:243 CH$LINK: INCHIKEY WPYMKLBDIGXBTP-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID6020143 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO000320.txt b/Keio_Univ/MSBNK-Keio_Univ-KO000320.txt index 43f5d5d88af..cd75b7365a2 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO000320.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO000320.txt @@ -19,7 +19,7 @@ CH$LINK: CHEBI CHEBI:30746 CH$LINK: CHEMPDB BEZ CH$LINK: KEGG C00180 CH$LINK: NIKKAJI J2.358B -CH$LINK: PUBCHEM SID:3480 +CH$LINK: PUBCHEM CID:243 CH$LINK: INCHIKEY WPYMKLBDIGXBTP-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID6020143 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO000321.txt b/Keio_Univ/MSBNK-Keio_Univ-KO000321.txt index 35c44ac913d..4765e6d1343 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO000321.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO000321.txt @@ -19,7 +19,7 @@ CH$LINK: CHEBI CHEBI:30746 CH$LINK: CHEMPDB BEZ CH$LINK: KEGG C00180 CH$LINK: NIKKAJI J2.358B -CH$LINK: PUBCHEM SID:3480 +CH$LINK: PUBCHEM CID:243 CH$LINK: INCHIKEY WPYMKLBDIGXBTP-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID6020143 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO000322.txt b/Keio_Univ/MSBNK-Keio_Univ-KO000322.txt index 29692d9ad5c..0c2c9c7fcbe 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO000322.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO000322.txt @@ -19,7 +19,7 @@ CH$LINK: CHEBI CHEBI:30746 CH$LINK: CHEMPDB BEZ CH$LINK: KEGG C00180 CH$LINK: NIKKAJI J2.358B -CH$LINK: PUBCHEM SID:3480 +CH$LINK: PUBCHEM CID:243 CH$LINK: INCHIKEY WPYMKLBDIGXBTP-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID6020143 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO000323.txt b/Keio_Univ/MSBNK-Keio_Univ-KO000323.txt index b35cd50815c..6a82be8545c 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO000323.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO000323.txt @@ -17,7 +17,7 @@ CH$LINK: CAS 884-33-3 CH$LINK: CHEBI CHEBI:16054 CH$LINK: KEGG C09816 CH$LINK: NIKKAJI J80.002C -CH$LINK: PUBCHEM SID:12004 +CH$LINK: PUBCHEM CID:444797 CH$LINK: INCHIKEY GTOFKXZQQDSVFH-SECBINFHSA-N AC$INSTRUMENT: API3000, Applied Biosystems AC$INSTRUMENT_TYPE: LC-ESI-QQ diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO000324.txt b/Keio_Univ/MSBNK-Keio_Univ-KO000324.txt index 221815689d7..bd699b63197 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO000324.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO000324.txt @@ -17,7 +17,7 @@ CH$LINK: CAS 884-33-3 CH$LINK: CHEBI CHEBI:16054 CH$LINK: KEGG C09816 CH$LINK: NIKKAJI J80.002C -CH$LINK: PUBCHEM SID:12004 +CH$LINK: PUBCHEM CID:444797 CH$LINK: INCHIKEY GTOFKXZQQDSVFH-SECBINFHSA-N AC$INSTRUMENT: API3000, Applied Biosystems AC$INSTRUMENT_TYPE: LC-ESI-QQ diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO000325.txt b/Keio_Univ/MSBNK-Keio_Univ-KO000325.txt index e304701bfe3..ee132418cc9 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO000325.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO000325.txt @@ -17,7 +17,7 @@ CH$LINK: CAS 884-33-3 CH$LINK: CHEBI CHEBI:16054 CH$LINK: KEGG C09816 CH$LINK: NIKKAJI J80.002C -CH$LINK: PUBCHEM SID:12004 +CH$LINK: PUBCHEM CID:444797 CH$LINK: INCHIKEY GTOFKXZQQDSVFH-SECBINFHSA-N AC$INSTRUMENT: API3000, Applied Biosystems AC$INSTRUMENT_TYPE: LC-ESI-QQ diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO000326.txt b/Keio_Univ/MSBNK-Keio_Univ-KO000326.txt index b8a75dec336..4970ac08db4 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO000326.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO000326.txt @@ -17,7 +17,7 @@ CH$LINK: CAS 884-33-3 CH$LINK: CHEBI CHEBI:16054 CH$LINK: KEGG C09816 CH$LINK: NIKKAJI J80.002C -CH$LINK: PUBCHEM SID:12004 +CH$LINK: PUBCHEM CID:444797 CH$LINK: INCHIKEY GTOFKXZQQDSVFH-SECBINFHSA-N AC$INSTRUMENT: API3000, Applied Biosystems AC$INSTRUMENT_TYPE: LC-ESI-QQ diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO000327.txt b/Keio_Univ/MSBNK-Keio_Univ-KO000327.txt index 5da74bdb1ef..ce08cac2965 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO000327.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO000327.txt @@ -17,7 +17,7 @@ CH$LINK: CAS 884-33-3 CH$LINK: CHEBI CHEBI:16054 CH$LINK: KEGG C09816 CH$LINK: NIKKAJI J80.002C -CH$LINK: PUBCHEM SID:12004 +CH$LINK: PUBCHEM CID:444797 CH$LINK: INCHIKEY GTOFKXZQQDSVFH-SECBINFHSA-N AC$INSTRUMENT: API3000, Applied Biosystems AC$INSTRUMENT_TYPE: LC-ESI-QQ diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO000328.txt b/Keio_Univ/MSBNK-Keio_Univ-KO000328.txt index 0ca99534665..fef99f36cbe 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO000328.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO000328.txt @@ -18,7 +18,7 @@ CH$LINK: CHEBI CHEBI:30772 CH$LINK: CHEMPDB BUA CH$LINK: KEGG C00246 CH$LINK: NIKKAJI J4.068A -CH$LINK: PUBCHEM SID:3545 +CH$LINK: PUBCHEM CID:264 CH$LINK: INCHIKEY FERIUCNNQQJTOY-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID8021515 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO000329.txt b/Keio_Univ/MSBNK-Keio_Univ-KO000329.txt index f926a54b44a..fc8f8780df9 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO000329.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO000329.txt @@ -18,7 +18,7 @@ CH$LINK: CHEBI CHEBI:30772 CH$LINK: CHEMPDB BUA CH$LINK: KEGG C00246 CH$LINK: NIKKAJI J4.068A -CH$LINK: PUBCHEM SID:3545 +CH$LINK: PUBCHEM CID:264 CH$LINK: INCHIKEY FERIUCNNQQJTOY-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID8021515 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO000330.txt b/Keio_Univ/MSBNK-Keio_Univ-KO000330.txt index 938d3ac9a01..95121abd1ac 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO000330.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO000330.txt @@ -18,7 +18,7 @@ CH$LINK: CHEBI CHEBI:30772 CH$LINK: CHEMPDB BUA CH$LINK: KEGG C00246 CH$LINK: NIKKAJI J4.068A -CH$LINK: PUBCHEM SID:3545 +CH$LINK: PUBCHEM CID:264 CH$LINK: INCHIKEY FERIUCNNQQJTOY-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID8021515 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO000331.txt b/Keio_Univ/MSBNK-Keio_Univ-KO000331.txt index d4b5b8a85ff..84a6f20328e 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO000331.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO000331.txt @@ -15,7 +15,7 @@ CH$LINK: CHEBI CHEBI:3028 CH$LINK: CHEMPDB BZI CH$LINK: KEGG C02009 CH$LINK: NIKKAJI J2.303E -CH$LINK: PUBCHEM SID:5105 +CH$LINK: PUBCHEM CID:5798 CH$LINK: INCHIKEY HYZJCKYKOHLVJF-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID8024573 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO000332.txt b/Keio_Univ/MSBNK-Keio_Univ-KO000332.txt index 625c61967e3..cbbda6442c0 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO000332.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO000332.txt @@ -15,7 +15,7 @@ CH$LINK: CHEBI CHEBI:3028 CH$LINK: CHEMPDB BZI CH$LINK: KEGG C02009 CH$LINK: NIKKAJI J2.303E -CH$LINK: PUBCHEM SID:5105 +CH$LINK: PUBCHEM CID:5798 CH$LINK: INCHIKEY HYZJCKYKOHLVJF-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID8024573 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO000333.txt b/Keio_Univ/MSBNK-Keio_Univ-KO000333.txt index 0cd76666efe..72366b5a5ee 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO000333.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO000333.txt @@ -15,7 +15,7 @@ CH$LINK: CHEBI CHEBI:3028 CH$LINK: CHEMPDB BZI CH$LINK: KEGG C02009 CH$LINK: NIKKAJI J2.303E -CH$LINK: PUBCHEM SID:5105 +CH$LINK: PUBCHEM CID:5798 CH$LINK: INCHIKEY HYZJCKYKOHLVJF-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID8024573 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO000334.txt b/Keio_Univ/MSBNK-Keio_Univ-KO000334.txt index 70a079b6773..2a366f61e4b 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO000334.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO000334.txt @@ -15,7 +15,7 @@ CH$LINK: CHEBI CHEBI:3028 CH$LINK: CHEMPDB BZI CH$LINK: KEGG C02009 CH$LINK: NIKKAJI J2.303E -CH$LINK: PUBCHEM SID:5105 +CH$LINK: PUBCHEM CID:5798 CH$LINK: INCHIKEY HYZJCKYKOHLVJF-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID8024573 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO000335.txt b/Keio_Univ/MSBNK-Keio_Univ-KO000335.txt index 4c0146d25f1..dec5df3d7fa 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO000335.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO000335.txt @@ -15,7 +15,7 @@ CH$LINK: CHEBI CHEBI:3028 CH$LINK: CHEMPDB BZI CH$LINK: KEGG C02009 CH$LINK: NIKKAJI J2.303E -CH$LINK: PUBCHEM SID:5105 +CH$LINK: PUBCHEM CID:5798 CH$LINK: INCHIKEY HYZJCKYKOHLVJF-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID8024573 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO000336.txt b/Keio_Univ/MSBNK-Keio_Univ-KO000336.txt index 3269931212d..f49d3df6683 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO000336.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO000336.txt @@ -15,7 +15,7 @@ CH$IUPAC: InChI=1S/C12H11N5/c1-2-4-9(5-3-1)6-13-11-10-12(15-7-14-10)17-8-16-11/h CH$LINK: CAS 1214-39-7 CH$LINK: KEGG C11263 CH$LINK: NIKKAJI J1.764G -CH$LINK: PUBCHEM SID:13440 +CH$LINK: PUBCHEM CID:62389 CH$LINK: INCHIKEY NWBJYWHLCVSVIJ-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID7032630 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO000337.txt b/Keio_Univ/MSBNK-Keio_Univ-KO000337.txt index 63259b9bc00..721c5c31ff1 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO000337.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO000337.txt @@ -15,7 +15,7 @@ CH$IUPAC: InChI=1S/C12H11N5/c1-2-4-9(5-3-1)6-13-11-10-12(15-7-14-10)17-8-16-11/h CH$LINK: CAS 1214-39-7 CH$LINK: KEGG C11263 CH$LINK: NIKKAJI J1.764G -CH$LINK: PUBCHEM SID:13440 +CH$LINK: PUBCHEM CID:62389 CH$LINK: INCHIKEY NWBJYWHLCVSVIJ-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID7032630 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO000338.txt b/Keio_Univ/MSBNK-Keio_Univ-KO000338.txt index caa300a125b..84cb3eb3035 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO000338.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO000338.txt @@ -15,7 +15,7 @@ CH$IUPAC: InChI=1S/C12H11N5/c1-2-4-9(5-3-1)6-13-11-10-12(15-7-14-10)17-8-16-11/h CH$LINK: CAS 1214-39-7 CH$LINK: KEGG C11263 CH$LINK: NIKKAJI J1.764G -CH$LINK: PUBCHEM SID:13440 +CH$LINK: PUBCHEM CID:62389 CH$LINK: INCHIKEY NWBJYWHLCVSVIJ-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID7032630 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO000339.txt b/Keio_Univ/MSBNK-Keio_Univ-KO000339.txt index f9e880208e1..b2cf8fd82e8 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO000339.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO000339.txt @@ -15,7 +15,7 @@ CH$IUPAC: InChI=1S/C12H11N5/c1-2-4-9(5-3-1)6-13-11-10-12(15-7-14-10)17-8-16-11/h CH$LINK: CAS 1214-39-7 CH$LINK: KEGG C11263 CH$LINK: NIKKAJI J1.764G -CH$LINK: PUBCHEM SID:13440 +CH$LINK: PUBCHEM CID:62389 CH$LINK: INCHIKEY NWBJYWHLCVSVIJ-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID7032630 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO000340.txt b/Keio_Univ/MSBNK-Keio_Univ-KO000340.txt index 3baf17c5a4f..583d34090aa 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO000340.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO000340.txt @@ -15,7 +15,7 @@ CH$IUPAC: InChI=1S/C12H11N5/c1-2-4-9(5-3-1)6-13-11-10-12(15-7-14-10)17-8-16-11/h CH$LINK: CAS 1214-39-7 CH$LINK: KEGG C11263 CH$LINK: NIKKAJI J1.764G -CH$LINK: PUBCHEM SID:13440 +CH$LINK: PUBCHEM CID:62389 CH$LINK: INCHIKEY NWBJYWHLCVSVIJ-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID7032630 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO000351.txt b/Keio_Univ/MSBNK-Keio_Univ-KO000351.txt index b05de54b6d9..bdec663b848 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO000351.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO000351.txt @@ -18,7 +18,7 @@ CH$LINK: CHEBI CHEBI:15956 CH$LINK: CHEMPDB BTN CH$LINK: KEGG C00120 CH$LINK: NIKKAJI J94.599D -CH$LINK: PUBCHEM SID:3420 +CH$LINK: PUBCHEM CID:171548 CH$LINK: INCHIKEY YBJHBAHKTGYVGT-ZKWXMUAHSA-N CH$LINK: COMPTOX DTXSID7022679 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO000352.txt b/Keio_Univ/MSBNK-Keio_Univ-KO000352.txt index b7c07586e85..874b276f2e9 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO000352.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO000352.txt @@ -18,7 +18,7 @@ CH$LINK: CHEBI CHEBI:15956 CH$LINK: CHEMPDB BTN CH$LINK: KEGG C00120 CH$LINK: NIKKAJI J94.599D -CH$LINK: PUBCHEM SID:3420 +CH$LINK: PUBCHEM CID:171548 CH$LINK: INCHIKEY YBJHBAHKTGYVGT-ZKWXMUAHSA-N CH$LINK: COMPTOX DTXSID7022679 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO000353.txt b/Keio_Univ/MSBNK-Keio_Univ-KO000353.txt index 39921b0ed97..c548af2f5eb 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO000353.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO000353.txt @@ -18,7 +18,7 @@ CH$LINK: CHEBI CHEBI:15956 CH$LINK: CHEMPDB BTN CH$LINK: KEGG C00120 CH$LINK: NIKKAJI J94.599D -CH$LINK: PUBCHEM SID:3420 +CH$LINK: PUBCHEM CID:171548 CH$LINK: INCHIKEY YBJHBAHKTGYVGT-ZKWXMUAHSA-N CH$LINK: COMPTOX DTXSID7022679 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO000354.txt b/Keio_Univ/MSBNK-Keio_Univ-KO000354.txt index ada736fbca5..69d30050f6c 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO000354.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO000354.txt @@ -18,7 +18,7 @@ CH$LINK: CHEBI CHEBI:15956 CH$LINK: CHEMPDB BTN CH$LINK: KEGG C00120 CH$LINK: NIKKAJI J94.599D -CH$LINK: PUBCHEM SID:3420 +CH$LINK: PUBCHEM CID:171548 CH$LINK: INCHIKEY YBJHBAHKTGYVGT-ZKWXMUAHSA-N CH$LINK: COMPTOX DTXSID7022679 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO000355.txt b/Keio_Univ/MSBNK-Keio_Univ-KO000355.txt index c986a4c7f9c..2b44c49a66e 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO000355.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO000355.txt @@ -18,7 +18,7 @@ CH$LINK: CHEBI CHEBI:15956 CH$LINK: CHEMPDB BTN CH$LINK: KEGG C00120 CH$LINK: NIKKAJI J94.599D -CH$LINK: PUBCHEM SID:3420 +CH$LINK: PUBCHEM CID:171548 CH$LINK: INCHIKEY YBJHBAHKTGYVGT-ZKWXMUAHSA-N CH$LINK: COMPTOX DTXSID7022679 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO000356.txt b/Keio_Univ/MSBNK-Keio_Univ-KO000356.txt index 854a2658759..4e1a5fadbdd 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO000356.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO000356.txt @@ -16,7 +16,7 @@ CH$IUPAC: InChI=1S/C9H16N2O5/c1-9(2,3)16-8(15)11-5(7(13)14)4-6(10)12/h5H,4H2,1-3 CH$LINK: CAS 7536-55-2 CH$LINK: KEGG C01410 CH$LINK: NIKKAJI J307.866C -CH$LINK: PUBCHEM SID:4598 +CH$LINK: PUBCHEM CID:82035 CH$LINK: INCHIKEY FYYSQDHBALBGHX-YFKPBYRVSA-N CH$LINK: COMPTOX DTXSID80884401 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO000357.txt b/Keio_Univ/MSBNK-Keio_Univ-KO000357.txt index 9daaac3cac0..243b946ff9c 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO000357.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO000357.txt @@ -16,7 +16,7 @@ CH$IUPAC: InChI=1S/C9H16N2O5/c1-9(2,3)16-8(15)11-5(7(13)14)4-6(10)12/h5H,4H2,1-3 CH$LINK: CAS 7536-55-2 CH$LINK: KEGG C01410 CH$LINK: NIKKAJI J307.866C -CH$LINK: PUBCHEM SID:4598 +CH$LINK: PUBCHEM CID:82035 CH$LINK: INCHIKEY FYYSQDHBALBGHX-YFKPBYRVSA-N CH$LINK: COMPTOX DTXSID80884401 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO000358.txt b/Keio_Univ/MSBNK-Keio_Univ-KO000358.txt index bb0a83ca14c..85d10e83bf4 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO000358.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO000358.txt @@ -16,7 +16,7 @@ CH$IUPAC: InChI=1S/C9H16N2O5/c1-9(2,3)16-8(15)11-5(7(13)14)4-6(10)12/h5H,4H2,1-3 CH$LINK: CAS 7536-55-2 CH$LINK: KEGG C01410 CH$LINK: NIKKAJI J307.866C -CH$LINK: PUBCHEM SID:4598 +CH$LINK: PUBCHEM CID:82035 CH$LINK: INCHIKEY FYYSQDHBALBGHX-YFKPBYRVSA-N CH$LINK: COMPTOX DTXSID80884401 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO000359.txt b/Keio_Univ/MSBNK-Keio_Univ-KO000359.txt index 04a9466766a..3e477e70d21 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO000359.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO000359.txt @@ -16,7 +16,7 @@ CH$IUPAC: InChI=1S/C9H16N2O5/c1-9(2,3)16-8(15)11-5(7(13)14)4-6(10)12/h5H,4H2,1-3 CH$LINK: CAS 7536-55-2 CH$LINK: KEGG C01410 CH$LINK: NIKKAJI J307.866C -CH$LINK: PUBCHEM SID:4598 +CH$LINK: PUBCHEM CID:82035 CH$LINK: INCHIKEY FYYSQDHBALBGHX-YFKPBYRVSA-N CH$LINK: COMPTOX DTXSID80884401 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO000360.txt b/Keio_Univ/MSBNK-Keio_Univ-KO000360.txt index b33dcc9eb1f..2a0e4d28c03 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO000360.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO000360.txt @@ -16,7 +16,7 @@ CH$IUPAC: InChI=1S/C9H16N2O5/c1-9(2,3)16-8(15)11-5(7(13)14)4-6(10)12/h5H,4H2,1-3 CH$LINK: CAS 7536-55-2 CH$LINK: KEGG C01410 CH$LINK: NIKKAJI J307.866C -CH$LINK: PUBCHEM SID:4598 +CH$LINK: PUBCHEM CID:82035 CH$LINK: INCHIKEY FYYSQDHBALBGHX-YFKPBYRVSA-N CH$LINK: COMPTOX DTXSID80884401 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO000361.txt b/Keio_Univ/MSBNK-Keio_Univ-KO000361.txt index cd81664b7f6..9912c7142ea 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO000361.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO000361.txt @@ -18,7 +18,7 @@ CH$LINK: CAS 611-73-4 CH$LINK: CHEBI CHEBI:18280 CH$LINK: KEGG C02137 CH$LINK: NIKKAJI J2.992K -CH$LINK: PUBCHEM SID:5216 +CH$LINK: PUBCHEM CID:11915 CH$LINK: INCHIKEY FAQJJMHZNSSFSM-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID80209993 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO000362.txt b/Keio_Univ/MSBNK-Keio_Univ-KO000362.txt index f7415b3da25..a2a3f72efcf 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO000362.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO000362.txt @@ -18,7 +18,7 @@ CH$LINK: CAS 611-73-4 CH$LINK: CHEBI CHEBI:18280 CH$LINK: KEGG C02137 CH$LINK: NIKKAJI J2.992K -CH$LINK: PUBCHEM SID:5216 +CH$LINK: PUBCHEM CID:11915 CH$LINK: INCHIKEY FAQJJMHZNSSFSM-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID80209993 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO000363.txt b/Keio_Univ/MSBNK-Keio_Univ-KO000363.txt index 22c856c7a80..0c32ca27bf2 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO000363.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO000363.txt @@ -18,7 +18,7 @@ CH$LINK: CAS 611-73-4 CH$LINK: CHEBI CHEBI:18280 CH$LINK: KEGG C02137 CH$LINK: NIKKAJI J2.992K -CH$LINK: PUBCHEM SID:5216 +CH$LINK: PUBCHEM CID:11915 CH$LINK: INCHIKEY FAQJJMHZNSSFSM-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID80209993 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO000364.txt b/Keio_Univ/MSBNK-Keio_Univ-KO000364.txt index 68c86a88d41..50316295086 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO000364.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO000364.txt @@ -18,7 +18,7 @@ CH$LINK: CAS 611-73-4 CH$LINK: CHEBI CHEBI:18280 CH$LINK: KEGG C02137 CH$LINK: NIKKAJI J2.992K -CH$LINK: PUBCHEM SID:5216 +CH$LINK: PUBCHEM CID:11915 CH$LINK: INCHIKEY FAQJJMHZNSSFSM-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID80209993 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO000365.txt b/Keio_Univ/MSBNK-Keio_Univ-KO000365.txt index 771a18f39d1..13eba119492 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO000365.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO000365.txt @@ -18,7 +18,7 @@ CH$LINK: CAS 611-73-4 CH$LINK: CHEBI CHEBI:18280 CH$LINK: KEGG C02137 CH$LINK: NIKKAJI J2.992K -CH$LINK: PUBCHEM SID:5216 +CH$LINK: PUBCHEM CID:11915 CH$LINK: INCHIKEY FAQJJMHZNSSFSM-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID80209993 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO000366.txt b/Keio_Univ/MSBNK-Keio_Univ-KO000366.txt index 8aaa7b8b89f..4ce4a5d1cc7 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO000366.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO000366.txt @@ -14,7 +14,7 @@ CH$IUPAC: InChI=1S/C12H9N2O8P/c15-13(16)9-1-5-11(6-2-9)21-23(19,20)22-12-7-3-10( CH$LINK: CAS 645-15-8 CH$LINK: KEGG C03779 CH$LINK: NIKKAJI J205.923A -CH$LINK: PUBCHEM SID:6530 +CH$LINK: PUBCHEM CID:255 CH$LINK: INCHIKEY MHSVUSZEHNVFKW-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID20870742 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO000367.txt b/Keio_Univ/MSBNK-Keio_Univ-KO000367.txt index 641210d04bd..ced702bbb07 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO000367.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO000367.txt @@ -14,7 +14,7 @@ CH$IUPAC: InChI=1S/C12H9N2O8P/c15-13(16)9-1-5-11(6-2-9)21-23(19,20)22-12-7-3-10( CH$LINK: CAS 645-15-8 CH$LINK: KEGG C03779 CH$LINK: NIKKAJI J205.923A -CH$LINK: PUBCHEM SID:6530 +CH$LINK: PUBCHEM CID:255 CH$LINK: INCHIKEY MHSVUSZEHNVFKW-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID20870742 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO000368.txt b/Keio_Univ/MSBNK-Keio_Univ-KO000368.txt index 17aee182447..958894b3cab 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO000368.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO000368.txt @@ -14,7 +14,7 @@ CH$IUPAC: InChI=1S/C12H9N2O8P/c15-13(16)9-1-5-11(6-2-9)21-23(19,20)22-12-7-3-10( CH$LINK: CAS 645-15-8 CH$LINK: KEGG C03779 CH$LINK: NIKKAJI J205.923A -CH$LINK: PUBCHEM SID:6530 +CH$LINK: PUBCHEM CID:255 CH$LINK: INCHIKEY MHSVUSZEHNVFKW-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID20870742 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO000369.txt b/Keio_Univ/MSBNK-Keio_Univ-KO000369.txt index 1b123a52192..0964deea87f 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO000369.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO000369.txt @@ -14,7 +14,7 @@ CH$IUPAC: InChI=1S/C12H9N2O8P/c15-13(16)9-1-5-11(6-2-9)21-23(19,20)22-12-7-3-10( CH$LINK: CAS 645-15-8 CH$LINK: KEGG C03779 CH$LINK: NIKKAJI J205.923A -CH$LINK: PUBCHEM SID:6530 +CH$LINK: PUBCHEM CID:255 CH$LINK: INCHIKEY MHSVUSZEHNVFKW-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID20870742 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO000370.txt b/Keio_Univ/MSBNK-Keio_Univ-KO000370.txt index 172749afdd7..0966199b47f 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO000370.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO000370.txt @@ -14,7 +14,7 @@ CH$IUPAC: InChI=1S/C12H9N2O8P/c15-13(16)9-1-5-11(6-2-9)21-23(19,20)22-12-7-3-10( CH$LINK: CAS 645-15-8 CH$LINK: KEGG C03779 CH$LINK: NIKKAJI J205.923A -CH$LINK: PUBCHEM SID:6530 +CH$LINK: PUBCHEM CID:255 CH$LINK: INCHIKEY MHSVUSZEHNVFKW-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID20870742 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO000371.txt b/Keio_Univ/MSBNK-Keio_Univ-KO000371.txt index 9f58c61de5c..5704f17ac87 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO000371.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO000371.txt @@ -14,7 +14,7 @@ CH$IUPAC: InChI=1S/C10H12N2O3S/c1-7(2)12-10(13)8-5-3-4-6-9(8)11-16(12,14)15/h3-7 CH$LINK: CAS 25057-89-0 CH$LINK: KEGG C10965 CH$LINK: NIKKAJI J1.875I -CH$LINK: PUBCHEM SID:13148 +CH$LINK: PUBCHEM CID:2328 CH$LINK: INCHIKEY ZOMSMJKLGFBRBS-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID0023901 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO000372.txt b/Keio_Univ/MSBNK-Keio_Univ-KO000372.txt index 02054482952..e736899fe52 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO000372.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO000372.txt @@ -14,7 +14,7 @@ CH$IUPAC: InChI=1S/C10H12N2O3S/c1-7(2)12-10(13)8-5-3-4-6-9(8)11-16(12,14)15/h3-7 CH$LINK: CAS 25057-89-0 CH$LINK: KEGG C10965 CH$LINK: NIKKAJI J1.875I -CH$LINK: PUBCHEM SID:13148 +CH$LINK: PUBCHEM CID:2328 CH$LINK: INCHIKEY ZOMSMJKLGFBRBS-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID0023901 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO000373.txt b/Keio_Univ/MSBNK-Keio_Univ-KO000373.txt index cafd8685773..afa6befb589 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO000373.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO000373.txt @@ -14,7 +14,7 @@ CH$IUPAC: InChI=1S/C10H12N2O3S/c1-7(2)12-10(13)8-5-3-4-6-9(8)11-16(12,14)15/h3-7 CH$LINK: CAS 25057-89-0 CH$LINK: KEGG C10965 CH$LINK: NIKKAJI J1.875I -CH$LINK: PUBCHEM SID:13148 +CH$LINK: PUBCHEM CID:2328 CH$LINK: INCHIKEY ZOMSMJKLGFBRBS-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID0023901 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO000374.txt b/Keio_Univ/MSBNK-Keio_Univ-KO000374.txt index 5f3e34b8803..17ee76b0aea 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO000374.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO000374.txt @@ -14,7 +14,7 @@ CH$IUPAC: InChI=1S/C10H12N2O3S/c1-7(2)12-10(13)8-5-3-4-6-9(8)11-16(12,14)15/h3-7 CH$LINK: CAS 25057-89-0 CH$LINK: KEGG C10965 CH$LINK: NIKKAJI J1.875I -CH$LINK: PUBCHEM SID:13148 +CH$LINK: PUBCHEM CID:2328 CH$LINK: INCHIKEY ZOMSMJKLGFBRBS-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID0023901 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO000375.txt b/Keio_Univ/MSBNK-Keio_Univ-KO000375.txt index a749638698c..d87c4d58b06 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO000375.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO000375.txt @@ -14,7 +14,7 @@ CH$IUPAC: InChI=1S/C10H12N2O3S/c1-7(2)12-10(13)8-5-3-4-6-9(8)11-16(12,14)15/h3-7 CH$LINK: CAS 25057-89-0 CH$LINK: KEGG C10965 CH$LINK: NIKKAJI J1.875I -CH$LINK: PUBCHEM SID:13148 +CH$LINK: PUBCHEM CID:2328 CH$LINK: INCHIKEY ZOMSMJKLGFBRBS-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID0023901 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO000381.txt b/Keio_Univ/MSBNK-Keio_Univ-KO000381.txt index 9d8aa6fcf38..df73c1f949c 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO000381.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO000381.txt @@ -18,7 +18,7 @@ CH$LINK: CHEBI CHEBI:30769 CH$LINK: CHEMPDB CIT CH$LINK: KEGG C00158 CH$LINK: NIKKAJI J2.824J -CH$LINK: PUBCHEM SID:3458 +CH$LINK: PUBCHEM CID:311 CH$LINK: INCHIKEY KRKNYBCHXYNGOX-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID3020332 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO000382.txt b/Keio_Univ/MSBNK-Keio_Univ-KO000382.txt index 3c2b68f05eb..95a479e344d 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO000382.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO000382.txt @@ -18,7 +18,7 @@ CH$LINK: CHEBI CHEBI:30769 CH$LINK: CHEMPDB CIT CH$LINK: KEGG C00158 CH$LINK: NIKKAJI J2.824J -CH$LINK: PUBCHEM SID:3458 +CH$LINK: PUBCHEM CID:311 CH$LINK: INCHIKEY KRKNYBCHXYNGOX-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID3020332 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO000383.txt b/Keio_Univ/MSBNK-Keio_Univ-KO000383.txt index de7dd37ba85..bf949c743ab 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO000383.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO000383.txt @@ -18,7 +18,7 @@ CH$LINK: CHEBI CHEBI:30769 CH$LINK: CHEMPDB CIT CH$LINK: KEGG C00158 CH$LINK: NIKKAJI J2.824J -CH$LINK: PUBCHEM SID:3458 +CH$LINK: PUBCHEM CID:311 CH$LINK: INCHIKEY KRKNYBCHXYNGOX-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID3020332 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO000384.txt b/Keio_Univ/MSBNK-Keio_Univ-KO000384.txt index 4f9943e6490..f9e6e6762bf 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO000384.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO000384.txt @@ -18,7 +18,7 @@ CH$LINK: CHEBI CHEBI:30769 CH$LINK: CHEMPDB CIT CH$LINK: KEGG C00158 CH$LINK: NIKKAJI J2.824J -CH$LINK: PUBCHEM SID:3458 +CH$LINK: PUBCHEM CID:311 CH$LINK: INCHIKEY KRKNYBCHXYNGOX-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID3020332 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO000385.txt b/Keio_Univ/MSBNK-Keio_Univ-KO000385.txt index 7e4434dc95b..369f30dcb99 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO000385.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO000385.txt @@ -18,7 +18,7 @@ CH$LINK: CHEBI CHEBI:30769 CH$LINK: CHEMPDB CIT CH$LINK: KEGG C00158 CH$LINK: NIKKAJI J2.824J -CH$LINK: PUBCHEM SID:3458 +CH$LINK: PUBCHEM CID:311 CH$LINK: INCHIKEY KRKNYBCHXYNGOX-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID3020332 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO000386.txt b/Keio_Univ/MSBNK-Keio_Univ-KO000386.txt index 6024d8a4a37..2d18c8b4e63 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO000386.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO000386.txt @@ -16,7 +16,7 @@ CH$LINK: CAS 305-84-0 CH$LINK: CHEBI CHEBI:15727 CH$LINK: KEGG C00386 CH$LINK: NIKKAJI J5.496H -CH$LINK: PUBCHEM SID:3676 +CH$LINK: PUBCHEM CID:439224 CH$LINK: INCHIKEY CQOVPNPJLQNMDC-ZETCQYMHSA-N CH$LINK: COMPTOX DTXSID80879594 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO000387.txt b/Keio_Univ/MSBNK-Keio_Univ-KO000387.txt index 7d0459f7eb9..14c49b942c9 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO000387.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO000387.txt @@ -16,7 +16,7 @@ CH$LINK: CAS 305-84-0 CH$LINK: CHEBI CHEBI:15727 CH$LINK: KEGG C00386 CH$LINK: NIKKAJI J5.496H -CH$LINK: PUBCHEM SID:3676 +CH$LINK: PUBCHEM CID:439224 CH$LINK: INCHIKEY CQOVPNPJLQNMDC-ZETCQYMHSA-N CH$LINK: COMPTOX DTXSID80879594 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO000388.txt b/Keio_Univ/MSBNK-Keio_Univ-KO000388.txt index 522d0b7cf71..df9a36a1549 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO000388.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO000388.txt @@ -16,7 +16,7 @@ CH$LINK: CAS 305-84-0 CH$LINK: CHEBI CHEBI:15727 CH$LINK: KEGG C00386 CH$LINK: NIKKAJI J5.496H -CH$LINK: PUBCHEM SID:3676 +CH$LINK: PUBCHEM CID:439224 CH$LINK: INCHIKEY CQOVPNPJLQNMDC-ZETCQYMHSA-N CH$LINK: COMPTOX DTXSID80879594 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO000389.txt b/Keio_Univ/MSBNK-Keio_Univ-KO000389.txt index f339d9360a1..e3fe61a6838 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO000389.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO000389.txt @@ -16,7 +16,7 @@ CH$LINK: CAS 305-84-0 CH$LINK: CHEBI CHEBI:15727 CH$LINK: KEGG C00386 CH$LINK: NIKKAJI J5.496H -CH$LINK: PUBCHEM SID:3676 +CH$LINK: PUBCHEM CID:439224 CH$LINK: INCHIKEY CQOVPNPJLQNMDC-ZETCQYMHSA-N CH$LINK: COMPTOX DTXSID80879594 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO000390.txt b/Keio_Univ/MSBNK-Keio_Univ-KO000390.txt index 02996fe08d1..f9cacf306bf 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO000390.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO000390.txt @@ -16,7 +16,7 @@ CH$LINK: CAS 305-84-0 CH$LINK: CHEBI CHEBI:15727 CH$LINK: KEGG C00386 CH$LINK: NIKKAJI J5.496H -CH$LINK: PUBCHEM SID:3676 +CH$LINK: PUBCHEM CID:439224 CH$LINK: INCHIKEY CQOVPNPJLQNMDC-ZETCQYMHSA-N CH$LINK: COMPTOX DTXSID80879594 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO000391.txt b/Keio_Univ/MSBNK-Keio_Univ-KO000391.txt index 75db35624a0..0f85fa2ed1a 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO000391.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO000391.txt @@ -16,7 +16,7 @@ CH$LINK: CAS 372-75-8 CH$LINK: CHEBI CHEBI:16349 CH$LINK: KEGG C00327 CH$LINK: NIKKAJI J5.711H -CH$LINK: PUBCHEM SID:3621 +CH$LINK: PUBCHEM CID:9750 CH$LINK: INCHIKEY RHGKLRLOHDJJDR-BYPYZUCNSA-N CH$LINK: COMPTOX DTXSID80883373 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO000392.txt b/Keio_Univ/MSBNK-Keio_Univ-KO000392.txt index 360cb45cd8a..49ff3c3c078 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO000392.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO000392.txt @@ -16,7 +16,7 @@ CH$LINK: CAS 372-75-8 CH$LINK: CHEBI CHEBI:16349 CH$LINK: KEGG C00327 CH$LINK: NIKKAJI J5.711H -CH$LINK: PUBCHEM SID:3621 +CH$LINK: PUBCHEM CID:9750 CH$LINK: INCHIKEY RHGKLRLOHDJJDR-BYPYZUCNSA-N CH$LINK: COMPTOX DTXSID80883373 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO000393.txt b/Keio_Univ/MSBNK-Keio_Univ-KO000393.txt index d10646c738c..b6548a01f71 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO000393.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO000393.txt @@ -16,7 +16,7 @@ CH$LINK: CAS 372-75-8 CH$LINK: CHEBI CHEBI:16349 CH$LINK: KEGG C00327 CH$LINK: NIKKAJI J5.711H -CH$LINK: PUBCHEM SID:3621 +CH$LINK: PUBCHEM CID:9750 CH$LINK: INCHIKEY RHGKLRLOHDJJDR-BYPYZUCNSA-N CH$LINK: COMPTOX DTXSID80883373 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO000394.txt b/Keio_Univ/MSBNK-Keio_Univ-KO000394.txt index 2cfe4b42e42..caac14566ba 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO000394.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO000394.txt @@ -16,7 +16,7 @@ CH$LINK: CAS 372-75-8 CH$LINK: CHEBI CHEBI:16349 CH$LINK: KEGG C00327 CH$LINK: NIKKAJI J5.711H -CH$LINK: PUBCHEM SID:3621 +CH$LINK: PUBCHEM CID:9750 CH$LINK: INCHIKEY RHGKLRLOHDJJDR-BYPYZUCNSA-N CH$LINK: COMPTOX DTXSID80883373 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO000395.txt b/Keio_Univ/MSBNK-Keio_Univ-KO000395.txt index 65a40c2a5e6..b490f5771b3 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO000395.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO000395.txt @@ -16,7 +16,7 @@ CH$LINK: CAS 372-75-8 CH$LINK: CHEBI CHEBI:16349 CH$LINK: KEGG C00327 CH$LINK: NIKKAJI J5.711H -CH$LINK: PUBCHEM SID:3621 +CH$LINK: PUBCHEM CID:9750 CH$LINK: INCHIKEY RHGKLRLOHDJJDR-BYPYZUCNSA-N CH$LINK: COMPTOX DTXSID80883373 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO000396.txt b/Keio_Univ/MSBNK-Keio_Univ-KO000396.txt index 3cd38c68258..409ee2d58ce 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO000396.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO000396.txt @@ -19,7 +19,7 @@ CH$LINK: CAS 1115-65-7 CH$LINK: CHEBI CHEBI:16345 CH$LINK: KEGG C00606 CH$LINK: NIKKAJI J36.785K -CH$LINK: PUBCHEM SID:3881 +CH$LINK: PUBCHEM CID:1549098 CH$LINK: INCHIKEY ADVPTQAUNPRNPO-REOHCLBHSA-N CH$LINK: COMPTOX DTXSID20862546 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO000397.txt b/Keio_Univ/MSBNK-Keio_Univ-KO000397.txt index f815f371b98..9ea279466d0 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO000397.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO000397.txt @@ -19,7 +19,7 @@ CH$LINK: CAS 1115-65-7 CH$LINK: CHEBI CHEBI:16345 CH$LINK: KEGG C00606 CH$LINK: NIKKAJI J36.785K -CH$LINK: PUBCHEM SID:3881 +CH$LINK: PUBCHEM CID:1549098 CH$LINK: INCHIKEY ADVPTQAUNPRNPO-REOHCLBHSA-N CH$LINK: COMPTOX DTXSID20862546 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO000398.txt b/Keio_Univ/MSBNK-Keio_Univ-KO000398.txt index a387722fe70..89153ee199b 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO000398.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO000398.txt @@ -19,7 +19,7 @@ CH$LINK: CAS 1115-65-7 CH$LINK: CHEBI CHEBI:16345 CH$LINK: KEGG C00606 CH$LINK: NIKKAJI J36.785K -CH$LINK: PUBCHEM SID:3881 +CH$LINK: PUBCHEM CID:1549098 CH$LINK: INCHIKEY ADVPTQAUNPRNPO-REOHCLBHSA-N CH$LINK: COMPTOX DTXSID20862546 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO000399.txt b/Keio_Univ/MSBNK-Keio_Univ-KO000399.txt index 1391c258edf..8d2f7419dd7 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO000399.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO000399.txt @@ -19,7 +19,7 @@ CH$LINK: CAS 1115-65-7 CH$LINK: CHEBI CHEBI:16345 CH$LINK: KEGG C00606 CH$LINK: NIKKAJI J36.785K -CH$LINK: PUBCHEM SID:3881 +CH$LINK: PUBCHEM CID:1549098 CH$LINK: INCHIKEY ADVPTQAUNPRNPO-REOHCLBHSA-N CH$LINK: COMPTOX DTXSID20862546 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO000400.txt b/Keio_Univ/MSBNK-Keio_Univ-KO000400.txt index 14239311f59..a20fc002352 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO000400.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO000400.txt @@ -19,7 +19,7 @@ CH$LINK: CAS 1115-65-7 CH$LINK: CHEBI CHEBI:16345 CH$LINK: KEGG C00606 CH$LINK: NIKKAJI J36.785K -CH$LINK: PUBCHEM SID:3881 +CH$LINK: PUBCHEM CID:1549098 CH$LINK: INCHIKEY ADVPTQAUNPRNPO-REOHCLBHSA-N CH$LINK: COMPTOX DTXSID20862546 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO000401.txt b/Keio_Univ/MSBNK-Keio_Univ-KO000401.txt index 76ca851ace6..e396f40cdc3 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO000401.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO000401.txt @@ -15,7 +15,7 @@ CH$LINK: CAS 140-10-3 CH$LINK: CHEBI CHEBI:15669 CH$LINK: KEGG C00423 CH$LINK: NIKKAJI J2.024I -CH$LINK: PUBCHEM SID:3713 +CH$LINK: PUBCHEM CID:444539 CH$LINK: INCHIKEY WBYWAXJHAXSJNI-VOTSOKGWSA-N CH$LINK: COMPTOX DTXSID5022489 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO000402.txt b/Keio_Univ/MSBNK-Keio_Univ-KO000402.txt index 1aa61f60046..03429311174 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO000402.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO000402.txt @@ -15,7 +15,7 @@ CH$LINK: CAS 140-10-3 CH$LINK: CHEBI CHEBI:15669 CH$LINK: KEGG C00423 CH$LINK: NIKKAJI J2.024I -CH$LINK: PUBCHEM SID:3713 +CH$LINK: PUBCHEM CID:444539 CH$LINK: INCHIKEY WBYWAXJHAXSJNI-VOTSOKGWSA-N CH$LINK: COMPTOX DTXSID5022489 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO000403.txt b/Keio_Univ/MSBNK-Keio_Univ-KO000403.txt index 29b53a4d7bc..51e6fc1d12a 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO000403.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO000403.txt @@ -15,7 +15,7 @@ CH$LINK: CAS 140-10-3 CH$LINK: CHEBI CHEBI:15669 CH$LINK: KEGG C00423 CH$LINK: NIKKAJI J2.024I -CH$LINK: PUBCHEM SID:3713 +CH$LINK: PUBCHEM CID:444539 CH$LINK: INCHIKEY WBYWAXJHAXSJNI-VOTSOKGWSA-N CH$LINK: COMPTOX DTXSID5022489 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO000404.txt b/Keio_Univ/MSBNK-Keio_Univ-KO000404.txt index 56c669b2c75..678d651d01a 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO000404.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO000404.txt @@ -15,7 +15,7 @@ CH$LINK: CAS 140-10-3 CH$LINK: CHEBI CHEBI:15669 CH$LINK: KEGG C00423 CH$LINK: NIKKAJI J2.024I -CH$LINK: PUBCHEM SID:3713 +CH$LINK: PUBCHEM CID:444539 CH$LINK: INCHIKEY WBYWAXJHAXSJNI-VOTSOKGWSA-N CH$LINK: COMPTOX DTXSID5022489 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO000405.txt b/Keio_Univ/MSBNK-Keio_Univ-KO000405.txt index cfd2783c835..24b6e3ecc71 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO000405.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO000405.txt @@ -15,7 +15,7 @@ CH$LINK: CAS 140-10-3 CH$LINK: CHEBI CHEBI:15669 CH$LINK: KEGG C00423 CH$LINK: NIKKAJI J2.024I -CH$LINK: PUBCHEM SID:3713 +CH$LINK: PUBCHEM CID:444539 CH$LINK: INCHIKEY WBYWAXJHAXSJNI-VOTSOKGWSA-N CH$LINK: COMPTOX DTXSID5022489 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO000406.txt b/Keio_Univ/MSBNK-Keio_Univ-KO000406.txt index ba8033a10be..84bde3f301a 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO000406.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO000406.txt @@ -19,7 +19,7 @@ CH$IUPAC: InChI=1S/C9H8O3/c10-8-4-1-7(2-5-8)3-6-9(11)12/h1-6,10H,(H,11,12)/b6-3+ CH$LINK: CAS 7400-08-0 501-98-4 CH$LINK: CHEBI CHEBI:32374 CH$LINK: KEGG C00811 -CH$LINK: PUBCHEM SID:4069 +CH$LINK: PUBCHEM CID:637542 CH$LINK: INCHIKEY NGSWKAQJJWESNS-ZZXKWVIFSA-N CH$LINK: COMPTOX DTXSID30901076 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO000407.txt b/Keio_Univ/MSBNK-Keio_Univ-KO000407.txt index cab5b6131f2..bb8a3160abc 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO000407.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO000407.txt @@ -19,7 +19,7 @@ CH$IUPAC: InChI=1S/C9H8O3/c10-8-4-1-7(2-5-8)3-6-9(11)12/h1-6,10H,(H,11,12)/b6-3+ CH$LINK: CAS 7400-08-0 501-98-4 CH$LINK: CHEBI CHEBI:32374 CH$LINK: KEGG C00811 -CH$LINK: PUBCHEM SID:4069 +CH$LINK: PUBCHEM CID:637542 CH$LINK: INCHIKEY NGSWKAQJJWESNS-ZZXKWVIFSA-N CH$LINK: COMPTOX DTXSID30901076 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO000408.txt b/Keio_Univ/MSBNK-Keio_Univ-KO000408.txt index 1bece232149..ec1b9fe7e2b 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO000408.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO000408.txt @@ -19,7 +19,7 @@ CH$IUPAC: InChI=1S/C9H8O3/c10-8-4-1-7(2-5-8)3-6-9(11)12/h1-6,10H,(H,11,12)/b6-3+ CH$LINK: CAS 7400-08-0 501-98-4 CH$LINK: CHEBI CHEBI:32374 CH$LINK: KEGG C00811 -CH$LINK: PUBCHEM SID:4069 +CH$LINK: PUBCHEM CID:637542 CH$LINK: INCHIKEY NGSWKAQJJWESNS-ZZXKWVIFSA-N CH$LINK: COMPTOX DTXSID30901076 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO000409.txt b/Keio_Univ/MSBNK-Keio_Univ-KO000409.txt index 631e8c31c9e..e3fbb8eb786 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO000409.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO000409.txt @@ -19,7 +19,7 @@ CH$IUPAC: InChI=1S/C9H8O3/c10-8-4-1-7(2-5-8)3-6-9(11)12/h1-6,10H,(H,11,12)/b6-3+ CH$LINK: CAS 7400-08-0 501-98-4 CH$LINK: CHEBI CHEBI:32374 CH$LINK: KEGG C00811 -CH$LINK: PUBCHEM SID:4069 +CH$LINK: PUBCHEM CID:637542 CH$LINK: INCHIKEY NGSWKAQJJWESNS-ZZXKWVIFSA-N CH$LINK: COMPTOX DTXSID30901076 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO000410.txt b/Keio_Univ/MSBNK-Keio_Univ-KO000410.txt index 24a3dcdbb2d..b771cdd78ff 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO000410.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO000410.txt @@ -19,7 +19,7 @@ CH$IUPAC: InChI=1S/C9H8O3/c10-8-4-1-7(2-5-8)3-6-9(11)12/h1-6,10H,(H,11,12)/b6-3+ CH$LINK: CAS 7400-08-0 501-98-4 CH$LINK: CHEBI CHEBI:32374 CH$LINK: KEGG C00811 -CH$LINK: PUBCHEM SID:4069 +CH$LINK: PUBCHEM CID:637542 CH$LINK: INCHIKEY NGSWKAQJJWESNS-ZZXKWVIFSA-N CH$LINK: COMPTOX DTXSID30901076 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO000411.txt b/Keio_Univ/MSBNK-Keio_Univ-KO000411.txt index c2316dc0c37..324a81ac308 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO000411.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO000411.txt @@ -17,7 +17,7 @@ CH$LINK: CHEBI CHEBI:15859 CH$LINK: CHEMPDB NCD CH$LINK: KEGG C00438 CH$LINK: NIKKAJI J39.568D -CH$LINK: PUBCHEM SID:3727 +CH$LINK: PUBCHEM CID:93072 CH$LINK: INCHIKEY HLKXYZVTANABHZ-REOHCLBHSA-N AC$INSTRUMENT: API3000, Applied Biosystems AC$INSTRUMENT_TYPE: LC-ESI-QQ diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO000412.txt b/Keio_Univ/MSBNK-Keio_Univ-KO000412.txt index d17db9c3672..6d94e3562ac 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO000412.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO000412.txt @@ -17,7 +17,7 @@ CH$LINK: CHEBI CHEBI:15859 CH$LINK: CHEMPDB NCD CH$LINK: KEGG C00438 CH$LINK: NIKKAJI J39.568D -CH$LINK: PUBCHEM SID:3727 +CH$LINK: PUBCHEM CID:93072 CH$LINK: INCHIKEY HLKXYZVTANABHZ-REOHCLBHSA-N AC$INSTRUMENT: API3000, Applied Biosystems AC$INSTRUMENT_TYPE: LC-ESI-QQ diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO000413.txt b/Keio_Univ/MSBNK-Keio_Univ-KO000413.txt index 08459b86360..3ec7991c22b 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO000413.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO000413.txt @@ -17,7 +17,7 @@ CH$LINK: CHEBI CHEBI:15859 CH$LINK: CHEMPDB NCD CH$LINK: KEGG C00438 CH$LINK: NIKKAJI J39.568D -CH$LINK: PUBCHEM SID:3727 +CH$LINK: PUBCHEM CID:93072 CH$LINK: INCHIKEY HLKXYZVTANABHZ-REOHCLBHSA-N AC$INSTRUMENT: API3000, Applied Biosystems AC$INSTRUMENT_TYPE: LC-ESI-QQ diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO000414.txt b/Keio_Univ/MSBNK-Keio_Univ-KO000414.txt index 2bb46735fd3..8180d724054 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO000414.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO000414.txt @@ -17,7 +17,7 @@ CH$LINK: CHEBI CHEBI:15859 CH$LINK: CHEMPDB NCD CH$LINK: KEGG C00438 CH$LINK: NIKKAJI J39.568D -CH$LINK: PUBCHEM SID:3727 +CH$LINK: PUBCHEM CID:93072 CH$LINK: INCHIKEY HLKXYZVTANABHZ-REOHCLBHSA-N AC$INSTRUMENT: API3000, Applied Biosystems AC$INSTRUMENT_TYPE: LC-ESI-QQ diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO000415.txt b/Keio_Univ/MSBNK-Keio_Univ-KO000415.txt index 863392e2fb8..4900f052baf 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO000415.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO000415.txt @@ -17,7 +17,7 @@ CH$LINK: CHEBI CHEBI:15859 CH$LINK: CHEMPDB NCD CH$LINK: KEGG C00438 CH$LINK: NIKKAJI J39.568D -CH$LINK: PUBCHEM SID:3727 +CH$LINK: PUBCHEM CID:93072 CH$LINK: INCHIKEY HLKXYZVTANABHZ-REOHCLBHSA-N AC$INSTRUMENT: API3000, Applied Biosystems AC$INSTRUMENT_TYPE: LC-ESI-QQ diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO000416.txt b/Keio_Univ/MSBNK-Keio_Univ-KO000416.txt index 8de02b840a9..63f27b9bdd6 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO000416.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO000416.txt @@ -14,7 +14,7 @@ CH$LINK: CAS 71-30-7 CH$LINK: CHEBI CHEBI:16040 CH$LINK: KEGG C00380 CH$LINK: NIKKAJI J9.343B -CH$LINK: PUBCHEM SID:3670 +CH$LINK: PUBCHEM CID:597 CH$LINK: INCHIKEY OPTASPLRGRRNAP-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID4044456 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO000417.txt b/Keio_Univ/MSBNK-Keio_Univ-KO000417.txt index e79436e4be8..adab4a23706 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO000417.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO000417.txt @@ -14,7 +14,7 @@ CH$LINK: CAS 71-30-7 CH$LINK: CHEBI CHEBI:16040 CH$LINK: KEGG C00380 CH$LINK: NIKKAJI J9.343B -CH$LINK: PUBCHEM SID:3670 +CH$LINK: PUBCHEM CID:597 CH$LINK: INCHIKEY OPTASPLRGRRNAP-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID4044456 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO000418.txt b/Keio_Univ/MSBNK-Keio_Univ-KO000418.txt index 86c354e200d..0399f26d63b 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO000418.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO000418.txt @@ -14,7 +14,7 @@ CH$LINK: CAS 71-30-7 CH$LINK: CHEBI CHEBI:16040 CH$LINK: KEGG C00380 CH$LINK: NIKKAJI J9.343B -CH$LINK: PUBCHEM SID:3670 +CH$LINK: PUBCHEM CID:597 CH$LINK: INCHIKEY OPTASPLRGRRNAP-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID4044456 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO000419.txt b/Keio_Univ/MSBNK-Keio_Univ-KO000419.txt index 8e23cee2659..f5bac9cadbc 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO000419.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO000419.txt @@ -14,7 +14,7 @@ CH$LINK: CAS 71-30-7 CH$LINK: CHEBI CHEBI:16040 CH$LINK: KEGG C00380 CH$LINK: NIKKAJI J9.343B -CH$LINK: PUBCHEM SID:3670 +CH$LINK: PUBCHEM CID:597 CH$LINK: INCHIKEY OPTASPLRGRRNAP-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID4044456 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO000420.txt b/Keio_Univ/MSBNK-Keio_Univ-KO000420.txt index f2de574cbb8..1ef19518657 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO000420.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO000420.txt @@ -14,7 +14,7 @@ CH$LINK: CAS 71-30-7 CH$LINK: CHEBI CHEBI:16040 CH$LINK: KEGG C00380 CH$LINK: NIKKAJI J9.343B -CH$LINK: PUBCHEM SID:3670 +CH$LINK: PUBCHEM CID:597 CH$LINK: INCHIKEY OPTASPLRGRRNAP-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID4044456 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO000421.txt b/Keio_Univ/MSBNK-Keio_Univ-KO000421.txt index 2f8ee457378..337d064eb11 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO000421.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO000421.txt @@ -15,7 +15,7 @@ CH$LINK: CAS 60-27-5 CH$LINK: CHEBI CHEBI:16737 CH$LINK: KEGG C00791 CH$LINK: NIKKAJI J1.397H -CH$LINK: PUBCHEM SID:4049 +CH$LINK: PUBCHEM CID:588 CH$LINK: INCHIKEY DDRJAANPRJIHGJ-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID8045987 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO000422.txt b/Keio_Univ/MSBNK-Keio_Univ-KO000422.txt index 861bde84a57..1101a1d366f 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO000422.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO000422.txt @@ -15,7 +15,7 @@ CH$LINK: CAS 60-27-5 CH$LINK: CHEBI CHEBI:16737 CH$LINK: KEGG C00791 CH$LINK: NIKKAJI J1.397H -CH$LINK: PUBCHEM SID:4049 +CH$LINK: PUBCHEM CID:588 CH$LINK: INCHIKEY DDRJAANPRJIHGJ-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID8045987 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO000423.txt b/Keio_Univ/MSBNK-Keio_Univ-KO000423.txt index 8d1f53b5068..4b1ff663807 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO000423.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO000423.txt @@ -15,7 +15,7 @@ CH$LINK: CAS 60-27-5 CH$LINK: CHEBI CHEBI:16737 CH$LINK: KEGG C00791 CH$LINK: NIKKAJI J1.397H -CH$LINK: PUBCHEM SID:4049 +CH$LINK: PUBCHEM CID:588 CH$LINK: INCHIKEY DDRJAANPRJIHGJ-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID8045987 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO000424.txt b/Keio_Univ/MSBNK-Keio_Univ-KO000424.txt index 3e4f9df502f..854777ee2ed 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO000424.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO000424.txt @@ -15,7 +15,7 @@ CH$LINK: CAS 60-27-5 CH$LINK: CHEBI CHEBI:16737 CH$LINK: KEGG C00791 CH$LINK: NIKKAJI J1.397H -CH$LINK: PUBCHEM SID:4049 +CH$LINK: PUBCHEM CID:588 CH$LINK: INCHIKEY DDRJAANPRJIHGJ-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID8045987 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO000425.txt b/Keio_Univ/MSBNK-Keio_Univ-KO000425.txt index cb60376dc6d..6c34d394c78 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO000425.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO000425.txt @@ -15,7 +15,7 @@ CH$LINK: CAS 60-27-5 CH$LINK: CHEBI CHEBI:16737 CH$LINK: KEGG C00791 CH$LINK: NIKKAJI J1.397H -CH$LINK: PUBCHEM SID:4049 +CH$LINK: PUBCHEM CID:588 CH$LINK: INCHIKEY DDRJAANPRJIHGJ-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID8045987 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO000426.txt b/Keio_Univ/MSBNK-Keio_Univ-KO000426.txt index 40453a41b0c..0d1b1e7ab4e 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO000426.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO000426.txt @@ -18,7 +18,7 @@ CH$LINK: CAS 142-62-1 CH$LINK: CHEBI CHEBI:30776 CH$LINK: KEGG C01585 CH$LINK: NIKKAJI J2.546A -CH$LINK: PUBCHEM SID:4740 +CH$LINK: PUBCHEM CID:8892 CH$LINK: INCHIKEY FUZZWVXGSFPDMH-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID7021607 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO000427.txt b/Keio_Univ/MSBNK-Keio_Univ-KO000427.txt index b77c4ec01e0..cdbf2e36b30 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO000427.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO000427.txt @@ -18,7 +18,7 @@ CH$LINK: CAS 142-62-1 CH$LINK: CHEBI CHEBI:30776 CH$LINK: KEGG C01585 CH$LINK: NIKKAJI J2.546A -CH$LINK: PUBCHEM SID:4740 +CH$LINK: PUBCHEM CID:8892 CH$LINK: INCHIKEY FUZZWVXGSFPDMH-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID7021607 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO000428.txt b/Keio_Univ/MSBNK-Keio_Univ-KO000428.txt index 62931d6051d..ffbaf7dc8a4 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO000428.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO000428.txt @@ -18,7 +18,7 @@ CH$LINK: CAS 142-62-1 CH$LINK: CHEBI CHEBI:30776 CH$LINK: KEGG C01585 CH$LINK: NIKKAJI J2.546A -CH$LINK: PUBCHEM SID:4740 +CH$LINK: PUBCHEM CID:8892 CH$LINK: INCHIKEY FUZZWVXGSFPDMH-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID7021607 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO000429.txt b/Keio_Univ/MSBNK-Keio_Univ-KO000429.txt index f71382837d1..5390961e6b7 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO000429.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO000429.txt @@ -18,7 +18,7 @@ CH$LINK: CAS 142-62-1 CH$LINK: CHEBI CHEBI:30776 CH$LINK: KEGG C01585 CH$LINK: NIKKAJI J2.546A -CH$LINK: PUBCHEM SID:4740 +CH$LINK: PUBCHEM CID:8892 CH$LINK: INCHIKEY FUZZWVXGSFPDMH-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID7021607 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO000430.txt b/Keio_Univ/MSBNK-Keio_Univ-KO000430.txt index 72782cad0e2..b141c8d621e 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO000430.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO000430.txt @@ -17,7 +17,7 @@ CH$LINK: CAS 498-23-7 CH$LINK: CHEBI CHEBI:30719 CH$LINK: KEGG C02226 CH$LINK: NIKKAJI J6.106I -CH$LINK: PUBCHEM SID:5291 +CH$LINK: PUBCHEM CID:643798 CH$LINK: INCHIKEY HNEGQIOMVPPMNR-IHWYPQMZSA-N AC$INSTRUMENT: API3000, Applied Biosystems AC$INSTRUMENT_TYPE: LC-ESI-QQ diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO000431.txt b/Keio_Univ/MSBNK-Keio_Univ-KO000431.txt index 5d6a0e1e17d..9e81fd143b6 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO000431.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO000431.txt @@ -17,7 +17,7 @@ CH$LINK: CAS 498-23-7 CH$LINK: CHEBI CHEBI:30719 CH$LINK: KEGG C02226 CH$LINK: NIKKAJI J6.106I -CH$LINK: PUBCHEM SID:5291 +CH$LINK: PUBCHEM CID:643798 CH$LINK: INCHIKEY HNEGQIOMVPPMNR-IHWYPQMZSA-N AC$INSTRUMENT: API3000, Applied Biosystems AC$INSTRUMENT_TYPE: LC-ESI-QQ diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO000432.txt b/Keio_Univ/MSBNK-Keio_Univ-KO000432.txt index 8334a92abb8..01787099493 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO000432.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO000432.txt @@ -17,7 +17,7 @@ CH$LINK: CAS 498-23-7 CH$LINK: CHEBI CHEBI:30719 CH$LINK: KEGG C02226 CH$LINK: NIKKAJI J6.106I -CH$LINK: PUBCHEM SID:5291 +CH$LINK: PUBCHEM CID:643798 CH$LINK: INCHIKEY HNEGQIOMVPPMNR-IHWYPQMZSA-N AC$INSTRUMENT: API3000, Applied Biosystems AC$INSTRUMENT_TYPE: LC-ESI-QQ diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO000433.txt b/Keio_Univ/MSBNK-Keio_Univ-KO000433.txt index 6b734826331..d2a9c84d421 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO000433.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO000433.txt @@ -17,7 +17,7 @@ CH$LINK: CAS 498-23-7 CH$LINK: CHEBI CHEBI:30719 CH$LINK: KEGG C02226 CH$LINK: NIKKAJI J6.106I -CH$LINK: PUBCHEM SID:5291 +CH$LINK: PUBCHEM CID:643798 CH$LINK: INCHIKEY HNEGQIOMVPPMNR-IHWYPQMZSA-N AC$INSTRUMENT: API3000, Applied Biosystems AC$INSTRUMENT_TYPE: LC-ESI-QQ diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO000434.txt b/Keio_Univ/MSBNK-Keio_Univ-KO000434.txt index a5bea45164a..c6245298cdb 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO000434.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO000434.txt @@ -17,7 +17,7 @@ CH$LINK: CAS 498-23-7 CH$LINK: CHEBI CHEBI:30719 CH$LINK: KEGG C02226 CH$LINK: NIKKAJI J6.106I -CH$LINK: PUBCHEM SID:5291 +CH$LINK: PUBCHEM CID:643798 CH$LINK: INCHIKEY HNEGQIOMVPPMNR-IHWYPQMZSA-N AC$INSTRUMENT: API3000, Applied Biosystems AC$INSTRUMENT_TYPE: LC-ESI-QQ diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO000435.txt b/Keio_Univ/MSBNK-Keio_Univ-KO000435.txt index 41e52d90b96..f54cb52b6a0 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO000435.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO000435.txt @@ -18,7 +18,7 @@ CH$LINK: CHEBI CHEBI:28837 CH$LINK: CHEMPDB OCA CH$LINK: KEGG C06423 CH$LINK: NIKKAJI J2.013C -CH$LINK: PUBCHEM SID:8658 +CH$LINK: PUBCHEM CID:379 CH$LINK: INCHIKEY WWZKQHOCKIZLMA-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID3021645 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO000436.txt b/Keio_Univ/MSBNK-Keio_Univ-KO000436.txt index 7074b0cacbb..c41f73453b6 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO000436.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO000436.txt @@ -18,7 +18,7 @@ CH$LINK: CHEBI CHEBI:28837 CH$LINK: CHEMPDB OCA CH$LINK: KEGG C06423 CH$LINK: NIKKAJI J2.013C -CH$LINK: PUBCHEM SID:8658 +CH$LINK: PUBCHEM CID:379 CH$LINK: INCHIKEY WWZKQHOCKIZLMA-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID3021645 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO000437.txt b/Keio_Univ/MSBNK-Keio_Univ-KO000437.txt index 373e1afd9ee..1b4f2b8b5da 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO000437.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO000437.txt @@ -16,7 +16,7 @@ CH$LINK: CAS 119-67-5 CH$LINK: CHEBI CHEBI:17605 CH$LINK: KEGG C03057 CH$LINK: NIKKAJI J95.028I -CH$LINK: PUBCHEM SID:5957 +CH$LINK: PUBCHEM CID:8406 CH$LINK: INCHIKEY DYNFCHNNOHNJFG-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID1059490 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO000438.txt b/Keio_Univ/MSBNK-Keio_Univ-KO000438.txt index 72ed120353b..e18e5896d66 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO000438.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO000438.txt @@ -16,7 +16,7 @@ CH$LINK: CAS 119-67-5 CH$LINK: CHEBI CHEBI:17605 CH$LINK: KEGG C03057 CH$LINK: NIKKAJI J95.028I -CH$LINK: PUBCHEM SID:5957 +CH$LINK: PUBCHEM CID:8406 CH$LINK: INCHIKEY DYNFCHNNOHNJFG-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID1059490 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO000439.txt b/Keio_Univ/MSBNK-Keio_Univ-KO000439.txt index bdd1158418d..902de1ebbfb 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO000439.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO000439.txt @@ -16,7 +16,7 @@ CH$LINK: CAS 119-67-5 CH$LINK: CHEBI CHEBI:17605 CH$LINK: KEGG C03057 CH$LINK: NIKKAJI J95.028I -CH$LINK: PUBCHEM SID:5957 +CH$LINK: PUBCHEM CID:8406 CH$LINK: INCHIKEY DYNFCHNNOHNJFG-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID1059490 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO000440.txt b/Keio_Univ/MSBNK-Keio_Univ-KO000440.txt index 44c92dd8fef..dc9adf0796f 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO000440.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO000440.txt @@ -16,7 +16,7 @@ CH$LINK: CAS 119-67-5 CH$LINK: CHEBI CHEBI:17605 CH$LINK: KEGG C03057 CH$LINK: NIKKAJI J95.028I -CH$LINK: PUBCHEM SID:5957 +CH$LINK: PUBCHEM CID:8406 CH$LINK: INCHIKEY DYNFCHNNOHNJFG-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID1059490 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO000441.txt b/Keio_Univ/MSBNK-Keio_Univ-KO000441.txt index 8acb9933a8b..6772127c115 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO000441.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO000441.txt @@ -17,7 +17,7 @@ CH$LINK: CAS 614-60-8 CH$LINK: CHEBI CHEBI:18125 CH$LINK: KEGG C01772 CH$LINK: NIKKAJI J55.415D -CH$LINK: PUBCHEM SID:4905 +CH$LINK: PUBCHEM CID:637540 CH$LINK: INCHIKEY PMOWTIHVNWZYFI-AATRIKPKSA-N CH$LINK: COMPTOX DTXSID10883240 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO000442.txt b/Keio_Univ/MSBNK-Keio_Univ-KO000442.txt index ec63cddee91..efe21bb8843 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO000442.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO000442.txt @@ -17,7 +17,7 @@ CH$LINK: CAS 614-60-8 CH$LINK: CHEBI CHEBI:18125 CH$LINK: KEGG C01772 CH$LINK: NIKKAJI J55.415D -CH$LINK: PUBCHEM SID:4905 +CH$LINK: PUBCHEM CID:637540 CH$LINK: INCHIKEY PMOWTIHVNWZYFI-AATRIKPKSA-N CH$LINK: COMPTOX DTXSID10883240 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO000443.txt b/Keio_Univ/MSBNK-Keio_Univ-KO000443.txt index a25fa048494..876c4a3558c 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO000443.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO000443.txt @@ -17,7 +17,7 @@ CH$LINK: CAS 614-60-8 CH$LINK: CHEBI CHEBI:18125 CH$LINK: KEGG C01772 CH$LINK: NIKKAJI J55.415D -CH$LINK: PUBCHEM SID:4905 +CH$LINK: PUBCHEM CID:637540 CH$LINK: INCHIKEY PMOWTIHVNWZYFI-AATRIKPKSA-N CH$LINK: COMPTOX DTXSID10883240 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO000444.txt b/Keio_Univ/MSBNK-Keio_Univ-KO000444.txt index dc5e2fc5908..735b354e61a 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO000444.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO000444.txt @@ -17,7 +17,7 @@ CH$LINK: CAS 614-60-8 CH$LINK: CHEBI CHEBI:18125 CH$LINK: KEGG C01772 CH$LINK: NIKKAJI J55.415D -CH$LINK: PUBCHEM SID:4905 +CH$LINK: PUBCHEM CID:637540 CH$LINK: INCHIKEY PMOWTIHVNWZYFI-AATRIKPKSA-N CH$LINK: COMPTOX DTXSID10883240 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO000445.txt b/Keio_Univ/MSBNK-Keio_Univ-KO000445.txt index 3d48a436feb..e600a862598 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO000445.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO000445.txt @@ -17,7 +17,7 @@ CH$LINK: CAS 614-60-8 CH$LINK: CHEBI CHEBI:18125 CH$LINK: KEGG C01772 CH$LINK: NIKKAJI J55.415D -CH$LINK: PUBCHEM SID:4905 +CH$LINK: PUBCHEM CID:637540 CH$LINK: INCHIKEY PMOWTIHVNWZYFI-AATRIKPKSA-N CH$LINK: COMPTOX DTXSID10883240 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO000446.txt b/Keio_Univ/MSBNK-Keio_Univ-KO000446.txt index 919fa190320..1d62d2018c0 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO000446.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO000446.txt @@ -13,7 +13,7 @@ CH$IUPAC: InChI=1S/C12H9N/c1-3-7-11-9(5-1)10-6-2-4-8-12(10)13-11/h1-8,13H CH$LINK: CAS 86-74-8 CH$LINK: KEGG C08060 CH$LINK: NIKKAJI J3.896B -CH$LINK: PUBCHEM SID:10260 +CH$LINK: PUBCHEM CID:6854 CH$LINK: INCHIKEY UJOBWOGCFQCDNV-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID4020248 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO000447.txt b/Keio_Univ/MSBNK-Keio_Univ-KO000447.txt index 91b78538fbf..68f39370fe5 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO000447.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO000447.txt @@ -13,7 +13,7 @@ CH$IUPAC: InChI=1S/C12H9N/c1-3-7-11-9(5-1)10-6-2-4-8-12(10)13-11/h1-8,13H CH$LINK: CAS 86-74-8 CH$LINK: KEGG C08060 CH$LINK: NIKKAJI J3.896B -CH$LINK: PUBCHEM SID:10260 +CH$LINK: PUBCHEM CID:6854 CH$LINK: INCHIKEY UJOBWOGCFQCDNV-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID4020248 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO000448.txt b/Keio_Univ/MSBNK-Keio_Univ-KO000448.txt index 778417d9ba9..d54a51aa0b2 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO000448.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO000448.txt @@ -13,7 +13,7 @@ CH$IUPAC: InChI=1S/C12H9N/c1-3-7-11-9(5-1)10-6-2-4-8-12(10)13-11/h1-8,13H CH$LINK: CAS 86-74-8 CH$LINK: KEGG C08060 CH$LINK: NIKKAJI J3.896B -CH$LINK: PUBCHEM SID:10260 +CH$LINK: PUBCHEM CID:6854 CH$LINK: INCHIKEY UJOBWOGCFQCDNV-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID4020248 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO000449.txt b/Keio_Univ/MSBNK-Keio_Univ-KO000449.txt index ec16d339277..0964aa495e2 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO000449.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO000449.txt @@ -13,7 +13,7 @@ CH$IUPAC: InChI=1S/C12H9N/c1-3-7-11-9(5-1)10-6-2-4-8-12(10)13-11/h1-8,13H CH$LINK: CAS 86-74-8 CH$LINK: KEGG C08060 CH$LINK: NIKKAJI J3.896B -CH$LINK: PUBCHEM SID:10260 +CH$LINK: PUBCHEM CID:6854 CH$LINK: INCHIKEY UJOBWOGCFQCDNV-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID4020248 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO000450.txt b/Keio_Univ/MSBNK-Keio_Univ-KO000450.txt index 1dbf07dea71..0e1cc9150ff 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO000450.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO000450.txt @@ -13,7 +13,7 @@ CH$IUPAC: InChI=1S/C12H9N/c1-3-7-11-9(5-1)10-6-2-4-8-12(10)13-11/h1-8,13H CH$LINK: CAS 86-74-8 CH$LINK: KEGG C08060 CH$LINK: NIKKAJI J3.896B -CH$LINK: PUBCHEM SID:10260 +CH$LINK: PUBCHEM CID:6854 CH$LINK: INCHIKEY UJOBWOGCFQCDNV-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID4020248 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO000451.txt b/Keio_Univ/MSBNK-Keio_Univ-KO000451.txt index 00da93a015a..49f5a839df7 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO000451.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO000451.txt @@ -13,7 +13,7 @@ CH$IUPAC: InChI=1S/C7H4ClNO2/c8-4-1-2-6-5(3-4)9-7(10)11-6/h1-3H,(H,9,10) CH$LINK: CAS 95-25-0 CH$LINK: KEGG C07931 CH$LINK: NIKKAJI J3.950K -CH$LINK: PUBCHEM SID:10133 +CH$LINK: PUBCHEM CID:2733 CH$LINK: INCHIKEY TZFWDZFKRBELIQ-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID9022813 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO000452.txt b/Keio_Univ/MSBNK-Keio_Univ-KO000452.txt index 80b1074fbb1..8584877eacf 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO000452.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO000452.txt @@ -13,7 +13,7 @@ CH$IUPAC: InChI=1S/C7H4ClNO2/c8-4-1-2-6-5(3-4)9-7(10)11-6/h1-3H,(H,9,10) CH$LINK: CAS 95-25-0 CH$LINK: KEGG C07931 CH$LINK: NIKKAJI J3.950K -CH$LINK: PUBCHEM SID:10133 +CH$LINK: PUBCHEM CID:2733 CH$LINK: INCHIKEY TZFWDZFKRBELIQ-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID9022813 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO000453.txt b/Keio_Univ/MSBNK-Keio_Univ-KO000453.txt index 8deefd2829b..8b8e4fb3ccf 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO000453.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO000453.txt @@ -13,7 +13,7 @@ CH$IUPAC: InChI=1S/C7H4ClNO2/c8-4-1-2-6-5(3-4)9-7(10)11-6/h1-3H,(H,9,10) CH$LINK: CAS 95-25-0 CH$LINK: KEGG C07931 CH$LINK: NIKKAJI J3.950K -CH$LINK: PUBCHEM SID:10133 +CH$LINK: PUBCHEM CID:2733 CH$LINK: INCHIKEY TZFWDZFKRBELIQ-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID9022813 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO000454.txt b/Keio_Univ/MSBNK-Keio_Univ-KO000454.txt index 0a595e9b7bf..e06d5d444ae 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO000454.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO000454.txt @@ -13,7 +13,7 @@ CH$IUPAC: InChI=1S/C7H4ClNO2/c8-4-1-2-6-5(3-4)9-7(10)11-6/h1-3H,(H,9,10) CH$LINK: CAS 95-25-0 CH$LINK: KEGG C07931 CH$LINK: NIKKAJI J3.950K -CH$LINK: PUBCHEM SID:10133 +CH$LINK: PUBCHEM CID:2733 CH$LINK: INCHIKEY TZFWDZFKRBELIQ-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID9022813 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO000455.txt b/Keio_Univ/MSBNK-Keio_Univ-KO000455.txt index 293dd80cf09..7f8cfe21afc 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO000455.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO000455.txt @@ -13,7 +13,7 @@ CH$IUPAC: InChI=1S/C7H4ClNO2/c8-4-1-2-6-5(3-4)9-7(10)11-6/h1-3H,(H,9,10) CH$LINK: CAS 95-25-0 CH$LINK: KEGG C07931 CH$LINK: NIKKAJI J3.950K -CH$LINK: PUBCHEM SID:10133 +CH$LINK: PUBCHEM CID:2733 CH$LINK: INCHIKEY TZFWDZFKRBELIQ-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID9022813 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO000461.txt b/Keio_Univ/MSBNK-Keio_Univ-KO000461.txt index 64119201e15..5e70791e03b 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO000461.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO000461.txt @@ -18,7 +18,7 @@ CH$LINK: CHEBI CHEBI:16359 CH$LINK: CHEMPDB CHD CH$LINK: KEGG C00695 CH$LINK: NIKKAJI J8.604E -CH$LINK: PUBCHEM SID:3963 +CH$LINK: PUBCHEM CID:221493 CH$LINK: INCHIKEY BHQCQFFYRZLCQQ-OELDTZBJSA-N CH$LINK: COMPTOX DTXSID6040660 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO000462.txt b/Keio_Univ/MSBNK-Keio_Univ-KO000462.txt index 5e2eadb09e0..76e29da1cc6 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO000462.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO000462.txt @@ -18,7 +18,7 @@ CH$LINK: CHEBI CHEBI:16359 CH$LINK: CHEMPDB CHD CH$LINK: KEGG C00695 CH$LINK: NIKKAJI J8.604E -CH$LINK: PUBCHEM SID:3963 +CH$LINK: PUBCHEM CID:221493 CH$LINK: INCHIKEY BHQCQFFYRZLCQQ-OELDTZBJSA-N CH$LINK: COMPTOX DTXSID6040660 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO000463.txt b/Keio_Univ/MSBNK-Keio_Univ-KO000463.txt index 9dc24e479dc..f0d553538bf 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO000463.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO000463.txt @@ -18,7 +18,7 @@ CH$LINK: CHEBI CHEBI:16359 CH$LINK: CHEMPDB CHD CH$LINK: KEGG C00695 CH$LINK: NIKKAJI J8.604E -CH$LINK: PUBCHEM SID:3963 +CH$LINK: PUBCHEM CID:221493 CH$LINK: INCHIKEY BHQCQFFYRZLCQQ-OELDTZBJSA-N CH$LINK: COMPTOX DTXSID6040660 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO000464.txt b/Keio_Univ/MSBNK-Keio_Univ-KO000464.txt index e6b04d7ea1c..13c74c39694 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO000464.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO000464.txt @@ -18,7 +18,7 @@ CH$LINK: CHEBI CHEBI:16359 CH$LINK: CHEMPDB CHD CH$LINK: KEGG C00695 CH$LINK: NIKKAJI J8.604E -CH$LINK: PUBCHEM SID:3963 +CH$LINK: PUBCHEM CID:221493 CH$LINK: INCHIKEY BHQCQFFYRZLCQQ-OELDTZBJSA-N CH$LINK: COMPTOX DTXSID6040660 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO000465.txt b/Keio_Univ/MSBNK-Keio_Univ-KO000465.txt index 3978a96834e..29bcf289acd 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO000465.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO000465.txt @@ -18,7 +18,7 @@ CH$LINK: CHEBI CHEBI:16359 CH$LINK: CHEMPDB CHD CH$LINK: KEGG C00695 CH$LINK: NIKKAJI J8.604E -CH$LINK: PUBCHEM SID:3963 +CH$LINK: PUBCHEM CID:221493 CH$LINK: INCHIKEY BHQCQFFYRZLCQQ-OELDTZBJSA-N CH$LINK: COMPTOX DTXSID6040660 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO000471.txt b/Keio_Univ/MSBNK-Keio_Univ-KO000471.txt index a5d51d39b6f..e811e7a2fb5 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO000471.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO000471.txt @@ -20,7 +20,7 @@ CH$LINK: CAS 154-87-0 CH$LINK: CHEBI CHEBI:18290 CH$LINK: KEGG C00068 CH$LINK: NIKKAJI J237.475G -CH$LINK: PUBCHEM SID:3368 +CH$LINK: PUBCHEM CID:1132 CH$LINK: INCHIKEY AYEKOFBPNLCAJY-UHFFFAOYSA-O CH$LINK: COMPTOX DTXSID2048404 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO000472.txt b/Keio_Univ/MSBNK-Keio_Univ-KO000472.txt index 08c6fa6f727..0275b58bfb9 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO000472.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO000472.txt @@ -20,7 +20,7 @@ CH$LINK: CAS 154-87-0 CH$LINK: CHEBI CHEBI:18290 CH$LINK: KEGG C00068 CH$LINK: NIKKAJI J237.475G -CH$LINK: PUBCHEM SID:3368 +CH$LINK: PUBCHEM CID:1132 CH$LINK: INCHIKEY AYEKOFBPNLCAJY-UHFFFAOYSA-O CH$LINK: COMPTOX DTXSID2048404 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO000473.txt b/Keio_Univ/MSBNK-Keio_Univ-KO000473.txt index 88c8bf8ce1d..e5773d5f9cc 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO000473.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO000473.txt @@ -20,7 +20,7 @@ CH$LINK: CAS 154-87-0 CH$LINK: CHEBI CHEBI:18290 CH$LINK: KEGG C00068 CH$LINK: NIKKAJI J237.475G -CH$LINK: PUBCHEM SID:3368 +CH$LINK: PUBCHEM CID:1132 CH$LINK: INCHIKEY AYEKOFBPNLCAJY-UHFFFAOYSA-O CH$LINK: COMPTOX DTXSID2048404 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO000474.txt b/Keio_Univ/MSBNK-Keio_Univ-KO000474.txt index 1b596bd1831..9a2669d7025 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO000474.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO000474.txt @@ -20,7 +20,7 @@ CH$LINK: CAS 154-87-0 CH$LINK: CHEBI CHEBI:18290 CH$LINK: KEGG C00068 CH$LINK: NIKKAJI J237.475G -CH$LINK: PUBCHEM SID:3368 +CH$LINK: PUBCHEM CID:1132 CH$LINK: INCHIKEY AYEKOFBPNLCAJY-UHFFFAOYSA-O CH$LINK: COMPTOX DTXSID2048404 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO000475.txt b/Keio_Univ/MSBNK-Keio_Univ-KO000475.txt index f50dfb29c81..aeeacb32c50 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO000475.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO000475.txt @@ -20,7 +20,7 @@ CH$LINK: CAS 154-87-0 CH$LINK: CHEBI CHEBI:18290 CH$LINK: KEGG C00068 CH$LINK: NIKKAJI J237.475G -CH$LINK: PUBCHEM SID:3368 +CH$LINK: PUBCHEM CID:1132 CH$LINK: INCHIKEY AYEKOFBPNLCAJY-UHFFFAOYSA-O CH$LINK: COMPTOX DTXSID2048404 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO000476.txt b/Keio_Univ/MSBNK-Keio_Univ-KO000476.txt index fdc8e29bc75..516683e87ae 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO000476.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO000476.txt @@ -13,7 +13,7 @@ CH$EXACT_MASS: 190.05897 CH$SMILES: OC(=O)CC[C@H](NC(N)=O)C(O)=O CH$IUPAC: InChI=1S/C6H10N2O5/c7-6(13)8-3(5(11)12)1-2-4(9)10/h3H,1-2H2,(H,9,10)(H,11,12)(H3,7,8,13)/t3-/m0/s1 CH$LINK: KEGG C05829 -CH$LINK: PUBCHEM SID:8123 +CH$LINK: PUBCHEM CID:121396 CH$LINK: INCHIKEY LCQLHJZYVOQKHU-VKHMYHEASA-N CH$LINK: COMPTOX DTXSID7046706 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO000477.txt b/Keio_Univ/MSBNK-Keio_Univ-KO000477.txt index 824bc15584a..2ae2dae2404 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO000477.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO000477.txt @@ -13,7 +13,7 @@ CH$EXACT_MASS: 190.05897 CH$SMILES: OC(=O)CC[C@H](NC(N)=O)C(O)=O CH$IUPAC: InChI=1S/C6H10N2O5/c7-6(13)8-3(5(11)12)1-2-4(9)10/h3H,1-2H2,(H,9,10)(H,11,12)(H3,7,8,13)/t3-/m0/s1 CH$LINK: KEGG C05829 -CH$LINK: PUBCHEM SID:8123 +CH$LINK: PUBCHEM CID:121396 CH$LINK: INCHIKEY LCQLHJZYVOQKHU-VKHMYHEASA-N CH$LINK: COMPTOX DTXSID7046706 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO000478.txt b/Keio_Univ/MSBNK-Keio_Univ-KO000478.txt index 3cf1dc76709..2b14af4178c 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO000478.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO000478.txt @@ -13,7 +13,7 @@ CH$EXACT_MASS: 190.05897 CH$SMILES: OC(=O)CC[C@H](NC(N)=O)C(O)=O CH$IUPAC: InChI=1S/C6H10N2O5/c7-6(13)8-3(5(11)12)1-2-4(9)10/h3H,1-2H2,(H,9,10)(H,11,12)(H3,7,8,13)/t3-/m0/s1 CH$LINK: KEGG C05829 -CH$LINK: PUBCHEM SID:8123 +CH$LINK: PUBCHEM CID:121396 CH$LINK: INCHIKEY LCQLHJZYVOQKHU-VKHMYHEASA-N CH$LINK: COMPTOX DTXSID7046706 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO000479.txt b/Keio_Univ/MSBNK-Keio_Univ-KO000479.txt index f45ecc9ac66..ac8051922c1 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO000479.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO000479.txt @@ -13,7 +13,7 @@ CH$EXACT_MASS: 190.05897 CH$SMILES: OC(=O)CC[C@H](NC(N)=O)C(O)=O CH$IUPAC: InChI=1S/C6H10N2O5/c7-6(13)8-3(5(11)12)1-2-4(9)10/h3H,1-2H2,(H,9,10)(H,11,12)(H3,7,8,13)/t3-/m0/s1 CH$LINK: KEGG C05829 -CH$LINK: PUBCHEM SID:8123 +CH$LINK: PUBCHEM CID:121396 CH$LINK: INCHIKEY LCQLHJZYVOQKHU-VKHMYHEASA-N CH$LINK: COMPTOX DTXSID7046706 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO000480.txt b/Keio_Univ/MSBNK-Keio_Univ-KO000480.txt index ce9eccf9155..e0f87f998e7 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO000480.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO000480.txt @@ -13,7 +13,7 @@ CH$EXACT_MASS: 190.05897 CH$SMILES: OC(=O)CC[C@H](NC(N)=O)C(O)=O CH$IUPAC: InChI=1S/C6H10N2O5/c7-6(13)8-3(5(11)12)1-2-4(9)10/h3H,1-2H2,(H,9,10)(H,11,12)(H3,7,8,13)/t3-/m0/s1 CH$LINK: KEGG C05829 -CH$LINK: PUBCHEM SID:8123 +CH$LINK: PUBCHEM CID:121396 CH$LINK: INCHIKEY LCQLHJZYVOQKHU-VKHMYHEASA-N CH$LINK: COMPTOX DTXSID7046706 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO000481.txt b/Keio_Univ/MSBNK-Keio_Univ-KO000481.txt index 14cd1f4f06f..f7ce17163f0 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO000481.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO000481.txt @@ -16,7 +16,7 @@ CH$LINK: CAS 118-91-2 CH$LINK: CHEBI CHEBI:30793 CH$LINK: KEGG C02357 CH$LINK: NIKKAJI J26.900J -CH$LINK: PUBCHEM SID:5404 +CH$LINK: PUBCHEM CID:8374 CH$LINK: INCHIKEY IKCLCGXPQILATA-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID4024771 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO000482.txt b/Keio_Univ/MSBNK-Keio_Univ-KO000482.txt index 0303b8f0f9d..0a4c2a4d6f7 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO000482.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO000482.txt @@ -16,7 +16,7 @@ CH$LINK: CAS 118-91-2 CH$LINK: CHEBI CHEBI:30793 CH$LINK: KEGG C02357 CH$LINK: NIKKAJI J26.900J -CH$LINK: PUBCHEM SID:5404 +CH$LINK: PUBCHEM CID:8374 CH$LINK: INCHIKEY IKCLCGXPQILATA-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID4024771 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO000483.txt b/Keio_Univ/MSBNK-Keio_Univ-KO000483.txt index 297831e2944..42045b7f81f 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO000483.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO000483.txt @@ -16,7 +16,7 @@ CH$LINK: CAS 118-91-2 CH$LINK: CHEBI CHEBI:30793 CH$LINK: KEGG C02357 CH$LINK: NIKKAJI J26.900J -CH$LINK: PUBCHEM SID:5404 +CH$LINK: PUBCHEM CID:8374 CH$LINK: INCHIKEY IKCLCGXPQILATA-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID4024771 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO000484.txt b/Keio_Univ/MSBNK-Keio_Univ-KO000484.txt index 97640f9e528..6319e62eb7d 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO000484.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO000484.txt @@ -16,7 +16,7 @@ CH$LINK: CAS 118-91-2 CH$LINK: CHEBI CHEBI:30793 CH$LINK: KEGG C02357 CH$LINK: NIKKAJI J26.900J -CH$LINK: PUBCHEM SID:5404 +CH$LINK: PUBCHEM CID:8374 CH$LINK: INCHIKEY IKCLCGXPQILATA-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID4024771 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO000485.txt b/Keio_Univ/MSBNK-Keio_Univ-KO000485.txt index 4922e147ee4..5470f571b47 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO000485.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO000485.txt @@ -16,7 +16,7 @@ CH$LINK: CAS 118-91-2 CH$LINK: CHEBI CHEBI:30793 CH$LINK: KEGG C02357 CH$LINK: NIKKAJI J26.900J -CH$LINK: PUBCHEM SID:5404 +CH$LINK: PUBCHEM CID:8374 CH$LINK: INCHIKEY IKCLCGXPQILATA-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID4024771 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO000486.txt b/Keio_Univ/MSBNK-Keio_Univ-KO000486.txt index d0388320767..9d9a8e41fb6 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO000486.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO000486.txt @@ -17,7 +17,7 @@ CH$LINK: CAS 3724-65-0 CH$LINK: CHEBI CHEBI:17217 CH$LINK: KEGG C01771 CH$LINK: NIKKAJI J109.464E -CH$LINK: PUBCHEM SID:4904 +CH$LINK: PUBCHEM CID:637090 CH$LINK: INCHIKEY LDHQCZJRKDOVOX-NSCUHMNNSA-N CH$LINK: COMPTOX DTXSID30880973 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO000487.txt b/Keio_Univ/MSBNK-Keio_Univ-KO000487.txt index 5fd7f7ef6a7..eb13f588f55 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO000487.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO000487.txt @@ -17,7 +17,7 @@ CH$LINK: CAS 3724-65-0 CH$LINK: CHEBI CHEBI:17217 CH$LINK: KEGG C01771 CH$LINK: NIKKAJI J109.464E -CH$LINK: PUBCHEM SID:4904 +CH$LINK: PUBCHEM CID:637090 CH$LINK: INCHIKEY LDHQCZJRKDOVOX-NSCUHMNNSA-N CH$LINK: COMPTOX DTXSID30880973 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO000488.txt b/Keio_Univ/MSBNK-Keio_Univ-KO000488.txt index a730b7d8363..6517f802bde 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO000488.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO000488.txt @@ -17,7 +17,7 @@ CH$LINK: CAS 3724-65-0 CH$LINK: CHEBI CHEBI:17217 CH$LINK: KEGG C01771 CH$LINK: NIKKAJI J109.464E -CH$LINK: PUBCHEM SID:4904 +CH$LINK: PUBCHEM CID:637090 CH$LINK: INCHIKEY LDHQCZJRKDOVOX-NSCUHMNNSA-N CH$LINK: COMPTOX DTXSID30880973 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO000489.txt b/Keio_Univ/MSBNK-Keio_Univ-KO000489.txt index bb00925498f..34f821d0b92 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO000489.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO000489.txt @@ -17,7 +17,7 @@ CH$LINK: CAS 3724-65-0 CH$LINK: CHEBI CHEBI:17217 CH$LINK: KEGG C01771 CH$LINK: NIKKAJI J109.464E -CH$LINK: PUBCHEM SID:4904 +CH$LINK: PUBCHEM CID:637090 CH$LINK: INCHIKEY LDHQCZJRKDOVOX-NSCUHMNNSA-N CH$LINK: COMPTOX DTXSID30880973 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO000490.txt b/Keio_Univ/MSBNK-Keio_Univ-KO000490.txt index c2b513a176e..6b058d5e9b2 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO000490.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO000490.txt @@ -15,7 +15,7 @@ CH$IUPAC: InChI=1S/C5H12N4O3/c6-3(4(10)11)1-2-12-9-5(7)8/h3H,1-2,6H2,(H,10,11)(H CH$LINK: CAS 543-38-4 CH$LINK: KEGG C00308 CH$LINK: NIKKAJI J9.236C -CH$LINK: PUBCHEM SID:3602 +CH$LINK: PUBCHEM CID:439202 CH$LINK: INCHIKEY FSBIGDSBMBYOPN-VKHMYHEASA-N CH$LINK: COMPTOX DTXSID5045041 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO000491.txt b/Keio_Univ/MSBNK-Keio_Univ-KO000491.txt index 911542795ac..0712b7e5bb9 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO000491.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO000491.txt @@ -15,7 +15,7 @@ CH$IUPAC: InChI=1S/C5H12N4O3/c6-3(4(10)11)1-2-12-9-5(7)8/h3H,1-2,6H2,(H,10,11)(H CH$LINK: CAS 543-38-4 CH$LINK: KEGG C00308 CH$LINK: NIKKAJI J9.236C -CH$LINK: PUBCHEM SID:3602 +CH$LINK: PUBCHEM CID:439202 CH$LINK: INCHIKEY FSBIGDSBMBYOPN-VKHMYHEASA-N CH$LINK: COMPTOX DTXSID5045041 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO000492.txt b/Keio_Univ/MSBNK-Keio_Univ-KO000492.txt index f2d19bfcae3..553fb68565a 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO000492.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO000492.txt @@ -15,7 +15,7 @@ CH$IUPAC: InChI=1S/C5H12N4O3/c6-3(4(10)11)1-2-12-9-5(7)8/h3H,1-2,6H2,(H,10,11)(H CH$LINK: CAS 543-38-4 CH$LINK: KEGG C00308 CH$LINK: NIKKAJI J9.236C -CH$LINK: PUBCHEM SID:3602 +CH$LINK: PUBCHEM CID:439202 CH$LINK: INCHIKEY FSBIGDSBMBYOPN-VKHMYHEASA-N CH$LINK: COMPTOX DTXSID5045041 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO000493.txt b/Keio_Univ/MSBNK-Keio_Univ-KO000493.txt index 8026b057830..6ea5f6e210d 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO000493.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO000493.txt @@ -15,7 +15,7 @@ CH$IUPAC: InChI=1S/C5H12N4O3/c6-3(4(10)11)1-2-12-9-5(7)8/h3H,1-2,6H2,(H,10,11)(H CH$LINK: CAS 543-38-4 CH$LINK: KEGG C00308 CH$LINK: NIKKAJI J9.236C -CH$LINK: PUBCHEM SID:3602 +CH$LINK: PUBCHEM CID:439202 CH$LINK: INCHIKEY FSBIGDSBMBYOPN-VKHMYHEASA-N CH$LINK: COMPTOX DTXSID5045041 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO000494.txt b/Keio_Univ/MSBNK-Keio_Univ-KO000494.txt index 88e119446d6..d2e61c9592c 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO000494.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO000494.txt @@ -15,7 +15,7 @@ CH$IUPAC: InChI=1S/C5H12N4O3/c6-3(4(10)11)1-2-12-9-5(7)8/h3H,1-2,6H2,(H,10,11)(H CH$LINK: CAS 543-38-4 CH$LINK: KEGG C00308 CH$LINK: NIKKAJI J9.236C -CH$LINK: PUBCHEM SID:3602 +CH$LINK: PUBCHEM CID:439202 CH$LINK: INCHIKEY FSBIGDSBMBYOPN-VKHMYHEASA-N CH$LINK: COMPTOX DTXSID5045041 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO000495.txt b/Keio_Univ/MSBNK-Keio_Univ-KO000495.txt index 92e01ca58cc..57c7549e5ae 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO000495.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO000495.txt @@ -18,7 +18,7 @@ CH$LINK: CHEBI CHEBI:16359 CH$LINK: CHEMPDB CHD CH$LINK: KEGG C00695 CH$LINK: NIKKAJI J8.604E -CH$LINK: PUBCHEM SID:3963 +CH$LINK: PUBCHEM CID:221493 CH$LINK: INCHIKEY BHQCQFFYRZLCQQ-OELDTZBJSA-N CH$LINK: COMPTOX DTXSID6040660 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO000496.txt b/Keio_Univ/MSBNK-Keio_Univ-KO000496.txt index d7087900599..690ccb5dda1 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO000496.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO000496.txt @@ -18,7 +18,7 @@ CH$LINK: CHEBI CHEBI:16359 CH$LINK: CHEMPDB CHD CH$LINK: KEGG C00695 CH$LINK: NIKKAJI J8.604E -CH$LINK: PUBCHEM SID:3963 +CH$LINK: PUBCHEM CID:221493 CH$LINK: INCHIKEY BHQCQFFYRZLCQQ-OELDTZBJSA-N CH$LINK: COMPTOX DTXSID6040660 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO000497.txt b/Keio_Univ/MSBNK-Keio_Univ-KO000497.txt index 1b88b3b6a7c..5b1847290a1 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO000497.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO000497.txt @@ -18,7 +18,7 @@ CH$LINK: CHEBI CHEBI:16359 CH$LINK: CHEMPDB CHD CH$LINK: KEGG C00695 CH$LINK: NIKKAJI J8.604E -CH$LINK: PUBCHEM SID:3963 +CH$LINK: PUBCHEM CID:221493 CH$LINK: INCHIKEY BHQCQFFYRZLCQQ-OELDTZBJSA-N CH$LINK: COMPTOX DTXSID6040660 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO000498.txt b/Keio_Univ/MSBNK-Keio_Univ-KO000498.txt index 0deeee344e6..53f7548bc0a 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO000498.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO000498.txt @@ -18,7 +18,7 @@ CH$LINK: CHEBI CHEBI:16359 CH$LINK: CHEMPDB CHD CH$LINK: KEGG C00695 CH$LINK: NIKKAJI J8.604E -CH$LINK: PUBCHEM SID:3963 +CH$LINK: PUBCHEM CID:221493 CH$LINK: INCHIKEY BHQCQFFYRZLCQQ-OELDTZBJSA-N CH$LINK: COMPTOX DTXSID6040660 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO000499.txt b/Keio_Univ/MSBNK-Keio_Univ-KO000499.txt index bc78a065015..7f596f29f04 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO000499.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO000499.txt @@ -18,7 +18,7 @@ CH$LINK: CHEBI CHEBI:16359 CH$LINK: CHEMPDB CHD CH$LINK: KEGG C00695 CH$LINK: NIKKAJI J8.604E -CH$LINK: PUBCHEM SID:3963 +CH$LINK: PUBCHEM CID:221493 CH$LINK: INCHIKEY BHQCQFFYRZLCQQ-OELDTZBJSA-N CH$LINK: COMPTOX DTXSID6040660 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO000505.txt b/Keio_Univ/MSBNK-Keio_Univ-KO000505.txt index 131dde24f02..09fafc03116 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO000505.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO000505.txt @@ -16,7 +16,7 @@ CH$LINK: CHEBI CHEBI:30747 CH$LINK: CHEMPDB 174 CH$LINK: KEGG C02370 CH$LINK: NIKKAJI J5.259K -CH$LINK: PUBCHEM SID:5412 +CH$LINK: PUBCHEM CID:6318 CH$LINK: INCHIKEY XRHGYUZYPHTUJZ-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID9024772 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO000506.txt b/Keio_Univ/MSBNK-Keio_Univ-KO000506.txt index 837195c7f74..303e8977e28 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO000506.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO000506.txt @@ -16,7 +16,7 @@ CH$LINK: CHEBI CHEBI:30747 CH$LINK: CHEMPDB 174 CH$LINK: KEGG C02370 CH$LINK: NIKKAJI J5.259K -CH$LINK: PUBCHEM SID:5412 +CH$LINK: PUBCHEM CID:6318 CH$LINK: INCHIKEY XRHGYUZYPHTUJZ-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID9024772 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO000507.txt b/Keio_Univ/MSBNK-Keio_Univ-KO000507.txt index 9b023ec4a4f..a38da962496 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO000507.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO000507.txt @@ -16,7 +16,7 @@ CH$LINK: CHEBI CHEBI:30747 CH$LINK: CHEMPDB 174 CH$LINK: KEGG C02370 CH$LINK: NIKKAJI J5.259K -CH$LINK: PUBCHEM SID:5412 +CH$LINK: PUBCHEM CID:6318 CH$LINK: INCHIKEY XRHGYUZYPHTUJZ-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID9024772 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO000508.txt b/Keio_Univ/MSBNK-Keio_Univ-KO000508.txt index 7147ead61b0..ebba547e6eb 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO000508.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO000508.txt @@ -16,7 +16,7 @@ CH$LINK: CHEBI CHEBI:30747 CH$LINK: CHEMPDB 174 CH$LINK: KEGG C02370 CH$LINK: NIKKAJI J5.259K -CH$LINK: PUBCHEM SID:5412 +CH$LINK: PUBCHEM CID:6318 CH$LINK: INCHIKEY XRHGYUZYPHTUJZ-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID9024772 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO000509.txt b/Keio_Univ/MSBNK-Keio_Univ-KO000509.txt index dbd60b3627d..5ba95f3a2aa 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO000509.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO000509.txt @@ -16,7 +16,7 @@ CH$LINK: CHEBI CHEBI:30747 CH$LINK: CHEMPDB 174 CH$LINK: KEGG C02370 CH$LINK: NIKKAJI J5.259K -CH$LINK: PUBCHEM SID:5412 +CH$LINK: PUBCHEM CID:6318 CH$LINK: INCHIKEY XRHGYUZYPHTUJZ-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID9024772 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO000520.txt b/Keio_Univ/MSBNK-Keio_Univ-KO000520.txt index eb0a2596564..d2b5da81907 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO000520.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO000520.txt @@ -15,7 +15,7 @@ CH$IUPAC: InChI=1S/C9H13N3O5/c10-5-1-2-12(9(16)11-5)8-7(15)6(14)4(3-13)17-8/h1-2 CH$LINK: CAS 147-94-4 CH$LINK: KEGG C02961 CH$LINK: NIKKAJI J2.958K -CH$LINK: PUBCHEM SID:5877 +CH$LINK: PUBCHEM CID:6253 CH$LINK: INCHIKEY UHDGCWIWMRVCDJ-CCXZUQQUSA-N CH$LINK: COMPTOX DTXSID3022877 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO000521.txt b/Keio_Univ/MSBNK-Keio_Univ-KO000521.txt index 5adedfdedc0..ed87df9f430 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO000521.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO000521.txt @@ -15,7 +15,7 @@ CH$IUPAC: InChI=1S/C9H13N3O5/c10-5-1-2-12(9(16)11-5)8-7(15)6(14)4(3-13)17-8/h1-2 CH$LINK: CAS 147-94-4 CH$LINK: KEGG C02961 CH$LINK: NIKKAJI J2.958K -CH$LINK: PUBCHEM SID:5877 +CH$LINK: PUBCHEM CID:6253 CH$LINK: INCHIKEY UHDGCWIWMRVCDJ-CCXZUQQUSA-N CH$LINK: COMPTOX DTXSID3022877 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO000522.txt b/Keio_Univ/MSBNK-Keio_Univ-KO000522.txt index af4fd6be6b5..b963681b884 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO000522.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO000522.txt @@ -15,7 +15,7 @@ CH$IUPAC: InChI=1S/C9H13N3O5/c10-5-1-2-12(9(16)11-5)8-7(15)6(14)4(3-13)17-8/h1-2 CH$LINK: CAS 147-94-4 CH$LINK: KEGG C02961 CH$LINK: NIKKAJI J2.958K -CH$LINK: PUBCHEM SID:5877 +CH$LINK: PUBCHEM CID:6253 CH$LINK: INCHIKEY UHDGCWIWMRVCDJ-CCXZUQQUSA-N CH$LINK: COMPTOX DTXSID3022877 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO000523.txt b/Keio_Univ/MSBNK-Keio_Univ-KO000523.txt index d7f3d66c6ae..5300186e0b8 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO000523.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO000523.txt @@ -15,7 +15,7 @@ CH$IUPAC: InChI=1S/C9H13N3O5/c10-5-1-2-12(9(16)11-5)8-7(15)6(14)4(3-13)17-8/h1-2 CH$LINK: CAS 147-94-4 CH$LINK: KEGG C02961 CH$LINK: NIKKAJI J2.958K -CH$LINK: PUBCHEM SID:5877 +CH$LINK: PUBCHEM CID:6253 CH$LINK: INCHIKEY UHDGCWIWMRVCDJ-CCXZUQQUSA-N CH$LINK: COMPTOX DTXSID3022877 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO000524.txt b/Keio_Univ/MSBNK-Keio_Univ-KO000524.txt index a476b65c2e0..a909f68beb4 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO000524.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO000524.txt @@ -15,7 +15,7 @@ CH$IUPAC: InChI=1S/C9H13N3O5/c10-5-1-2-12(9(16)11-5)8-7(15)6(14)4(3-13)17-8/h1-2 CH$LINK: CAS 147-94-4 CH$LINK: KEGG C02961 CH$LINK: NIKKAJI J2.958K -CH$LINK: PUBCHEM SID:5877 +CH$LINK: PUBCHEM CID:6253 CH$LINK: INCHIKEY UHDGCWIWMRVCDJ-CCXZUQQUSA-N CH$LINK: COMPTOX DTXSID3022877 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO000525.txt b/Keio_Univ/MSBNK-Keio_Univ-KO000525.txt index f02a37f5365..3cecffbeb17 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO000525.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO000525.txt @@ -13,7 +13,7 @@ CH$SMILES: N[C@H](C(O)=O)CSS(O)(=O)=O CH$IUPAC: InChI=1S/C3H7NO5S2/c4-2(3(5)6)1-10-11(7,8)9/h2H,1,4H2,(H,5,6)(H,7,8,9)/t2-/m0/s1 CH$LINK: CAS 1637-71-4 CH$LINK: KEGG C05824 -CH$LINK: PUBCHEM SID:8119 +CH$LINK: PUBCHEM CID:115015 CH$LINK: INCHIKEY NOKPBJYHPHHWAN-REOHCLBHSA-N CH$LINK: COMPTOX DTXSID20167649 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO000526.txt b/Keio_Univ/MSBNK-Keio_Univ-KO000526.txt index 804af0b8229..d1878a9ba4e 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO000526.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO000526.txt @@ -13,7 +13,7 @@ CH$SMILES: N[C@H](C(O)=O)CSS(O)(=O)=O CH$IUPAC: InChI=1S/C3H7NO5S2/c4-2(3(5)6)1-10-11(7,8)9/h2H,1,4H2,(H,5,6)(H,7,8,9)/t2-/m0/s1 CH$LINK: CAS 1637-71-4 CH$LINK: KEGG C05824 -CH$LINK: PUBCHEM SID:8119 +CH$LINK: PUBCHEM CID:115015 CH$LINK: INCHIKEY NOKPBJYHPHHWAN-REOHCLBHSA-N CH$LINK: COMPTOX DTXSID20167649 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO000527.txt b/Keio_Univ/MSBNK-Keio_Univ-KO000527.txt index 9256816bc16..e501e2de594 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO000527.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO000527.txt @@ -13,7 +13,7 @@ CH$SMILES: N[C@H](C(O)=O)CSS(O)(=O)=O CH$IUPAC: InChI=1S/C3H7NO5S2/c4-2(3(5)6)1-10-11(7,8)9/h2H,1,4H2,(H,5,6)(H,7,8,9)/t2-/m0/s1 CH$LINK: CAS 1637-71-4 CH$LINK: KEGG C05824 -CH$LINK: PUBCHEM SID:8119 +CH$LINK: PUBCHEM CID:115015 CH$LINK: INCHIKEY NOKPBJYHPHHWAN-REOHCLBHSA-N CH$LINK: COMPTOX DTXSID20167649 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO000528.txt b/Keio_Univ/MSBNK-Keio_Univ-KO000528.txt index e4b1f8571df..7b1e6a26066 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO000528.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO000528.txt @@ -13,7 +13,7 @@ CH$SMILES: N[C@H](C(O)=O)CSS(O)(=O)=O CH$IUPAC: InChI=1S/C3H7NO5S2/c4-2(3(5)6)1-10-11(7,8)9/h2H,1,4H2,(H,5,6)(H,7,8,9)/t2-/m0/s1 CH$LINK: CAS 1637-71-4 CH$LINK: KEGG C05824 -CH$LINK: PUBCHEM SID:8119 +CH$LINK: PUBCHEM CID:115015 CH$LINK: INCHIKEY NOKPBJYHPHHWAN-REOHCLBHSA-N CH$LINK: COMPTOX DTXSID20167649 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO000529.txt b/Keio_Univ/MSBNK-Keio_Univ-KO000529.txt index 00558970616..1390251714a 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO000529.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO000529.txt @@ -13,7 +13,7 @@ CH$SMILES: N[C@H](C(O)=O)CSS(O)(=O)=O CH$IUPAC: InChI=1S/C3H7NO5S2/c4-2(3(5)6)1-10-11(7,8)9/h2H,1,4H2,(H,5,6)(H,7,8,9)/t2-/m0/s1 CH$LINK: CAS 1637-71-4 CH$LINK: KEGG C05824 -CH$LINK: PUBCHEM SID:8119 +CH$LINK: PUBCHEM CID:115015 CH$LINK: INCHIKEY NOKPBJYHPHHWAN-REOHCLBHSA-N CH$LINK: COMPTOX DTXSID20167649 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO000530.txt b/Keio_Univ/MSBNK-Keio_Univ-KO000530.txt index 2920998094a..6e4c6fcdcf5 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO000530.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO000530.txt @@ -15,7 +15,7 @@ CH$IUPAC: InChI=1S/C8H7ClO3/c9-6-1-3-7(4-2-6)12-5-8(10)11/h1-4H,5H2,(H,10,11) CH$LINK: CAS 122-88-3 CH$LINK: KEGG C07088 CH$LINK: NIKKAJI J2.495C -CH$LINK: PUBCHEM SID:9299 +CH$LINK: PUBCHEM CID:26229 CH$LINK: INCHIKEY SODPIMGUZLOIPE-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID9034282 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO000531.txt b/Keio_Univ/MSBNK-Keio_Univ-KO000531.txt index 580d106226e..52745b314c4 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO000531.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO000531.txt @@ -15,7 +15,7 @@ CH$IUPAC: InChI=1S/C8H7ClO3/c9-6-1-3-7(4-2-6)12-5-8(10)11/h1-4H,5H2,(H,10,11) CH$LINK: CAS 122-88-3 CH$LINK: KEGG C07088 CH$LINK: NIKKAJI J2.495C -CH$LINK: PUBCHEM SID:9299 +CH$LINK: PUBCHEM CID:26229 CH$LINK: INCHIKEY SODPIMGUZLOIPE-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID9034282 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO000532.txt b/Keio_Univ/MSBNK-Keio_Univ-KO000532.txt index 0ab965f14c1..f2cdca11459 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO000532.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO000532.txt @@ -15,7 +15,7 @@ CH$IUPAC: InChI=1S/C8H7ClO3/c9-6-1-3-7(4-2-6)12-5-8(10)11/h1-4H,5H2,(H,10,11) CH$LINK: CAS 122-88-3 CH$LINK: KEGG C07088 CH$LINK: NIKKAJI J2.495C -CH$LINK: PUBCHEM SID:9299 +CH$LINK: PUBCHEM CID:26229 CH$LINK: INCHIKEY SODPIMGUZLOIPE-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID9034282 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO000533.txt b/Keio_Univ/MSBNK-Keio_Univ-KO000533.txt index df8c75b2ffe..d73f83fe24a 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO000533.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO000533.txt @@ -15,7 +15,7 @@ CH$IUPAC: InChI=1S/C8H7ClO3/c9-6-1-3-7(4-2-6)12-5-8(10)11/h1-4H,5H2,(H,10,11) CH$LINK: CAS 122-88-3 CH$LINK: KEGG C07088 CH$LINK: NIKKAJI J2.495C -CH$LINK: PUBCHEM SID:9299 +CH$LINK: PUBCHEM CID:26229 CH$LINK: INCHIKEY SODPIMGUZLOIPE-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID9034282 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO000534.txt b/Keio_Univ/MSBNK-Keio_Univ-KO000534.txt index 9251bb0ab4f..6700765aabb 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO000534.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO000534.txt @@ -15,7 +15,7 @@ CH$IUPAC: InChI=1S/C8H7ClO3/c9-6-1-3-7(4-2-6)12-5-8(10)11/h1-4H,5H2,(H,10,11) CH$LINK: CAS 122-88-3 CH$LINK: KEGG C07088 CH$LINK: NIKKAJI J2.495C -CH$LINK: PUBCHEM SID:9299 +CH$LINK: PUBCHEM CID:26229 CH$LINK: INCHIKEY SODPIMGUZLOIPE-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID9034282 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO000535.txt b/Keio_Univ/MSBNK-Keio_Univ-KO000535.txt index e7c23409a7b..f1450fe5860 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO000535.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO000535.txt @@ -15,7 +15,7 @@ CH$IUPAC: InChI=1S/C10H12O2/c1-7(2)8-3-5-9(6-4-8)10(11)12/h3-7H,1-2H3,(H,11,12) CH$LINK: CAS 536-66-3 CH$LINK: KEGG C06578 CH$LINK: NIKKAJI J6.354A -CH$LINK: PUBCHEM SID:8807 +CH$LINK: PUBCHEM CID:10820 CH$LINK: INCHIKEY CKMXAIVXVKGGFM-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID6060210 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO000536.txt b/Keio_Univ/MSBNK-Keio_Univ-KO000536.txt index 3153c30d7f3..ff58244eefb 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO000536.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO000536.txt @@ -15,7 +15,7 @@ CH$IUPAC: InChI=1S/C10H12O2/c1-7(2)8-3-5-9(6-4-8)10(11)12/h3-7H,1-2H3,(H,11,12) CH$LINK: CAS 536-66-3 CH$LINK: KEGG C06578 CH$LINK: NIKKAJI J6.354A -CH$LINK: PUBCHEM SID:8807 +CH$LINK: PUBCHEM CID:10820 CH$LINK: INCHIKEY CKMXAIVXVKGGFM-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID6060210 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO000537.txt b/Keio_Univ/MSBNK-Keio_Univ-KO000537.txt index 6192bd6d418..0f91e314da9 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO000537.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO000537.txt @@ -15,7 +15,7 @@ CH$IUPAC: InChI=1S/C10H12O2/c1-7(2)8-3-5-9(6-4-8)10(11)12/h3-7H,1-2H3,(H,11,12) CH$LINK: CAS 536-66-3 CH$LINK: KEGG C06578 CH$LINK: NIKKAJI J6.354A -CH$LINK: PUBCHEM SID:8807 +CH$LINK: PUBCHEM CID:10820 CH$LINK: INCHIKEY CKMXAIVXVKGGFM-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID6060210 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO000538.txt b/Keio_Univ/MSBNK-Keio_Univ-KO000538.txt index feb243ac8be..05969526525 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO000538.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO000538.txt @@ -15,7 +15,7 @@ CH$IUPAC: InChI=1S/C10H12O2/c1-7(2)8-3-5-9(6-4-8)10(11)12/h3-7H,1-2H3,(H,11,12) CH$LINK: CAS 536-66-3 CH$LINK: KEGG C06578 CH$LINK: NIKKAJI J6.354A -CH$LINK: PUBCHEM SID:8807 +CH$LINK: PUBCHEM CID:10820 CH$LINK: INCHIKEY CKMXAIVXVKGGFM-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID6060210 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO000539.txt b/Keio_Univ/MSBNK-Keio_Univ-KO000539.txt index 7282b52d96c..55837c3aece 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO000539.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO000539.txt @@ -16,7 +16,7 @@ CH$IUPAC: InChI=1S/C7H12O2/c8-7(9)6-4-2-1-3-5-6/h6H,1-5H2,(H,8,9) CH$LINK: CAS 98-89-5 CH$LINK: KEGG C09822 CH$LINK: NIKKAJI J38.185C -CH$LINK: PUBCHEM SID:12010 +CH$LINK: PUBCHEM CID:7413 CH$LINK: INCHIKEY NZNMSOFKMUBTKW-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID8059180 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO000540.txt b/Keio_Univ/MSBNK-Keio_Univ-KO000540.txt index b799b445b8d..d15b55a6e3e 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO000540.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO000540.txt @@ -16,7 +16,7 @@ CH$IUPAC: InChI=1S/C7H12O2/c8-7(9)6-4-2-1-3-5-6/h6H,1-5H2,(H,8,9) CH$LINK: CAS 98-89-5 CH$LINK: KEGG C09822 CH$LINK: NIKKAJI J38.185C -CH$LINK: PUBCHEM SID:12010 +CH$LINK: PUBCHEM CID:7413 CH$LINK: INCHIKEY NZNMSOFKMUBTKW-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID8059180 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO000541.txt b/Keio_Univ/MSBNK-Keio_Univ-KO000541.txt index ce5cc8d95d0..e9763571109 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO000541.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO000541.txt @@ -16,7 +16,7 @@ CH$IUPAC: InChI=1S/C7H12O2/c8-7(9)6-4-2-1-3-5-6/h6H,1-5H2,(H,8,9) CH$LINK: CAS 98-89-5 CH$LINK: KEGG C09822 CH$LINK: NIKKAJI J38.185C -CH$LINK: PUBCHEM SID:12010 +CH$LINK: PUBCHEM CID:7413 CH$LINK: INCHIKEY NZNMSOFKMUBTKW-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID8059180 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO000542.txt b/Keio_Univ/MSBNK-Keio_Univ-KO000542.txt index 717b028f368..8cf56798a6e 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO000542.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO000542.txt @@ -16,7 +16,7 @@ CH$IUPAC: InChI=1S/C7H12O2/c8-7(9)6-4-2-1-3-5-6/h6H,1-5H2,(H,8,9) CH$LINK: CAS 98-89-5 CH$LINK: KEGG C09822 CH$LINK: NIKKAJI J38.185C -CH$LINK: PUBCHEM SID:12010 +CH$LINK: PUBCHEM CID:7413 CH$LINK: INCHIKEY NZNMSOFKMUBTKW-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID8059180 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO000543.txt b/Keio_Univ/MSBNK-Keio_Univ-KO000543.txt index f9590be6988..1ca79aaad8a 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO000543.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO000543.txt @@ -16,7 +16,7 @@ CH$IUPAC: InChI=1S/C7H12O2/c8-7(9)6-4-2-1-3-5-6/h6H,1-5H2,(H,8,9) CH$LINK: CAS 98-89-5 CH$LINK: KEGG C09822 CH$LINK: NIKKAJI J38.185C -CH$LINK: PUBCHEM SID:12010 +CH$LINK: PUBCHEM CID:7413 CH$LINK: INCHIKEY NZNMSOFKMUBTKW-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID8059180 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO000549.txt b/Keio_Univ/MSBNK-Keio_Univ-KO000549.txt index be2021e9453..d6f4ba2f8cd 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO000549.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO000549.txt @@ -14,7 +14,7 @@ CH$SMILES: OCC(O1)C(O)CC1OP(O)(O)=O CH$IUPAC: InChI=1S/C5H11O7P/c6-2-4-3(7)1-5(11-4)12-13(8,9)10/h3-7H,1-2H2,(H2,8,9,10)/t3-,4+,5+/m0/s1 CH$LINK: CHEBI CHEBI:28542 CH$LINK: KEGG C00672 -CH$LINK: PUBCHEM SID:3941 +CH$LINK: PUBCHEM CID:5460448 CH$LINK: INCHIKEY KBDKAJNTYKVSEK-VPENINKCSA-N AC$INSTRUMENT: API3000, Applied Biosystems AC$INSTRUMENT_TYPE: LC-ESI-QQ diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO000550.txt b/Keio_Univ/MSBNK-Keio_Univ-KO000550.txt index 2ca31aad14c..7793ad12d87 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO000550.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO000550.txt @@ -14,7 +14,7 @@ CH$SMILES: OCC(O1)C(O)CC1OP(O)(O)=O CH$IUPAC: InChI=1S/C5H11O7P/c6-2-4-3(7)1-5(11-4)12-13(8,9)10/h3-7H,1-2H2,(H2,8,9,10)/t3-,4+,5+/m0/s1 CH$LINK: CHEBI CHEBI:28542 CH$LINK: KEGG C00672 -CH$LINK: PUBCHEM SID:3941 +CH$LINK: PUBCHEM CID:5460448 CH$LINK: INCHIKEY KBDKAJNTYKVSEK-VPENINKCSA-N AC$INSTRUMENT: API3000, Applied Biosystems AC$INSTRUMENT_TYPE: LC-ESI-QQ diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO000551.txt b/Keio_Univ/MSBNK-Keio_Univ-KO000551.txt index 329077d9f16..8967bd67259 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO000551.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO000551.txt @@ -14,7 +14,7 @@ CH$SMILES: OCC(O1)C(O)CC1OP(O)(O)=O CH$IUPAC: InChI=1S/C5H11O7P/c6-2-4-3(7)1-5(11-4)12-13(8,9)10/h3-7H,1-2H2,(H2,8,9,10)/t3-,4+,5+/m0/s1 CH$LINK: CHEBI CHEBI:28542 CH$LINK: KEGG C00672 -CH$LINK: PUBCHEM SID:3941 +CH$LINK: PUBCHEM CID:5460448 CH$LINK: INCHIKEY KBDKAJNTYKVSEK-VPENINKCSA-N AC$INSTRUMENT: API3000, Applied Biosystems AC$INSTRUMENT_TYPE: LC-ESI-QQ diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO000552.txt b/Keio_Univ/MSBNK-Keio_Univ-KO000552.txt index a30ad5bf951..d82a6a9fd82 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO000552.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO000552.txt @@ -14,7 +14,7 @@ CH$SMILES: OCC(O1)C(O)CC1OP(O)(O)=O CH$IUPAC: InChI=1S/C5H11O7P/c6-2-4-3(7)1-5(11-4)12-13(8,9)10/h3-7H,1-2H2,(H2,8,9,10)/t3-,4+,5+/m0/s1 CH$LINK: CHEBI CHEBI:28542 CH$LINK: KEGG C00672 -CH$LINK: PUBCHEM SID:3941 +CH$LINK: PUBCHEM CID:5460448 CH$LINK: INCHIKEY KBDKAJNTYKVSEK-VPENINKCSA-N AC$INSTRUMENT: API3000, Applied Biosystems AC$INSTRUMENT_TYPE: LC-ESI-QQ diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO000553.txt b/Keio_Univ/MSBNK-Keio_Univ-KO000553.txt index 3ccd9ccb480..ea24e089c31 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO000553.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO000553.txt @@ -14,7 +14,7 @@ CH$SMILES: OCC(O1)C(O)CC1OP(O)(O)=O CH$IUPAC: InChI=1S/C5H11O7P/c6-2-4-3(7)1-5(11-4)12-13(8,9)10/h3-7H,1-2H2,(H2,8,9,10)/t3-,4+,5+/m0/s1 CH$LINK: CHEBI CHEBI:28542 CH$LINK: KEGG C00672 -CH$LINK: PUBCHEM SID:3941 +CH$LINK: PUBCHEM CID:5460448 CH$LINK: INCHIKEY KBDKAJNTYKVSEK-VPENINKCSA-N AC$INSTRUMENT: API3000, Applied Biosystems AC$INSTRUMENT_TYPE: LC-ESI-QQ diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO000554.txt b/Keio_Univ/MSBNK-Keio_Univ-KO000554.txt index 0f2f0925c48..5f65f9a5f10 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO000554.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO000554.txt @@ -13,7 +13,7 @@ CH$SMILES: OCC(=O)COP(O)(O)=O CH$IUPAC: InChI=1S/C3H7O6P/c4-1-3(5)2-9-10(6,7)8/h4H,1-2H2,(H2,6,7,8) CH$LINK: CHEBI CHEBI:16108 CH$LINK: KEGG C00111 -CH$LINK: PUBCHEM SID:3411 +CH$LINK: PUBCHEM CID:668 CH$LINK: INCHIKEY GNGACRATGGDKBX-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID6058768 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO000555.txt b/Keio_Univ/MSBNK-Keio_Univ-KO000555.txt index 6645fcb4256..b82b0f13119 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO000555.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO000555.txt @@ -13,7 +13,7 @@ CH$SMILES: OCC(=O)COP(O)(O)=O CH$IUPAC: InChI=1S/C3H7O6P/c4-1-3(5)2-9-10(6,7)8/h4H,1-2H2,(H2,6,7,8) CH$LINK: CHEBI CHEBI:16108 CH$LINK: KEGG C00111 -CH$LINK: PUBCHEM SID:3411 +CH$LINK: PUBCHEM CID:668 CH$LINK: INCHIKEY GNGACRATGGDKBX-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID6058768 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO000556.txt b/Keio_Univ/MSBNK-Keio_Univ-KO000556.txt index 28b192d6858..0551b1b4c84 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO000556.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO000556.txt @@ -13,7 +13,7 @@ CH$SMILES: OCC(=O)COP(O)(O)=O CH$IUPAC: InChI=1S/C3H7O6P/c4-1-3(5)2-9-10(6,7)8/h4H,1-2H2,(H2,6,7,8) CH$LINK: CHEBI CHEBI:16108 CH$LINK: KEGG C00111 -CH$LINK: PUBCHEM SID:3411 +CH$LINK: PUBCHEM CID:668 CH$LINK: INCHIKEY GNGACRATGGDKBX-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID6058768 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO000557.txt b/Keio_Univ/MSBNK-Keio_Univ-KO000557.txt index ae9d17ecf40..c620c723e91 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO000557.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO000557.txt @@ -13,7 +13,7 @@ CH$SMILES: OCC(=O)COP(O)(O)=O CH$IUPAC: InChI=1S/C3H7O6P/c4-1-3(5)2-9-10(6,7)8/h4H,1-2H2,(H2,6,7,8) CH$LINK: CHEBI CHEBI:16108 CH$LINK: KEGG C00111 -CH$LINK: PUBCHEM SID:3411 +CH$LINK: PUBCHEM CID:668 CH$LINK: INCHIKEY GNGACRATGGDKBX-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID6058768 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO000558.txt b/Keio_Univ/MSBNK-Keio_Univ-KO000558.txt index 5f63fbb2cd7..491058cbf2c 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO000558.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO000558.txt @@ -13,7 +13,7 @@ CH$SMILES: OCC(=O)COP(O)(O)=O CH$IUPAC: InChI=1S/C3H7O6P/c4-1-3(5)2-9-10(6,7)8/h4H,1-2H2,(H2,6,7,8) CH$LINK: CHEBI CHEBI:16108 CH$LINK: KEGG C00111 -CH$LINK: PUBCHEM SID:3411 +CH$LINK: PUBCHEM CID:668 CH$LINK: INCHIKEY GNGACRATGGDKBX-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID6058768 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO000559.txt b/Keio_Univ/MSBNK-Keio_Univ-KO000559.txt index ee00c48068e..bfb14c38a2a 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO000559.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO000559.txt @@ -16,7 +16,7 @@ CH$SMILES: OC(=O)[C@@H](COP(O)(O)=O)OP(O)(O)=O CH$IUPAC: InChI=1S/C3H8O10P2/c4-3(5)2(13-15(9,10)11)1-12-14(6,7)8/h2H,1H2,(H,4,5)(H2,6,7,8)(H2,9,10,11)/t2-/m1/s1 CH$LINK: CHEBI CHEBI:17720 CH$LINK: KEGG C01159 -CH$LINK: PUBCHEM SID:4387 +CH$LINK: PUBCHEM CID:186004 CH$LINK: INCHIKEY XOHUEYCVLUUEJJ-UWTATZPHSA-N AC$INSTRUMENT: API3000, Applied Biosystems AC$INSTRUMENT_TYPE: LC-ESI-QQ diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO000560.txt b/Keio_Univ/MSBNK-Keio_Univ-KO000560.txt index 73f8bae54da..c31030741a8 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO000560.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO000560.txt @@ -16,7 +16,7 @@ CH$SMILES: OC(=O)[C@@H](COP(O)(O)=O)OP(O)(O)=O CH$IUPAC: InChI=1S/C3H8O10P2/c4-3(5)2(13-15(9,10)11)1-12-14(6,7)8/h2H,1H2,(H,4,5)(H2,6,7,8)(H2,9,10,11)/t2-/m1/s1 CH$LINK: CHEBI CHEBI:17720 CH$LINK: KEGG C01159 -CH$LINK: PUBCHEM SID:4387 +CH$LINK: PUBCHEM CID:186004 CH$LINK: INCHIKEY XOHUEYCVLUUEJJ-UWTATZPHSA-N AC$INSTRUMENT: API3000, Applied Biosystems AC$INSTRUMENT_TYPE: LC-ESI-QQ diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO000561.txt b/Keio_Univ/MSBNK-Keio_Univ-KO000561.txt index 83679fd3e33..a3c494bb7fc 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO000561.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO000561.txt @@ -16,7 +16,7 @@ CH$SMILES: OC(=O)[C@@H](COP(O)(O)=O)OP(O)(O)=O CH$IUPAC: InChI=1S/C3H8O10P2/c4-3(5)2(13-15(9,10)11)1-12-14(6,7)8/h2H,1H2,(H,4,5)(H2,6,7,8)(H2,9,10,11)/t2-/m1/s1 CH$LINK: CHEBI CHEBI:17720 CH$LINK: KEGG C01159 -CH$LINK: PUBCHEM SID:4387 +CH$LINK: PUBCHEM CID:186004 CH$LINK: INCHIKEY XOHUEYCVLUUEJJ-UWTATZPHSA-N AC$INSTRUMENT: API3000, Applied Biosystems AC$INSTRUMENT_TYPE: LC-ESI-QQ diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO000562.txt b/Keio_Univ/MSBNK-Keio_Univ-KO000562.txt index ea20d2293d7..9f7c9bf5e6e 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO000562.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO000562.txt @@ -16,7 +16,7 @@ CH$SMILES: OC(=O)[C@@H](COP(O)(O)=O)OP(O)(O)=O CH$IUPAC: InChI=1S/C3H8O10P2/c4-3(5)2(13-15(9,10)11)1-12-14(6,7)8/h2H,1H2,(H,4,5)(H2,6,7,8)(H2,9,10,11)/t2-/m1/s1 CH$LINK: CHEBI CHEBI:17720 CH$LINK: KEGG C01159 -CH$LINK: PUBCHEM SID:4387 +CH$LINK: PUBCHEM CID:186004 CH$LINK: INCHIKEY XOHUEYCVLUUEJJ-UWTATZPHSA-N AC$INSTRUMENT: API3000, Applied Biosystems AC$INSTRUMENT_TYPE: LC-ESI-QQ diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO000563.txt b/Keio_Univ/MSBNK-Keio_Univ-KO000563.txt index 51b8ab2559e..e47f23e4632 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO000563.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO000563.txt @@ -16,7 +16,7 @@ CH$SMILES: OC(=O)[C@@H](COP(O)(O)=O)OP(O)(O)=O CH$IUPAC: InChI=1S/C3H8O10P2/c4-3(5)2(13-15(9,10)11)1-12-14(6,7)8/h2H,1H2,(H,4,5)(H2,6,7,8)(H2,9,10,11)/t2-/m1/s1 CH$LINK: CHEBI CHEBI:17720 CH$LINK: KEGG C01159 -CH$LINK: PUBCHEM SID:4387 +CH$LINK: PUBCHEM CID:186004 CH$LINK: INCHIKEY XOHUEYCVLUUEJJ-UWTATZPHSA-N AC$INSTRUMENT: API3000, Applied Biosystems AC$INSTRUMENT_TYPE: LC-ESI-QQ diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO000564.txt b/Keio_Univ/MSBNK-Keio_Univ-KO000564.txt index 80d44cf7203..db51af953f7 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO000564.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO000564.txt @@ -14,7 +14,7 @@ CH$SMILES: OC(C1)O[C@H](COP(O)(O)=O)[C@@H](O)1 CH$IUPAC: InChI=1S/C5H11O7P/c6-3-1-5(7)12-4(3)2-11-13(8,9)10/h3-7H,1-2H2,(H2,8,9,10)/t3-,4+,5?/m0/s1 CH$LINK: CHEBI CHEBI:16132 CH$LINK: KEGG C00673 -CH$LINK: PUBCHEM SID:3942 +CH$LINK: PUBCHEM CID:439288 CH$LINK: INCHIKEY KKZFLSZAWCYPOC-PYHARJCCSA-N AC$INSTRUMENT: API3000, Applied Biosystems AC$INSTRUMENT_TYPE: LC-ESI-QQ diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO000565.txt b/Keio_Univ/MSBNK-Keio_Univ-KO000565.txt index 51e095795be..768322c51b7 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO000565.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO000565.txt @@ -14,7 +14,7 @@ CH$SMILES: OC(C1)O[C@H](COP(O)(O)=O)[C@@H](O)1 CH$IUPAC: InChI=1S/C5H11O7P/c6-3-1-5(7)12-4(3)2-11-13(8,9)10/h3-7H,1-2H2,(H2,8,9,10)/t3-,4+,5?/m0/s1 CH$LINK: CHEBI CHEBI:16132 CH$LINK: KEGG C00673 -CH$LINK: PUBCHEM SID:3942 +CH$LINK: PUBCHEM CID:439288 CH$LINK: INCHIKEY KKZFLSZAWCYPOC-PYHARJCCSA-N AC$INSTRUMENT: API3000, Applied Biosystems AC$INSTRUMENT_TYPE: LC-ESI-QQ diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO000566.txt b/Keio_Univ/MSBNK-Keio_Univ-KO000566.txt index 4a41363d0bf..512006c10bd 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO000566.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO000566.txt @@ -14,7 +14,7 @@ CH$SMILES: OC(C1)O[C@H](COP(O)(O)=O)[C@@H](O)1 CH$IUPAC: InChI=1S/C5H11O7P/c6-3-1-5(7)12-4(3)2-11-13(8,9)10/h3-7H,1-2H2,(H2,8,9,10)/t3-,4+,5?/m0/s1 CH$LINK: CHEBI CHEBI:16132 CH$LINK: KEGG C00673 -CH$LINK: PUBCHEM SID:3942 +CH$LINK: PUBCHEM CID:439288 CH$LINK: INCHIKEY KKZFLSZAWCYPOC-PYHARJCCSA-N AC$INSTRUMENT: API3000, Applied Biosystems AC$INSTRUMENT_TYPE: LC-ESI-QQ diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO000567.txt b/Keio_Univ/MSBNK-Keio_Univ-KO000567.txt index 7c58ab075c3..f1e1820a80b 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO000567.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO000567.txt @@ -14,7 +14,7 @@ CH$SMILES: OC(C1)O[C@H](COP(O)(O)=O)[C@@H](O)1 CH$IUPAC: InChI=1S/C5H11O7P/c6-3-1-5(7)12-4(3)2-11-13(8,9)10/h3-7H,1-2H2,(H2,8,9,10)/t3-,4+,5?/m0/s1 CH$LINK: CHEBI CHEBI:16132 CH$LINK: KEGG C00673 -CH$LINK: PUBCHEM SID:3942 +CH$LINK: PUBCHEM CID:439288 CH$LINK: INCHIKEY KKZFLSZAWCYPOC-PYHARJCCSA-N AC$INSTRUMENT: API3000, Applied Biosystems AC$INSTRUMENT_TYPE: LC-ESI-QQ diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO000568.txt b/Keio_Univ/MSBNK-Keio_Univ-KO000568.txt index 6f59848ef76..e3a65aea671 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO000568.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO000568.txt @@ -14,7 +14,7 @@ CH$SMILES: OC(C1)O[C@H](COP(O)(O)=O)[C@@H](O)1 CH$IUPAC: InChI=1S/C5H11O7P/c6-3-1-5(7)12-4(3)2-11-13(8,9)10/h3-7H,1-2H2,(H2,8,9,10)/t3-,4+,5?/m0/s1 CH$LINK: CHEBI CHEBI:16132 CH$LINK: KEGG C00673 -CH$LINK: PUBCHEM SID:3942 +CH$LINK: PUBCHEM CID:439288 CH$LINK: INCHIKEY KKZFLSZAWCYPOC-PYHARJCCSA-N AC$INSTRUMENT: API3000, Applied Biosystems AC$INSTRUMENT_TYPE: LC-ESI-QQ diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO000569.txt b/Keio_Univ/MSBNK-Keio_Univ-KO000569.txt index cef68ce300e..6cd6704d33e 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO000569.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO000569.txt @@ -14,7 +14,7 @@ CH$IUPAC: InChI=1S/C2H2Cl2O2/c3-1(4)2(5)6/h1H,(H,5,6) CH$LINK: CAS 79-43-6 CH$LINK: KEGG C11149 CH$LINK: NIKKAJI J2.834G -CH$LINK: PUBCHEM SID:13331 +CH$LINK: PUBCHEM CID:6597 CH$LINK: INCHIKEY JXTHNDFMNIQAHM-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID2020428 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO000570.txt b/Keio_Univ/MSBNK-Keio_Univ-KO000570.txt index 225db12b9e4..72cc9e60d56 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO000570.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO000570.txt @@ -14,7 +14,7 @@ CH$IUPAC: InChI=1S/C2H2Cl2O2/c3-1(4)2(5)6/h1H,(H,5,6) CH$LINK: CAS 79-43-6 CH$LINK: KEGG C11149 CH$LINK: NIKKAJI J2.834G -CH$LINK: PUBCHEM SID:13331 +CH$LINK: PUBCHEM CID:6597 CH$LINK: INCHIKEY JXTHNDFMNIQAHM-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID2020428 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO000571.txt b/Keio_Univ/MSBNK-Keio_Univ-KO000571.txt index b153f89f702..6e230915184 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO000571.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO000571.txt @@ -14,7 +14,7 @@ CH$IUPAC: InChI=1S/C2H2Cl2O2/c3-1(4)2(5)6/h1H,(H,5,6) CH$LINK: CAS 79-43-6 CH$LINK: KEGG C11149 CH$LINK: NIKKAJI J2.834G -CH$LINK: PUBCHEM SID:13331 +CH$LINK: PUBCHEM CID:6597 CH$LINK: INCHIKEY JXTHNDFMNIQAHM-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID2020428 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO000572.txt b/Keio_Univ/MSBNK-Keio_Univ-KO000572.txt index 966696e14e6..6a08e48b8d4 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO000572.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO000572.txt @@ -14,7 +14,7 @@ CH$IUPAC: InChI=1S/C2H2Cl2O2/c3-1(4)2(5)6/h1H,(H,5,6) CH$LINK: CAS 79-43-6 CH$LINK: KEGG C11149 CH$LINK: NIKKAJI J2.834G -CH$LINK: PUBCHEM SID:13331 +CH$LINK: PUBCHEM CID:6597 CH$LINK: INCHIKEY JXTHNDFMNIQAHM-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID2020428 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO000573.txt b/Keio_Univ/MSBNK-Keio_Univ-KO000573.txt index 0087544f06e..1f803e1fa39 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO000573.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO000573.txt @@ -14,7 +14,7 @@ CH$IUPAC: InChI=1S/C2H2Cl2O2/c3-1(4)2(5)6/h1H,(H,5,6) CH$LINK: CAS 79-43-6 CH$LINK: KEGG C11149 CH$LINK: NIKKAJI J2.834G -CH$LINK: PUBCHEM SID:13331 +CH$LINK: PUBCHEM CID:6597 CH$LINK: INCHIKEY JXTHNDFMNIQAHM-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID2020428 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO000574.txt b/Keio_Univ/MSBNK-Keio_Univ-KO000574.txt index 334c2e05a19..98abc578fce 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO000574.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO000574.txt @@ -17,7 +17,7 @@ CH$LINK: CAS 490-79-9 CH$LINK: CHEBI CHEBI:17189 CH$LINK: KEGG C00628 CH$LINK: NIKKAJI J6.046A -CH$LINK: PUBCHEM SID:3901 +CH$LINK: PUBCHEM CID:3469 CH$LINK: INCHIKEY WXTMDXOMEHJXQO-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID4060078 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO000575.txt b/Keio_Univ/MSBNK-Keio_Univ-KO000575.txt index 65579258ddd..f055b72b03f 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO000575.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO000575.txt @@ -17,7 +17,7 @@ CH$LINK: CAS 490-79-9 CH$LINK: CHEBI CHEBI:17189 CH$LINK: KEGG C00628 CH$LINK: NIKKAJI J6.046A -CH$LINK: PUBCHEM SID:3901 +CH$LINK: PUBCHEM CID:3469 CH$LINK: INCHIKEY WXTMDXOMEHJXQO-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID4060078 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO000576.txt b/Keio_Univ/MSBNK-Keio_Univ-KO000576.txt index 1f392209899..b2bad9111af 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO000576.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO000576.txt @@ -17,7 +17,7 @@ CH$LINK: CAS 490-79-9 CH$LINK: CHEBI CHEBI:17189 CH$LINK: KEGG C00628 CH$LINK: NIKKAJI J6.046A -CH$LINK: PUBCHEM SID:3901 +CH$LINK: PUBCHEM CID:3469 CH$LINK: INCHIKEY WXTMDXOMEHJXQO-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID4060078 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO000577.txt b/Keio_Univ/MSBNK-Keio_Univ-KO000577.txt index 6d7141ce662..4e3017603ec 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO000577.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO000577.txt @@ -17,7 +17,7 @@ CH$LINK: CAS 490-79-9 CH$LINK: CHEBI CHEBI:17189 CH$LINK: KEGG C00628 CH$LINK: NIKKAJI J6.046A -CH$LINK: PUBCHEM SID:3901 +CH$LINK: PUBCHEM CID:3469 CH$LINK: INCHIKEY WXTMDXOMEHJXQO-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID4060078 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO000578.txt b/Keio_Univ/MSBNK-Keio_Univ-KO000578.txt index 4eef65f4b23..7dff0d7c9e9 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO000578.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO000578.txt @@ -17,7 +17,7 @@ CH$LINK: CAS 490-79-9 CH$LINK: CHEBI CHEBI:17189 CH$LINK: KEGG C00628 CH$LINK: NIKKAJI J6.046A -CH$LINK: PUBCHEM SID:3901 +CH$LINK: PUBCHEM CID:3469 CH$LINK: INCHIKEY WXTMDXOMEHJXQO-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID4060078 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO000579.txt b/Keio_Univ/MSBNK-Keio_Univ-KO000579.txt index ad2466b9214..d569636b04b 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO000579.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO000579.txt @@ -18,7 +18,7 @@ CH$LINK: CAS 51-61-6 CH$LINK: CHEBI CHEBI:18243 CH$LINK: KEGG C03758 CH$LINK: NIKKAJI J4.120C -CH$LINK: PUBCHEM SID:6517 +CH$LINK: PUBCHEM CID:681 CH$LINK: INCHIKEY VYFYYTLLBUKUHU-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID6022420 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO000580.txt b/Keio_Univ/MSBNK-Keio_Univ-KO000580.txt index 6b9eadaf8a2..0b92bfce2cd 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO000580.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO000580.txt @@ -18,7 +18,7 @@ CH$LINK: CAS 51-61-6 CH$LINK: CHEBI CHEBI:18243 CH$LINK: KEGG C03758 CH$LINK: NIKKAJI J4.120C -CH$LINK: PUBCHEM SID:6517 +CH$LINK: PUBCHEM CID:681 CH$LINK: INCHIKEY VYFYYTLLBUKUHU-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID6022420 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO000581.txt b/Keio_Univ/MSBNK-Keio_Univ-KO000581.txt index 1916bf20afd..84eea34c74a 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO000581.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO000581.txt @@ -18,7 +18,7 @@ CH$LINK: CAS 51-61-6 CH$LINK: CHEBI CHEBI:18243 CH$LINK: KEGG C03758 CH$LINK: NIKKAJI J4.120C -CH$LINK: PUBCHEM SID:6517 +CH$LINK: PUBCHEM CID:681 CH$LINK: INCHIKEY VYFYYTLLBUKUHU-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID6022420 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO000582.txt b/Keio_Univ/MSBNK-Keio_Univ-KO000582.txt index f136aca1258..029973a2281 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO000582.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO000582.txt @@ -18,7 +18,7 @@ CH$LINK: CAS 51-61-6 CH$LINK: CHEBI CHEBI:18243 CH$LINK: KEGG C03758 CH$LINK: NIKKAJI J4.120C -CH$LINK: PUBCHEM SID:6517 +CH$LINK: PUBCHEM CID:681 CH$LINK: INCHIKEY VYFYYTLLBUKUHU-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID6022420 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO000583.txt b/Keio_Univ/MSBNK-Keio_Univ-KO000583.txt index 39ac768eba4..f97b106adea 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO000583.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO000583.txt @@ -18,7 +18,7 @@ CH$LINK: CAS 51-61-6 CH$LINK: CHEBI CHEBI:18243 CH$LINK: KEGG C03758 CH$LINK: NIKKAJI J4.120C -CH$LINK: PUBCHEM SID:6517 +CH$LINK: PUBCHEM CID:681 CH$LINK: INCHIKEY VYFYYTLLBUKUHU-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID6022420 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO000584.txt b/Keio_Univ/MSBNK-Keio_Univ-KO000584.txt index 0152c742583..2c0315ef506 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO000584.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO000584.txt @@ -15,7 +15,7 @@ CH$IUPAC: InChI=1S/C9H10O4/c10-7-3-1-6(5-8(7)11)2-4-9(12)13/h1,3,5,10-11H,2,4H2, CH$LINK: CAS 1078-61-1 CH$LINK: KEGG C10447 CH$LINK: NIKKAJI J12.480J -CH$LINK: PUBCHEM SID:12630 +CH$LINK: PUBCHEM CID:348154 CH$LINK: INCHIKEY DZAUWHJDUNRCTF-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID40221919 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO000585.txt b/Keio_Univ/MSBNK-Keio_Univ-KO000585.txt index cdce26b2b4a..d3f95281e88 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO000585.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO000585.txt @@ -15,7 +15,7 @@ CH$IUPAC: InChI=1S/C9H10O4/c10-7-3-1-6(5-8(7)11)2-4-9(12)13/h1,3,5,10-11H,2,4H2, CH$LINK: CAS 1078-61-1 CH$LINK: KEGG C10447 CH$LINK: NIKKAJI J12.480J -CH$LINK: PUBCHEM SID:12630 +CH$LINK: PUBCHEM CID:348154 CH$LINK: INCHIKEY DZAUWHJDUNRCTF-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID40221919 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO000586.txt b/Keio_Univ/MSBNK-Keio_Univ-KO000586.txt index 79f8639bb2f..6e86b6bbd02 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO000586.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO000586.txt @@ -15,7 +15,7 @@ CH$IUPAC: InChI=1S/C9H10O4/c10-7-3-1-6(5-8(7)11)2-4-9(12)13/h1,3,5,10-11H,2,4H2, CH$LINK: CAS 1078-61-1 CH$LINK: KEGG C10447 CH$LINK: NIKKAJI J12.480J -CH$LINK: PUBCHEM SID:12630 +CH$LINK: PUBCHEM CID:348154 CH$LINK: INCHIKEY DZAUWHJDUNRCTF-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID40221919 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO000587.txt b/Keio_Univ/MSBNK-Keio_Univ-KO000587.txt index 3b1fea990de..82972f66f8c 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO000587.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO000587.txt @@ -15,7 +15,7 @@ CH$IUPAC: InChI=1S/C9H10O4/c10-7-3-1-6(5-8(7)11)2-4-9(12)13/h1,3,5,10-11H,2,4H2, CH$LINK: CAS 1078-61-1 CH$LINK: KEGG C10447 CH$LINK: NIKKAJI J12.480J -CH$LINK: PUBCHEM SID:12630 +CH$LINK: PUBCHEM CID:348154 CH$LINK: INCHIKEY DZAUWHJDUNRCTF-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID40221919 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO000588.txt b/Keio_Univ/MSBNK-Keio_Univ-KO000588.txt index d4d124b93d8..0bafd9be5b8 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO000588.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO000588.txt @@ -15,7 +15,7 @@ CH$IUPAC: InChI=1S/C9H10O4/c10-7-3-1-6(5-8(7)11)2-4-9(12)13/h1,3,5,10-11H,2,4H2, CH$LINK: CAS 1078-61-1 CH$LINK: KEGG C10447 CH$LINK: NIKKAJI J12.480J -CH$LINK: PUBCHEM SID:12630 +CH$LINK: PUBCHEM CID:348154 CH$LINK: INCHIKEY DZAUWHJDUNRCTF-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID40221919 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO000589.txt b/Keio_Univ/MSBNK-Keio_Univ-KO000589.txt index 8c88d79edc0..2fe1b5b8d51 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO000589.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO000589.txt @@ -15,7 +15,7 @@ CH$IUPAC: InChI=1S/C6H4Cl2N2O2/c7-4-1-3(10(11)12)2-5(8)6(4)9/h1-2H,9H2 CH$LINK: CAS 99-30-9 CH$LINK: KEGG C11000 CH$LINK: NIKKAJI J5.236A -CH$LINK: PUBCHEM SID:13183 +CH$LINK: PUBCHEM CID:7430 CH$LINK: INCHIKEY BIXZHMJUSMUDOQ-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID2020426 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO000590.txt b/Keio_Univ/MSBNK-Keio_Univ-KO000590.txt index 80a87993116..6296c643df8 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO000590.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO000590.txt @@ -15,7 +15,7 @@ CH$IUPAC: InChI=1S/C6H4Cl2N2O2/c7-4-1-3(10(11)12)2-5(8)6(4)9/h1-2H,9H2 CH$LINK: CAS 99-30-9 CH$LINK: KEGG C11000 CH$LINK: NIKKAJI J5.236A -CH$LINK: PUBCHEM SID:13183 +CH$LINK: PUBCHEM CID:7430 CH$LINK: INCHIKEY BIXZHMJUSMUDOQ-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID2020426 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO000591.txt b/Keio_Univ/MSBNK-Keio_Univ-KO000591.txt index 0f8f3269c0f..ef95b078dd5 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO000591.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO000591.txt @@ -15,7 +15,7 @@ CH$IUPAC: InChI=1S/C6H4Cl2N2O2/c7-4-1-3(10(11)12)2-5(8)6(4)9/h1-2H,9H2 CH$LINK: CAS 99-30-9 CH$LINK: KEGG C11000 CH$LINK: NIKKAJI J5.236A -CH$LINK: PUBCHEM SID:13183 +CH$LINK: PUBCHEM CID:7430 CH$LINK: INCHIKEY BIXZHMJUSMUDOQ-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID2020426 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO000592.txt b/Keio_Univ/MSBNK-Keio_Univ-KO000592.txt index 0c4039396af..6309898a6d7 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO000592.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO000592.txt @@ -15,7 +15,7 @@ CH$IUPAC: InChI=1S/C6H4Cl2N2O2/c7-4-1-3(10(11)12)2-5(8)6(4)9/h1-2H,9H2 CH$LINK: CAS 99-30-9 CH$LINK: KEGG C11000 CH$LINK: NIKKAJI J5.236A -CH$LINK: PUBCHEM SID:13183 +CH$LINK: PUBCHEM CID:7430 CH$LINK: INCHIKEY BIXZHMJUSMUDOQ-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID2020426 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO000593.txt b/Keio_Univ/MSBNK-Keio_Univ-KO000593.txt index c294fa23f71..31489ea53f5 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO000593.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO000593.txt @@ -15,7 +15,7 @@ CH$IUPAC: InChI=1S/C6H4Cl2N2O2/c7-4-1-3(10(11)12)2-5(8)6(4)9/h1-2H,9H2 CH$LINK: CAS 99-30-9 CH$LINK: KEGG C11000 CH$LINK: NIKKAJI J5.236A -CH$LINK: PUBCHEM SID:13183 +CH$LINK: PUBCHEM CID:7430 CH$LINK: INCHIKEY BIXZHMJUSMUDOQ-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID2020426 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO000594.txt b/Keio_Univ/MSBNK-Keio_Univ-KO000594.txt index 0bbd7a2f1ac..da95896421b 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO000594.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO000594.txt @@ -14,7 +14,7 @@ CH$IUPAC: InChI=1S/C12H22O4/c13-11(14)9-7-5-3-1-2-4-6-8-10-12(15)16/h1-10H2,(H,1 CH$LINK: CAS 693-23-2 CH$LINK: KEGG C02678 CH$LINK: NIKKAJI J43.533C -CH$LINK: PUBCHEM SID:5648 +CH$LINK: PUBCHEM CID:12736 CH$LINK: INCHIKEY TVIDDXQYHWJXFK-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID3027297 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO000595.txt b/Keio_Univ/MSBNK-Keio_Univ-KO000595.txt index 89726fc9e78..51f5d9da699 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO000595.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO000595.txt @@ -14,7 +14,7 @@ CH$IUPAC: InChI=1S/C12H22O4/c13-11(14)9-7-5-3-1-2-4-6-8-10-12(15)16/h1-10H2,(H,1 CH$LINK: CAS 693-23-2 CH$LINK: KEGG C02678 CH$LINK: NIKKAJI J43.533C -CH$LINK: PUBCHEM SID:5648 +CH$LINK: PUBCHEM CID:12736 CH$LINK: INCHIKEY TVIDDXQYHWJXFK-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID3027297 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO000596.txt b/Keio_Univ/MSBNK-Keio_Univ-KO000596.txt index 35be71fe27f..045b7ae9821 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO000596.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO000596.txt @@ -14,7 +14,7 @@ CH$IUPAC: InChI=1S/C12H22O4/c13-11(14)9-7-5-3-1-2-4-6-8-10-12(15)16/h1-10H2,(H,1 CH$LINK: CAS 693-23-2 CH$LINK: KEGG C02678 CH$LINK: NIKKAJI J43.533C -CH$LINK: PUBCHEM SID:5648 +CH$LINK: PUBCHEM CID:12736 CH$LINK: INCHIKEY TVIDDXQYHWJXFK-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID3027297 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO000597.txt b/Keio_Univ/MSBNK-Keio_Univ-KO000597.txt index aca3521f9e7..740d5aa70bd 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO000597.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO000597.txt @@ -14,7 +14,7 @@ CH$IUPAC: InChI=1S/C12H22O4/c13-11(14)9-7-5-3-1-2-4-6-8-10-12(15)16/h1-10H2,(H,1 CH$LINK: CAS 693-23-2 CH$LINK: KEGG C02678 CH$LINK: NIKKAJI J43.533C -CH$LINK: PUBCHEM SID:5648 +CH$LINK: PUBCHEM CID:12736 CH$LINK: INCHIKEY TVIDDXQYHWJXFK-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID3027297 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO000598.txt b/Keio_Univ/MSBNK-Keio_Univ-KO000598.txt index 8e9a029ac18..a1a505ef83f 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO000598.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO000598.txt @@ -14,7 +14,7 @@ CH$IUPAC: InChI=1S/C12H22O4/c13-11(14)9-7-5-3-1-2-4-6-8-10-12(15)16/h1-10H2,(H,1 CH$LINK: CAS 693-23-2 CH$LINK: KEGG C02678 CH$LINK: NIKKAJI J43.533C -CH$LINK: PUBCHEM SID:5648 +CH$LINK: PUBCHEM CID:12736 CH$LINK: INCHIKEY TVIDDXQYHWJXFK-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID3027297 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO000599.txt b/Keio_Univ/MSBNK-Keio_Univ-KO000599.txt index 13fbfe7fdea..2991af75073 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO000599.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO000599.txt @@ -14,7 +14,7 @@ CH$IUPAC: InChI=1S/C7H4N2O7/c10-6-4(7(11)12)1-3(8(13)14)2-5(6)9(15)16/h1-2,10H,( CH$LINK: CAS 609-99-4 CH$LINK: KEGG C11319 CH$LINK: NIKKAJI J208.324H -CH$LINK: PUBCHEM SID:13494 +CH$LINK: PUBCHEM CID:11873 CH$LINK: INCHIKEY LWFUFLREGJMOIZ-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID9060576 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO000600.txt b/Keio_Univ/MSBNK-Keio_Univ-KO000600.txt index 517d7b9efc1..2cf4603fa85 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO000600.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO000600.txt @@ -14,7 +14,7 @@ CH$IUPAC: InChI=1S/C7H4N2O7/c10-6-4(7(11)12)1-3(8(13)14)2-5(6)9(15)16/h1-2,10H,( CH$LINK: CAS 609-99-4 CH$LINK: KEGG C11319 CH$LINK: NIKKAJI J208.324H -CH$LINK: PUBCHEM SID:13494 +CH$LINK: PUBCHEM CID:11873 CH$LINK: INCHIKEY LWFUFLREGJMOIZ-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID9060576 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO000601.txt b/Keio_Univ/MSBNK-Keio_Univ-KO000601.txt index d0c2391ca02..ba7c9386d11 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO000601.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO000601.txt @@ -14,7 +14,7 @@ CH$IUPAC: InChI=1S/C7H4N2O7/c10-6-4(7(11)12)1-3(8(13)14)2-5(6)9(15)16/h1-2,10H,( CH$LINK: CAS 609-99-4 CH$LINK: KEGG C11319 CH$LINK: NIKKAJI J208.324H -CH$LINK: PUBCHEM SID:13494 +CH$LINK: PUBCHEM CID:11873 CH$LINK: INCHIKEY LWFUFLREGJMOIZ-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID9060576 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO000602.txt b/Keio_Univ/MSBNK-Keio_Univ-KO000602.txt index 1552b3bf88f..f4a0f3f73ae 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO000602.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO000602.txt @@ -14,7 +14,7 @@ CH$IUPAC: InChI=1S/C7H4N2O7/c10-6-4(7(11)12)1-3(8(13)14)2-5(6)9(15)16/h1-2,10H,( CH$LINK: CAS 609-99-4 CH$LINK: KEGG C11319 CH$LINK: NIKKAJI J208.324H -CH$LINK: PUBCHEM SID:13494 +CH$LINK: PUBCHEM CID:11873 CH$LINK: INCHIKEY LWFUFLREGJMOIZ-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID9060576 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO000603.txt b/Keio_Univ/MSBNK-Keio_Univ-KO000603.txt index 95166e3d30c..76f9be9c6bc 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO000603.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO000603.txt @@ -14,7 +14,7 @@ CH$IUPAC: InChI=1S/C7H4N2O7/c10-6-4(7(11)12)1-3(8(13)14)2-5(6)9(15)16/h1-2,10H,( CH$LINK: CAS 609-99-4 CH$LINK: KEGG C11319 CH$LINK: NIKKAJI J208.324H -CH$LINK: PUBCHEM SID:13494 +CH$LINK: PUBCHEM CID:11873 CH$LINK: INCHIKEY LWFUFLREGJMOIZ-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID9060576 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO000604.txt b/Keio_Univ/MSBNK-Keio_Univ-KO000604.txt index 6e57e018511..4991b602a85 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO000604.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO000604.txt @@ -13,7 +13,7 @@ CH$IUPAC: InChI=1S/C8H7ClN2O2S/c1-5-10-7-3-2-6(9)4-8(7)14(12,13)11-5/h2-4H,1H3,( CH$LINK: CAS 364-98-7 CH$LINK: KEGG C06949 CH$LINK: NIKKAJI J5.703G -CH$LINK: PUBCHEM SID:9164 +CH$LINK: PUBCHEM CID:3019 CH$LINK: INCHIKEY GDLBFKVLRPITMI-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID7022914 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO000605.txt b/Keio_Univ/MSBNK-Keio_Univ-KO000605.txt index 8990b698661..ae2277b6a2a 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO000605.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO000605.txt @@ -13,7 +13,7 @@ CH$IUPAC: InChI=1S/C8H7ClN2O2S/c1-5-10-7-3-2-6(9)4-8(7)14(12,13)11-5/h2-4H,1H3,( CH$LINK: CAS 364-98-7 CH$LINK: KEGG C06949 CH$LINK: NIKKAJI J5.703G -CH$LINK: PUBCHEM SID:9164 +CH$LINK: PUBCHEM CID:3019 CH$LINK: INCHIKEY GDLBFKVLRPITMI-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID7022914 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO000606.txt b/Keio_Univ/MSBNK-Keio_Univ-KO000606.txt index 0072a8e1da7..2ee1e227dd5 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO000606.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO000606.txt @@ -13,7 +13,7 @@ CH$IUPAC: InChI=1S/C8H7ClN2O2S/c1-5-10-7-3-2-6(9)4-8(7)14(12,13)11-5/h2-4H,1H3,( CH$LINK: CAS 364-98-7 CH$LINK: KEGG C06949 CH$LINK: NIKKAJI J5.703G -CH$LINK: PUBCHEM SID:9164 +CH$LINK: PUBCHEM CID:3019 CH$LINK: INCHIKEY GDLBFKVLRPITMI-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID7022914 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO000607.txt b/Keio_Univ/MSBNK-Keio_Univ-KO000607.txt index e9172a97540..781f87b3a49 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO000607.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO000607.txt @@ -13,7 +13,7 @@ CH$IUPAC: InChI=1S/C8H7ClN2O2S/c1-5-10-7-3-2-6(9)4-8(7)14(12,13)11-5/h2-4H,1H3,( CH$LINK: CAS 364-98-7 CH$LINK: KEGG C06949 CH$LINK: NIKKAJI J5.703G -CH$LINK: PUBCHEM SID:9164 +CH$LINK: PUBCHEM CID:3019 CH$LINK: INCHIKEY GDLBFKVLRPITMI-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID7022914 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO000608.txt b/Keio_Univ/MSBNK-Keio_Univ-KO000608.txt index bf4f27f6884..97e2c24ba41 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO000608.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO000608.txt @@ -13,7 +13,7 @@ CH$IUPAC: InChI=1S/C8H7ClN2O2S/c1-5-10-7-3-2-6(9)4-8(7)14(12,13)11-5/h2-4H,1H3,( CH$LINK: CAS 364-98-7 CH$LINK: KEGG C06949 CH$LINK: NIKKAJI J5.703G -CH$LINK: PUBCHEM SID:9164 +CH$LINK: PUBCHEM CID:3019 CH$LINK: INCHIKEY GDLBFKVLRPITMI-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID7022914 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO000609.txt b/Keio_Univ/MSBNK-Keio_Univ-KO000609.txt index 14ace9588af..2f0a4b1eb3b 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO000609.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO000609.txt @@ -16,7 +16,7 @@ CH$LINK: CHEBI CHEBI:15698 CH$LINK: CHEMPDB DCZ CH$LINK: KEGG C00881 CH$LINK: NIKKAJI J14.406A -CH$LINK: PUBCHEM SID:4137 +CH$LINK: PUBCHEM CID:13711 CH$LINK: INCHIKEY CKTSBUTUHBMZGZ-SHYZEUOFSA-N CH$LINK: COMPTOX DTXSID70883620 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO000610.txt b/Keio_Univ/MSBNK-Keio_Univ-KO000610.txt index 6c16a0f4087..584fdf7b25f 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO000610.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO000610.txt @@ -16,7 +16,7 @@ CH$LINK: CHEBI CHEBI:15698 CH$LINK: CHEMPDB DCZ CH$LINK: KEGG C00881 CH$LINK: NIKKAJI J14.406A -CH$LINK: PUBCHEM SID:4137 +CH$LINK: PUBCHEM CID:13711 CH$LINK: INCHIKEY CKTSBUTUHBMZGZ-SHYZEUOFSA-N CH$LINK: COMPTOX DTXSID70883620 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO000611.txt b/Keio_Univ/MSBNK-Keio_Univ-KO000611.txt index 8e8696bae8a..bfadff3d158 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO000611.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO000611.txt @@ -16,7 +16,7 @@ CH$LINK: CHEBI CHEBI:15698 CH$LINK: CHEMPDB DCZ CH$LINK: KEGG C00881 CH$LINK: NIKKAJI J14.406A -CH$LINK: PUBCHEM SID:4137 +CH$LINK: PUBCHEM CID:13711 CH$LINK: INCHIKEY CKTSBUTUHBMZGZ-SHYZEUOFSA-N CH$LINK: COMPTOX DTXSID70883620 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO000612.txt b/Keio_Univ/MSBNK-Keio_Univ-KO000612.txt index 099ce9519b9..1b2872c77cf 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO000612.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO000612.txt @@ -16,7 +16,7 @@ CH$LINK: CHEBI CHEBI:15698 CH$LINK: CHEMPDB DCZ CH$LINK: KEGG C00881 CH$LINK: NIKKAJI J14.406A -CH$LINK: PUBCHEM SID:4137 +CH$LINK: PUBCHEM CID:13711 CH$LINK: INCHIKEY CKTSBUTUHBMZGZ-SHYZEUOFSA-N CH$LINK: COMPTOX DTXSID70883620 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO000613.txt b/Keio_Univ/MSBNK-Keio_Univ-KO000613.txt index 379165e4c82..943d5cf3b81 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO000613.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO000613.txt @@ -16,7 +16,7 @@ CH$LINK: CHEBI CHEBI:15698 CH$LINK: CHEMPDB DCZ CH$LINK: KEGG C00881 CH$LINK: NIKKAJI J14.406A -CH$LINK: PUBCHEM SID:4137 +CH$LINK: PUBCHEM CID:13711 CH$LINK: INCHIKEY CKTSBUTUHBMZGZ-SHYZEUOFSA-N CH$LINK: COMPTOX DTXSID70883620 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO000614.txt b/Keio_Univ/MSBNK-Keio_Univ-KO000614.txt index f0539a05864..27aecd57304 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO000614.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO000614.txt @@ -13,11 +13,11 @@ CH$FORMULA: C9H9I2NO3 CH$EXACT_MASS: 432.86718 CH$SMILES: OC(=O)[C@@H](N)Cc(c1)cc(I)c(O)c(I)1 CH$IUPAC: InChI=1S/C9H9I2NO3/c10-5-1-4(2-6(11)8(5)13)3-7(12)9(14)15/h1-2,7,13H,3,12H2,(H,14,15)/t7-/m0/s1 -CH$LINK: CAS 300-39-0 66-02-4 +CH$LINK: CAS 300-39-0 CH$LINK: CHEBI CHEBI:15768 CH$LINK: CHEMPDB TYI CH$LINK: KEGG C01060 -CH$LINK: PUBCHEM SID:4299 +CH$LINK: PUBCHEM CID:9305 CH$LINK: INCHIKEY NYPYHUZRZVSYKL-ZETCQYMHSA-N CH$LINK: COMPTOX DTXSID0048680 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO000615.txt b/Keio_Univ/MSBNK-Keio_Univ-KO000615.txt index 01168b830fb..e0c17ef64f1 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO000615.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO000615.txt @@ -13,11 +13,11 @@ CH$FORMULA: C9H9I2NO3 CH$EXACT_MASS: 432.86718 CH$SMILES: OC(=O)[C@@H](N)Cc(c1)cc(I)c(O)c(I)1 CH$IUPAC: InChI=1S/C9H9I2NO3/c10-5-1-4(2-6(11)8(5)13)3-7(12)9(14)15/h1-2,7,13H,3,12H2,(H,14,15)/t7-/m0/s1 -CH$LINK: CAS 300-39-0 66-02-4 +CH$LINK: CAS 300-39-0 CH$LINK: CHEBI CHEBI:15768 CH$LINK: CHEMPDB TYI CH$LINK: KEGG C01060 -CH$LINK: PUBCHEM SID:4299 +CH$LINK: PUBCHEM CID:9305 CH$LINK: INCHIKEY NYPYHUZRZVSYKL-ZETCQYMHSA-N CH$LINK: COMPTOX DTXSID0048680 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO000616.txt b/Keio_Univ/MSBNK-Keio_Univ-KO000616.txt index d1b12701f18..621f9579d1b 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO000616.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO000616.txt @@ -13,11 +13,11 @@ CH$FORMULA: C9H9I2NO3 CH$EXACT_MASS: 432.86718 CH$SMILES: OC(=O)[C@@H](N)Cc(c1)cc(I)c(O)c(I)1 CH$IUPAC: InChI=1S/C9H9I2NO3/c10-5-1-4(2-6(11)8(5)13)3-7(12)9(14)15/h1-2,7,13H,3,12H2,(H,14,15)/t7-/m0/s1 -CH$LINK: CAS 300-39-0 66-02-4 +CH$LINK: CAS 300-39-0 CH$LINK: CHEBI CHEBI:15768 CH$LINK: CHEMPDB TYI CH$LINK: KEGG C01060 -CH$LINK: PUBCHEM SID:4299 +CH$LINK: PUBCHEM CID:9305 CH$LINK: INCHIKEY NYPYHUZRZVSYKL-ZETCQYMHSA-N CH$LINK: COMPTOX DTXSID0048680 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO000617.txt b/Keio_Univ/MSBNK-Keio_Univ-KO000617.txt index b144f22ed5a..208144d7534 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO000617.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO000617.txt @@ -13,11 +13,11 @@ CH$FORMULA: C9H9I2NO3 CH$EXACT_MASS: 432.86718 CH$SMILES: OC(=O)[C@@H](N)Cc(c1)cc(I)c(O)c(I)1 CH$IUPAC: InChI=1S/C9H9I2NO3/c10-5-1-4(2-6(11)8(5)13)3-7(12)9(14)15/h1-2,7,13H,3,12H2,(H,14,15)/t7-/m0/s1 -CH$LINK: CAS 300-39-0 66-02-4 +CH$LINK: CAS 300-39-0 CH$LINK: CHEBI CHEBI:15768 CH$LINK: CHEMPDB TYI CH$LINK: KEGG C01060 -CH$LINK: PUBCHEM SID:4299 +CH$LINK: PUBCHEM CID:9305 CH$LINK: INCHIKEY NYPYHUZRZVSYKL-ZETCQYMHSA-N CH$LINK: COMPTOX DTXSID0048680 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO000618.txt b/Keio_Univ/MSBNK-Keio_Univ-KO000618.txt index 203dbfab083..6a5c4a7848e 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO000618.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO000618.txt @@ -13,11 +13,11 @@ CH$FORMULA: C9H9I2NO3 CH$EXACT_MASS: 432.86718 CH$SMILES: OC(=O)[C@@H](N)Cc(c1)cc(I)c(O)c(I)1 CH$IUPAC: InChI=1S/C9H9I2NO3/c10-5-1-4(2-6(11)8(5)13)3-7(12)9(14)15/h1-2,7,13H,3,12H2,(H,14,15)/t7-/m0/s1 -CH$LINK: CAS 300-39-0 66-02-4 +CH$LINK: CAS 300-39-0 CH$LINK: CHEBI CHEBI:15768 CH$LINK: CHEMPDB TYI CH$LINK: KEGG C01060 -CH$LINK: PUBCHEM SID:4299 +CH$LINK: PUBCHEM CID:9305 CH$LINK: INCHIKEY NYPYHUZRZVSYKL-ZETCQYMHSA-N CH$LINK: COMPTOX DTXSID0048680 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO000619.txt b/Keio_Univ/MSBNK-Keio_Univ-KO000619.txt index bc9e3970c52..ed4ba882491 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO000619.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO000619.txt @@ -15,7 +15,7 @@ CH$LINK: CAS 961-07-9 CH$LINK: CHEBI CHEBI:17172 CH$LINK: KEGG C00330 CH$LINK: NIKKAJI J13.863K -CH$LINK: PUBCHEM SID:3624 +CH$LINK: PUBCHEM CID:135398592 CH$LINK: INCHIKEY YKBGVTZYEHREMT-KVQBGUIXSA-N CH$LINK: COMPTOX DTXSID30883626 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO000620.txt b/Keio_Univ/MSBNK-Keio_Univ-KO000620.txt index 52fccfb5ebb..af5b53c2c82 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO000620.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO000620.txt @@ -15,7 +15,7 @@ CH$LINK: CAS 961-07-9 CH$LINK: CHEBI CHEBI:17172 CH$LINK: KEGG C00330 CH$LINK: NIKKAJI J13.863K -CH$LINK: PUBCHEM SID:3624 +CH$LINK: PUBCHEM CID:135398592 CH$LINK: INCHIKEY YKBGVTZYEHREMT-KVQBGUIXSA-N CH$LINK: COMPTOX DTXSID30883626 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO000621.txt b/Keio_Univ/MSBNK-Keio_Univ-KO000621.txt index adad0e1d3a9..c28546fdd45 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO000621.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO000621.txt @@ -15,7 +15,7 @@ CH$LINK: CAS 961-07-9 CH$LINK: CHEBI CHEBI:17172 CH$LINK: KEGG C00330 CH$LINK: NIKKAJI J13.863K -CH$LINK: PUBCHEM SID:3624 +CH$LINK: PUBCHEM CID:135398592 CH$LINK: INCHIKEY YKBGVTZYEHREMT-KVQBGUIXSA-N CH$LINK: COMPTOX DTXSID30883626 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO000622.txt b/Keio_Univ/MSBNK-Keio_Univ-KO000622.txt index d6494f2c4c0..9e941ea20d5 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO000622.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO000622.txt @@ -15,7 +15,7 @@ CH$LINK: CAS 961-07-9 CH$LINK: CHEBI CHEBI:17172 CH$LINK: KEGG C00330 CH$LINK: NIKKAJI J13.863K -CH$LINK: PUBCHEM SID:3624 +CH$LINK: PUBCHEM CID:135398592 CH$LINK: INCHIKEY YKBGVTZYEHREMT-KVQBGUIXSA-N CH$LINK: COMPTOX DTXSID30883626 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO000623.txt b/Keio_Univ/MSBNK-Keio_Univ-KO000623.txt index 6cbe826bbd8..c62160faefd 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO000623.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO000623.txt @@ -15,7 +15,7 @@ CH$LINK: CAS 961-07-9 CH$LINK: CHEBI CHEBI:17172 CH$LINK: KEGG C00330 CH$LINK: NIKKAJI J13.863K -CH$LINK: PUBCHEM SID:3624 +CH$LINK: PUBCHEM CID:135398592 CH$LINK: INCHIKEY YKBGVTZYEHREMT-KVQBGUIXSA-N CH$LINK: COMPTOX DTXSID30883626 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO000624.txt b/Keio_Univ/MSBNK-Keio_Univ-KO000624.txt index ba7198ec004..3a0659fd524 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO000624.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO000624.txt @@ -13,7 +13,7 @@ CH$IUPAC: InChI=1S/C13H8F2O3/c14-8-2-3-9(11(15)6-8)7-1-4-12(16)10(5-7)13(17)18/h CH$LINK: CAS 22494-42-4 CH$LINK: KEGG C01691 CH$LINK: NIKKAJI J3.155K -CH$LINK: PUBCHEM SID:4832 +CH$LINK: PUBCHEM CID:3059 CH$LINK: INCHIKEY HUPFGZXOMWLGNK-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID5022932 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO000625.txt b/Keio_Univ/MSBNK-Keio_Univ-KO000625.txt index acd506b685b..ce363d476a8 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO000625.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO000625.txt @@ -13,7 +13,7 @@ CH$IUPAC: InChI=1S/C13H8F2O3/c14-8-2-3-9(11(15)6-8)7-1-4-12(16)10(5-7)13(17)18/h CH$LINK: CAS 22494-42-4 CH$LINK: KEGG C01691 CH$LINK: NIKKAJI J3.155K -CH$LINK: PUBCHEM SID:4832 +CH$LINK: PUBCHEM CID:3059 CH$LINK: INCHIKEY HUPFGZXOMWLGNK-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID5022932 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO000626.txt b/Keio_Univ/MSBNK-Keio_Univ-KO000626.txt index ae0e6b11579..19db5c98a95 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO000626.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO000626.txt @@ -13,7 +13,7 @@ CH$IUPAC: InChI=1S/C13H8F2O3/c14-8-2-3-9(11(15)6-8)7-1-4-12(16)10(5-7)13(17)18/h CH$LINK: CAS 22494-42-4 CH$LINK: KEGG C01691 CH$LINK: NIKKAJI J3.155K -CH$LINK: PUBCHEM SID:4832 +CH$LINK: PUBCHEM CID:3059 CH$LINK: INCHIKEY HUPFGZXOMWLGNK-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID5022932 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO000627.txt b/Keio_Univ/MSBNK-Keio_Univ-KO000627.txt index d3c669c1d02..4c7910ab76c 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO000627.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO000627.txt @@ -13,7 +13,7 @@ CH$IUPAC: InChI=1S/C13H8F2O3/c14-8-2-3-9(11(15)6-8)7-1-4-12(16)10(5-7)13(17)18/h CH$LINK: CAS 22494-42-4 CH$LINK: KEGG C01691 CH$LINK: NIKKAJI J3.155K -CH$LINK: PUBCHEM SID:4832 +CH$LINK: PUBCHEM CID:3059 CH$LINK: INCHIKEY HUPFGZXOMWLGNK-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID5022932 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO000628.txt b/Keio_Univ/MSBNK-Keio_Univ-KO000628.txt index cbd304275af..42daf496dd4 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO000628.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO000628.txt @@ -13,7 +13,7 @@ CH$IUPAC: InChI=1S/C13H8F2O3/c14-8-2-3-9(11(15)6-8)7-1-4-12(16)10(5-7)13(17)18/h CH$LINK: CAS 22494-42-4 CH$LINK: KEGG C01691 CH$LINK: NIKKAJI J3.155K -CH$LINK: PUBCHEM SID:4832 +CH$LINK: PUBCHEM CID:3059 CH$LINK: INCHIKEY HUPFGZXOMWLGNK-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID5022932 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO000629.txt b/Keio_Univ/MSBNK-Keio_Univ-KO000629.txt index d5ecd907426..38d5f689cd8 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO000629.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO000629.txt @@ -18,7 +18,7 @@ CH$LINK: CHEBI CHEBI:30813 CH$LINK: CHEMPDB DKA CH$LINK: KEGG C01571 CH$LINK: NIKKAJI J2.575E -CH$LINK: PUBCHEM SID:4728 +CH$LINK: PUBCHEM CID:2969 CH$LINK: INCHIKEY GHVNFZFCNZKVNT-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID9021554 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO000630.txt b/Keio_Univ/MSBNK-Keio_Univ-KO000630.txt index e6512175eee..046f49b41ff 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO000630.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO000630.txt @@ -18,7 +18,7 @@ CH$LINK: CHEBI CHEBI:30813 CH$LINK: CHEMPDB DKA CH$LINK: KEGG C01571 CH$LINK: NIKKAJI J2.575E -CH$LINK: PUBCHEM SID:4728 +CH$LINK: PUBCHEM CID:2969 CH$LINK: INCHIKEY GHVNFZFCNZKVNT-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID9021554 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO000631.txt b/Keio_Univ/MSBNK-Keio_Univ-KO000631.txt index bddd956c5e6..ffa02e13df7 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO000631.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO000631.txt @@ -18,7 +18,7 @@ CH$LINK: CHEBI CHEBI:30813 CH$LINK: CHEMPDB DKA CH$LINK: KEGG C01571 CH$LINK: NIKKAJI J2.575E -CH$LINK: PUBCHEM SID:4728 +CH$LINK: PUBCHEM CID:2969 CH$LINK: INCHIKEY GHVNFZFCNZKVNT-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID9021554 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO000632.txt b/Keio_Univ/MSBNK-Keio_Univ-KO000632.txt index 3798c3e7afb..2cd82e47546 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO000632.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO000632.txt @@ -18,7 +18,7 @@ CH$LINK: CHEBI CHEBI:30813 CH$LINK: CHEMPDB DKA CH$LINK: KEGG C01571 CH$LINK: NIKKAJI J2.575E -CH$LINK: PUBCHEM SID:4728 +CH$LINK: PUBCHEM CID:2969 CH$LINK: INCHIKEY GHVNFZFCNZKVNT-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID9021554 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO000633.txt b/Keio_Univ/MSBNK-Keio_Univ-KO000633.txt index 87498603dad..e5c4d0408db 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO000633.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO000633.txt @@ -18,7 +18,7 @@ CH$LINK: CHEBI CHEBI:30813 CH$LINK: CHEMPDB DKA CH$LINK: KEGG C01571 CH$LINK: NIKKAJI J2.575E -CH$LINK: PUBCHEM SID:4728 +CH$LINK: PUBCHEM CID:2969 CH$LINK: INCHIKEY GHVNFZFCNZKVNT-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID9021554 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO000644.txt b/Keio_Univ/MSBNK-Keio_Univ-KO000644.txt index 4294ba829a1..81466af27b9 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO000644.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO000644.txt @@ -13,7 +13,7 @@ CH$IUPAC: InChI=1S/C6H4N2O5/c9-6-2-1-4(7(10)11)3-5(6)8(12)13/h1-3,9H CH$LINK: CAS 51-28-5 CH$LINK: KEGG C02496 CH$LINK: NIKKAJI J1.909G -CH$LINK: PUBCHEM SID:5508 +CH$LINK: PUBCHEM CID:1493 CH$LINK: INCHIKEY UFBJCMHMOXMLKC-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID0020523 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO000645.txt b/Keio_Univ/MSBNK-Keio_Univ-KO000645.txt index cd1460ae1cf..3ab585ef3a9 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO000645.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO000645.txt @@ -13,7 +13,7 @@ CH$IUPAC: InChI=1S/C6H4N2O5/c9-6-2-1-4(7(10)11)3-5(6)8(12)13/h1-3,9H CH$LINK: CAS 51-28-5 CH$LINK: KEGG C02496 CH$LINK: NIKKAJI J1.909G -CH$LINK: PUBCHEM SID:5508 +CH$LINK: PUBCHEM CID:1493 CH$LINK: INCHIKEY UFBJCMHMOXMLKC-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID0020523 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO000646.txt b/Keio_Univ/MSBNK-Keio_Univ-KO000646.txt index 0f66787ad8a..ba39475023d 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO000646.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO000646.txt @@ -13,7 +13,7 @@ CH$IUPAC: InChI=1S/C6H4N2O5/c9-6-2-1-4(7(10)11)3-5(6)8(12)13/h1-3,9H CH$LINK: CAS 51-28-5 CH$LINK: KEGG C02496 CH$LINK: NIKKAJI J1.909G -CH$LINK: PUBCHEM SID:5508 +CH$LINK: PUBCHEM CID:1493 CH$LINK: INCHIKEY UFBJCMHMOXMLKC-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID0020523 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO000647.txt b/Keio_Univ/MSBNK-Keio_Univ-KO000647.txt index 79fc36e6020..348ab8e181a 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO000647.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO000647.txt @@ -13,7 +13,7 @@ CH$IUPAC: InChI=1S/C6H4N2O5/c9-6-2-1-4(7(10)11)3-5(6)8(12)13/h1-3,9H CH$LINK: CAS 51-28-5 CH$LINK: KEGG C02496 CH$LINK: NIKKAJI J1.909G -CH$LINK: PUBCHEM SID:5508 +CH$LINK: PUBCHEM CID:1493 CH$LINK: INCHIKEY UFBJCMHMOXMLKC-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID0020523 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO000648.txt b/Keio_Univ/MSBNK-Keio_Univ-KO000648.txt index 8b468d77ae3..d2c21acbb2a 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO000648.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO000648.txt @@ -13,7 +13,7 @@ CH$IUPAC: InChI=1S/C6H4N2O5/c9-6-2-1-4(7(10)11)3-5(6)8(12)13/h1-3,9H CH$LINK: CAS 51-28-5 CH$LINK: KEGG C02496 CH$LINK: NIKKAJI J1.909G -CH$LINK: PUBCHEM SID:5508 +CH$LINK: PUBCHEM CID:1493 CH$LINK: INCHIKEY UFBJCMHMOXMLKC-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID0020523 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO000649.txt b/Keio_Univ/MSBNK-Keio_Univ-KO000649.txt index 87ffda7c123..50c3fffa8ac 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO000649.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO000649.txt @@ -13,7 +13,7 @@ CH$SMILES: OC(=O)C(O1)C(O)C(O)C(O)C1OC(C(O)2)C(C(O)=O)OC(O)C(O)2 CH$IUPAC: InChI=1S/C12H18O13/c13-1-2(14)7(9(18)19)25-12(5(1)17)24-6-3(15)4(16)11(22)23-8(6)10(20)21/h1-8,11-17,22H,(H,18,19)(H,20,21)/t1-,2+,3+,4+,5+,6+,7-,8-,11?,12-/m0/s1 CH$LINK: CAS 5894-59-7 CH$LINK: KEGG C02273 -CH$LINK: PUBCHEM SID:5333 +CH$LINK: PUBCHEM CID:439694 CH$LINK: INCHIKEY IGSYEZFZPOZFNC-LKIWRGPLSA-N CH$LINK: COMPTOX DTXSID10974440 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO000650.txt b/Keio_Univ/MSBNK-Keio_Univ-KO000650.txt index d97882882ab..a17becfcd87 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO000650.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO000650.txt @@ -13,7 +13,7 @@ CH$SMILES: OC(=O)C(O1)C(O)C(O)C(O)C1OC(C(O)2)C(C(O)=O)OC(O)C(O)2 CH$IUPAC: InChI=1S/C12H18O13/c13-1-2(14)7(9(18)19)25-12(5(1)17)24-6-3(15)4(16)11(22)23-8(6)10(20)21/h1-8,11-17,22H,(H,18,19)(H,20,21)/t1-,2+,3+,4+,5+,6+,7-,8-,11?,12-/m0/s1 CH$LINK: CAS 5894-59-7 CH$LINK: KEGG C02273 -CH$LINK: PUBCHEM SID:5333 +CH$LINK: PUBCHEM CID:439694 CH$LINK: INCHIKEY IGSYEZFZPOZFNC-LKIWRGPLSA-N CH$LINK: COMPTOX DTXSID10974440 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO000651.txt b/Keio_Univ/MSBNK-Keio_Univ-KO000651.txt index 3a117c17f67..31735952915 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO000651.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO000651.txt @@ -13,7 +13,7 @@ CH$SMILES: OC(=O)C(O1)C(O)C(O)C(O)C1OC(C(O)2)C(C(O)=O)OC(O)C(O)2 CH$IUPAC: InChI=1S/C12H18O13/c13-1-2(14)7(9(18)19)25-12(5(1)17)24-6-3(15)4(16)11(22)23-8(6)10(20)21/h1-8,11-17,22H,(H,18,19)(H,20,21)/t1-,2+,3+,4+,5+,6+,7-,8-,11?,12-/m0/s1 CH$LINK: CAS 5894-59-7 CH$LINK: KEGG C02273 -CH$LINK: PUBCHEM SID:5333 +CH$LINK: PUBCHEM CID:439694 CH$LINK: INCHIKEY IGSYEZFZPOZFNC-LKIWRGPLSA-N CH$LINK: COMPTOX DTXSID10974440 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO000652.txt b/Keio_Univ/MSBNK-Keio_Univ-KO000652.txt index 97ed23acbe8..8530f78c223 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO000652.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO000652.txt @@ -13,7 +13,7 @@ CH$SMILES: OC(=O)C(O1)C(O)C(O)C(O)C1OC(C(O)2)C(C(O)=O)OC(O)C(O)2 CH$IUPAC: InChI=1S/C12H18O13/c13-1-2(14)7(9(18)19)25-12(5(1)17)24-6-3(15)4(16)11(22)23-8(6)10(20)21/h1-8,11-17,22H,(H,18,19)(H,20,21)/t1-,2+,3+,4+,5+,6+,7-,8-,11?,12-/m0/s1 CH$LINK: CAS 5894-59-7 CH$LINK: KEGG C02273 -CH$LINK: PUBCHEM SID:5333 +CH$LINK: PUBCHEM CID:439694 CH$LINK: INCHIKEY IGSYEZFZPOZFNC-LKIWRGPLSA-N CH$LINK: COMPTOX DTXSID10974440 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO000653.txt b/Keio_Univ/MSBNK-Keio_Univ-KO000653.txt index 5dce5a35bea..17dee33b7df 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO000653.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO000653.txt @@ -13,7 +13,7 @@ CH$SMILES: OC(=O)C(O1)C(O)C(O)C(O)C1OC(C(O)2)C(C(O)=O)OC(O)C(O)2 CH$IUPAC: InChI=1S/C12H18O13/c13-1-2(14)7(9(18)19)25-12(5(1)17)24-6-3(15)4(16)11(22)23-8(6)10(20)21/h1-8,11-17,22H,(H,18,19)(H,20,21)/t1-,2+,3+,4+,5+,6+,7-,8-,11?,12-/m0/s1 CH$LINK: CAS 5894-59-7 CH$LINK: KEGG C02273 -CH$LINK: PUBCHEM SID:5333 +CH$LINK: PUBCHEM CID:439694 CH$LINK: INCHIKEY IGSYEZFZPOZFNC-LKIWRGPLSA-N CH$LINK: COMPTOX DTXSID10974440 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO000654.txt b/Keio_Univ/MSBNK-Keio_Univ-KO000654.txt index 6f9923c2266..7f0b447d1db 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO000654.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO000654.txt @@ -13,7 +13,7 @@ CH$SMILES: OC(C1)O[C@H](COP(O)(O)=O)[C@@H](O)[C@H](O)1 CH$IUPAC: InChI=1S/C6H13O8P/c7-3-1-5(8)14-4(6(3)9)2-13-15(10,11)12/h3-9H,1-2H2,(H2,10,11,12)/t3-,4-,5?,6+/m1/s1 CH$LINK: CHEBI CHEBI:16043 CH$LINK: KEGG C06369 -CH$LINK: PUBCHEM SID:8605 +CH$LINK: PUBCHEM CID:440992 CH$LINK: INCHIKEY UQJFZAAGZAYVKZ-CERMHHMHSA-N AC$INSTRUMENT: API3000, Applied Biosystems AC$INSTRUMENT_TYPE: LC-ESI-QQ diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO000655.txt b/Keio_Univ/MSBNK-Keio_Univ-KO000655.txt index b6d0d1500f0..fb93c6ed1cb 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO000655.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO000655.txt @@ -13,7 +13,7 @@ CH$SMILES: OC(C1)O[C@H](COP(O)(O)=O)[C@@H](O)[C@H](O)1 CH$IUPAC: InChI=1S/C6H13O8P/c7-3-1-5(8)14-4(6(3)9)2-13-15(10,11)12/h3-9H,1-2H2,(H2,10,11,12)/t3-,4-,5?,6+/m1/s1 CH$LINK: CHEBI CHEBI:16043 CH$LINK: KEGG C06369 -CH$LINK: PUBCHEM SID:8605 +CH$LINK: PUBCHEM CID:440992 CH$LINK: INCHIKEY UQJFZAAGZAYVKZ-CERMHHMHSA-N AC$INSTRUMENT: API3000, Applied Biosystems AC$INSTRUMENT_TYPE: LC-ESI-QQ diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO000656.txt b/Keio_Univ/MSBNK-Keio_Univ-KO000656.txt index a244270923a..66bb92f610a 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO000656.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO000656.txt @@ -13,7 +13,7 @@ CH$SMILES: OC(C1)O[C@H](COP(O)(O)=O)[C@@H](O)[C@H](O)1 CH$IUPAC: InChI=1S/C6H13O8P/c7-3-1-5(8)14-4(6(3)9)2-13-15(10,11)12/h3-9H,1-2H2,(H2,10,11,12)/t3-,4-,5?,6+/m1/s1 CH$LINK: CHEBI CHEBI:16043 CH$LINK: KEGG C06369 -CH$LINK: PUBCHEM SID:8605 +CH$LINK: PUBCHEM CID:440992 CH$LINK: INCHIKEY UQJFZAAGZAYVKZ-CERMHHMHSA-N AC$INSTRUMENT: API3000, Applied Biosystems AC$INSTRUMENT_TYPE: LC-ESI-QQ diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO000657.txt b/Keio_Univ/MSBNK-Keio_Univ-KO000657.txt index 507b62168aa..45aefd0c7c5 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO000657.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO000657.txt @@ -13,7 +13,7 @@ CH$SMILES: OC(C1)O[C@H](COP(O)(O)=O)[C@@H](O)[C@H](O)1 CH$IUPAC: InChI=1S/C6H13O8P/c7-3-1-5(8)14-4(6(3)9)2-13-15(10,11)12/h3-9H,1-2H2,(H2,10,11,12)/t3-,4-,5?,6+/m1/s1 CH$LINK: CHEBI CHEBI:16043 CH$LINK: KEGG C06369 -CH$LINK: PUBCHEM SID:8605 +CH$LINK: PUBCHEM CID:440992 CH$LINK: INCHIKEY UQJFZAAGZAYVKZ-CERMHHMHSA-N AC$INSTRUMENT: API3000, Applied Biosystems AC$INSTRUMENT_TYPE: LC-ESI-QQ diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO000658.txt b/Keio_Univ/MSBNK-Keio_Univ-KO000658.txt index 47788e334dd..59e78ea76fc 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO000658.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO000658.txt @@ -13,7 +13,7 @@ CH$SMILES: OC(C1)O[C@H](COP(O)(O)=O)[C@@H](O)[C@H](O)1 CH$IUPAC: InChI=1S/C6H13O8P/c7-3-1-5(8)14-4(6(3)9)2-13-15(10,11)12/h3-9H,1-2H2,(H2,10,11,12)/t3-,4-,5?,6+/m1/s1 CH$LINK: CHEBI CHEBI:16043 CH$LINK: KEGG C06369 -CH$LINK: PUBCHEM SID:8605 +CH$LINK: PUBCHEM CID:440992 CH$LINK: INCHIKEY UQJFZAAGZAYVKZ-CERMHHMHSA-N AC$INSTRUMENT: API3000, Applied Biosystems AC$INSTRUMENT_TYPE: LC-ESI-QQ diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO000659.txt b/Keio_Univ/MSBNK-Keio_Univ-KO000659.txt index ce70db3508d..792d68161cb 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO000659.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO000659.txt @@ -16,7 +16,7 @@ CH$IUPAC: InChI=1S/C4H11O3PS/c1-3-6-8(5,9)7-4-2/h3-4H2,1-2H3,(H,5,9) CH$LINK: CAS 5871-17-0 CH$LINK: KEGG C06607 CH$LINK: NIKKAJI J81.110F -CH$LINK: PUBCHEM SID:8833 +CH$LINK: PUBCHEM CID:655 CH$LINK: INCHIKEY PKUWKAXTAVNIJR-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID9052844 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO000660.txt b/Keio_Univ/MSBNK-Keio_Univ-KO000660.txt index fd75313201a..ae151372ecc 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO000660.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO000660.txt @@ -16,7 +16,7 @@ CH$IUPAC: InChI=1S/C4H11O3PS/c1-3-6-8(5,9)7-4-2/h3-4H2,1-2H3,(H,5,9) CH$LINK: CAS 5871-17-0 CH$LINK: KEGG C06607 CH$LINK: NIKKAJI J81.110F -CH$LINK: PUBCHEM SID:8833 +CH$LINK: PUBCHEM CID:655 CH$LINK: INCHIKEY PKUWKAXTAVNIJR-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID9052844 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO000661.txt b/Keio_Univ/MSBNK-Keio_Univ-KO000661.txt index 22d2942e0e7..313782384a9 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO000661.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO000661.txt @@ -16,7 +16,7 @@ CH$IUPAC: InChI=1S/C4H11O3PS/c1-3-6-8(5,9)7-4-2/h3-4H2,1-2H3,(H,5,9) CH$LINK: CAS 5871-17-0 CH$LINK: KEGG C06607 CH$LINK: NIKKAJI J81.110F -CH$LINK: PUBCHEM SID:8833 +CH$LINK: PUBCHEM CID:655 CH$LINK: INCHIKEY PKUWKAXTAVNIJR-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID9052844 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO000662.txt b/Keio_Univ/MSBNK-Keio_Univ-KO000662.txt index 14d4ccb985e..fa146ff774b 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO000662.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO000662.txt @@ -16,7 +16,7 @@ CH$IUPAC: InChI=1S/C4H11O3PS/c1-3-6-8(5,9)7-4-2/h3-4H2,1-2H3,(H,5,9) CH$LINK: CAS 5871-17-0 CH$LINK: KEGG C06607 CH$LINK: NIKKAJI J81.110F -CH$LINK: PUBCHEM SID:8833 +CH$LINK: PUBCHEM CID:655 CH$LINK: INCHIKEY PKUWKAXTAVNIJR-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID9052844 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO000663.txt b/Keio_Univ/MSBNK-Keio_Univ-KO000663.txt index b2de4783d18..2cfb48993ef 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO000663.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO000663.txt @@ -16,7 +16,7 @@ CH$IUPAC: InChI=1S/C4H11O3PS/c1-3-6-8(5,9)7-4-2/h3-4H2,1-2H3,(H,5,9) CH$LINK: CAS 5871-17-0 CH$LINK: KEGG C06607 CH$LINK: NIKKAJI J81.110F -CH$LINK: PUBCHEM SID:8833 +CH$LINK: PUBCHEM CID:655 CH$LINK: INCHIKEY PKUWKAXTAVNIJR-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID9052844 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO000664.txt b/Keio_Univ/MSBNK-Keio_Univ-KO000664.txt index 68052a1f26b..69260c7002e 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO000664.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO000664.txt @@ -13,7 +13,7 @@ CH$IUPAC: InChI=1S/C14H11Cl2NO2/c15-10-5-3-6-11(16)14(10)17-12-7-2-1-4-9(12)8-13 CH$LINK: CAS 15307-86-5 CH$LINK: KEGG C01690 CH$LINK: NIKKAJI J8.557J -CH$LINK: PUBCHEM SID:4831 +CH$LINK: PUBCHEM CID:3033 CH$LINK: INCHIKEY DCOPUUMXTXDBNB-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID6022923 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO000665.txt b/Keio_Univ/MSBNK-Keio_Univ-KO000665.txt index 3347f41ef91..4571d730cd5 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO000665.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO000665.txt @@ -13,7 +13,7 @@ CH$IUPAC: InChI=1S/C14H11Cl2NO2/c15-10-5-3-6-11(16)14(10)17-12-7-2-1-4-9(12)8-13 CH$LINK: CAS 15307-86-5 CH$LINK: KEGG C01690 CH$LINK: NIKKAJI J8.557J -CH$LINK: PUBCHEM SID:4831 +CH$LINK: PUBCHEM CID:3033 CH$LINK: INCHIKEY DCOPUUMXTXDBNB-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID6022923 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO000666.txt b/Keio_Univ/MSBNK-Keio_Univ-KO000666.txt index 5e93ad2716d..dcc1e8a0246 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO000666.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO000666.txt @@ -13,7 +13,7 @@ CH$IUPAC: InChI=1S/C14H11Cl2NO2/c15-10-5-3-6-11(16)14(10)17-12-7-2-1-4-9(12)8-13 CH$LINK: CAS 15307-86-5 CH$LINK: KEGG C01690 CH$LINK: NIKKAJI J8.557J -CH$LINK: PUBCHEM SID:4831 +CH$LINK: PUBCHEM CID:3033 CH$LINK: INCHIKEY DCOPUUMXTXDBNB-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID6022923 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO000667.txt b/Keio_Univ/MSBNK-Keio_Univ-KO000667.txt index 31dda2e2a9f..446d2b7ae1d 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO000667.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO000667.txt @@ -13,7 +13,7 @@ CH$IUPAC: InChI=1S/C14H11Cl2NO2/c15-10-5-3-6-11(16)14(10)17-12-7-2-1-4-9(12)8-13 CH$LINK: CAS 15307-86-5 CH$LINK: KEGG C01690 CH$LINK: NIKKAJI J8.557J -CH$LINK: PUBCHEM SID:4831 +CH$LINK: PUBCHEM CID:3033 CH$LINK: INCHIKEY DCOPUUMXTXDBNB-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID6022923 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO000668.txt b/Keio_Univ/MSBNK-Keio_Univ-KO000668.txt index e768b10fefd..a77e4be686c 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO000668.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO000668.txt @@ -13,7 +13,7 @@ CH$IUPAC: InChI=1S/C14H11Cl2NO2/c15-10-5-3-6-11(16)14(10)17-12-7-2-1-4-9(12)8-13 CH$LINK: CAS 15307-86-5 CH$LINK: KEGG C01690 CH$LINK: NIKKAJI J8.557J -CH$LINK: PUBCHEM SID:4831 +CH$LINK: PUBCHEM CID:3033 CH$LINK: INCHIKEY DCOPUUMXTXDBNB-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID6022923 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO000669.txt b/Keio_Univ/MSBNK-Keio_Univ-KO000669.txt index 1d64d4b7c44..b350ccc0e78 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO000669.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO000669.txt @@ -13,7 +13,7 @@ CH$SMILES: CN(C)[C@@H](CC1=CN=CN1)C(=O)O CH$IUPAC: InChI=1S/C8H13N3O2/c1-11(2)7(8(12)13)3-6-4-9-5-10-6/h4-5,7H,3H2,1-2H3,(H,9,10)(H,12,13)/t7-/m0/s1 CH$LINK: CHEBI CHEBI:16029 CH$LINK: KEGG C04259 -CH$LINK: PUBCHEM SID:6924 +CH$LINK: PUBCHEM CID:440274 CH$LINK: INCHIKEY IMOBSLOLPCWZKQ-ZETCQYMHSA-N CH$LINK: COMPTOX DTXSID60947821 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO000670.txt b/Keio_Univ/MSBNK-Keio_Univ-KO000670.txt index 1d99cef1dc6..645a36eb4ee 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO000670.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO000670.txt @@ -13,7 +13,7 @@ CH$SMILES: CN(C)[C@@H](CC1=CN=CN1)C(=O)O CH$IUPAC: InChI=1S/C8H13N3O2/c1-11(2)7(8(12)13)3-6-4-9-5-10-6/h4-5,7H,3H2,1-2H3,(H,9,10)(H,12,13)/t7-/m0/s1 CH$LINK: CHEBI CHEBI:16029 CH$LINK: KEGG C04259 -CH$LINK: PUBCHEM SID:6924 +CH$LINK: PUBCHEM CID:440274 CH$LINK: INCHIKEY IMOBSLOLPCWZKQ-ZETCQYMHSA-N CH$LINK: COMPTOX DTXSID60947821 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO000671.txt b/Keio_Univ/MSBNK-Keio_Univ-KO000671.txt index e0374f44728..c7496434c30 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO000671.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO000671.txt @@ -13,7 +13,7 @@ CH$SMILES: CN(C)[C@@H](CC1=CN=CN1)C(=O)O CH$IUPAC: InChI=1S/C8H13N3O2/c1-11(2)7(8(12)13)3-6-4-9-5-10-6/h4-5,7H,3H2,1-2H3,(H,9,10)(H,12,13)/t7-/m0/s1 CH$LINK: CHEBI CHEBI:16029 CH$LINK: KEGG C04259 -CH$LINK: PUBCHEM SID:6924 +CH$LINK: PUBCHEM CID:440274 CH$LINK: INCHIKEY IMOBSLOLPCWZKQ-ZETCQYMHSA-N CH$LINK: COMPTOX DTXSID60947821 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO000672.txt b/Keio_Univ/MSBNK-Keio_Univ-KO000672.txt index 197785d3ad3..ac3dc9918c9 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO000672.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO000672.txt @@ -13,7 +13,7 @@ CH$SMILES: CN(C)[C@@H](CC1=CN=CN1)C(=O)O CH$IUPAC: InChI=1S/C8H13N3O2/c1-11(2)7(8(12)13)3-6-4-9-5-10-6/h4-5,7H,3H2,1-2H3,(H,9,10)(H,12,13)/t7-/m0/s1 CH$LINK: CHEBI CHEBI:16029 CH$LINK: KEGG C04259 -CH$LINK: PUBCHEM SID:6924 +CH$LINK: PUBCHEM CID:440274 CH$LINK: INCHIKEY IMOBSLOLPCWZKQ-ZETCQYMHSA-N CH$LINK: COMPTOX DTXSID60947821 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO000673.txt b/Keio_Univ/MSBNK-Keio_Univ-KO000673.txt index cc805d64aa2..0cc9c5fb8f4 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO000673.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO000673.txt @@ -13,7 +13,7 @@ CH$SMILES: CN(C)[C@@H](CC1=CN=CN1)C(=O)O CH$IUPAC: InChI=1S/C8H13N3O2/c1-11(2)7(8(12)13)3-6-4-9-5-10-6/h4-5,7H,3H2,1-2H3,(H,9,10)(H,12,13)/t7-/m0/s1 CH$LINK: CHEBI CHEBI:16029 CH$LINK: KEGG C04259 -CH$LINK: PUBCHEM SID:6924 +CH$LINK: PUBCHEM CID:440274 CH$LINK: INCHIKEY IMOBSLOLPCWZKQ-ZETCQYMHSA-N CH$LINK: COMPTOX DTXSID60947821 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO000674.txt b/Keio_Univ/MSBNK-Keio_Univ-KO000674.txt index f326fe1e603..9474c855bee 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO000674.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO000674.txt @@ -15,7 +15,7 @@ CH$LINK: CAS 50-84-0 CH$LINK: CHEBI CHEBI:30748 CH$LINK: KEGG C06670 CH$LINK: NIKKAJI J55.459F -CH$LINK: PUBCHEM SID:8895 +CH$LINK: PUBCHEM CID:5787 CH$LINK: INCHIKEY ATCRIUVQKHMXSH-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID0024977 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO000675.txt b/Keio_Univ/MSBNK-Keio_Univ-KO000675.txt index f46306ea9f8..57de78e6731 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO000675.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO000675.txt @@ -15,7 +15,7 @@ CH$LINK: CAS 50-84-0 CH$LINK: CHEBI CHEBI:30748 CH$LINK: KEGG C06670 CH$LINK: NIKKAJI J55.459F -CH$LINK: PUBCHEM SID:8895 +CH$LINK: PUBCHEM CID:5787 CH$LINK: INCHIKEY ATCRIUVQKHMXSH-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID0024977 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO000676.txt b/Keio_Univ/MSBNK-Keio_Univ-KO000676.txt index ef74edf4a3f..dc7ef4f4b7d 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO000676.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO000676.txt @@ -15,7 +15,7 @@ CH$LINK: CAS 50-84-0 CH$LINK: CHEBI CHEBI:30748 CH$LINK: KEGG C06670 CH$LINK: NIKKAJI J55.459F -CH$LINK: PUBCHEM SID:8895 +CH$LINK: PUBCHEM CID:5787 CH$LINK: INCHIKEY ATCRIUVQKHMXSH-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID0024977 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO000677.txt b/Keio_Univ/MSBNK-Keio_Univ-KO000677.txt index 726d7ff38a6..a05e8328fe7 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO000677.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO000677.txt @@ -15,7 +15,7 @@ CH$LINK: CAS 50-84-0 CH$LINK: CHEBI CHEBI:30748 CH$LINK: KEGG C06670 CH$LINK: NIKKAJI J55.459F -CH$LINK: PUBCHEM SID:8895 +CH$LINK: PUBCHEM CID:5787 CH$LINK: INCHIKEY ATCRIUVQKHMXSH-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID0024977 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO000678.txt b/Keio_Univ/MSBNK-Keio_Univ-KO000678.txt index 2c9278eab33..76e4db7c14e 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO000678.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO000678.txt @@ -15,7 +15,7 @@ CH$LINK: CAS 50-84-0 CH$LINK: CHEBI CHEBI:30748 CH$LINK: KEGG C06670 CH$LINK: NIKKAJI J55.459F -CH$LINK: PUBCHEM SID:8895 +CH$LINK: PUBCHEM CID:5787 CH$LINK: INCHIKEY ATCRIUVQKHMXSH-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID0024977 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO000679.txt b/Keio_Univ/MSBNK-Keio_Univ-KO000679.txt index 8ee5d6030ae..107cdc1b2c3 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO000679.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO000679.txt @@ -15,7 +15,7 @@ CH$IUPAC: InChI=1S/C4H11O4P/c1-3-7-9(5,6)8-4-2/h3-4H2,1-2H3,(H,5,6) CH$LINK: CAS 598-02-7 CH$LINK: KEGG C06608 CH$LINK: NIKKAJI J1.649G -CH$LINK: PUBCHEM SID:8834 +CH$LINK: PUBCHEM CID:654 CH$LINK: INCHIKEY UCQFCFPECQILOL-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID1044699 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO000680.txt b/Keio_Univ/MSBNK-Keio_Univ-KO000680.txt index 80c0e3f6894..7af30f6897a 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO000680.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO000680.txt @@ -15,7 +15,7 @@ CH$IUPAC: InChI=1S/C4H11O4P/c1-3-7-9(5,6)8-4-2/h3-4H2,1-2H3,(H,5,6) CH$LINK: CAS 598-02-7 CH$LINK: KEGG C06608 CH$LINK: NIKKAJI J1.649G -CH$LINK: PUBCHEM SID:8834 +CH$LINK: PUBCHEM CID:654 CH$LINK: INCHIKEY UCQFCFPECQILOL-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID1044699 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO000681.txt b/Keio_Univ/MSBNK-Keio_Univ-KO000681.txt index 74ebf05852c..937cef11a83 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO000681.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO000681.txt @@ -15,7 +15,7 @@ CH$IUPAC: InChI=1S/C4H11O4P/c1-3-7-9(5,6)8-4-2/h3-4H2,1-2H3,(H,5,6) CH$LINK: CAS 598-02-7 CH$LINK: KEGG C06608 CH$LINK: NIKKAJI J1.649G -CH$LINK: PUBCHEM SID:8834 +CH$LINK: PUBCHEM CID:654 CH$LINK: INCHIKEY UCQFCFPECQILOL-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID1044699 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO000682.txt b/Keio_Univ/MSBNK-Keio_Univ-KO000682.txt index d4f5d016986..bc1f86ef0b3 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO000682.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO000682.txt @@ -15,7 +15,7 @@ CH$IUPAC: InChI=1S/C4H11O4P/c1-3-7-9(5,6)8-4-2/h3-4H2,1-2H3,(H,5,6) CH$LINK: CAS 598-02-7 CH$LINK: KEGG C06608 CH$LINK: NIKKAJI J1.649G -CH$LINK: PUBCHEM SID:8834 +CH$LINK: PUBCHEM CID:654 CH$LINK: INCHIKEY UCQFCFPECQILOL-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID1044699 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO000683.txt b/Keio_Univ/MSBNK-Keio_Univ-KO000683.txt index a31054be8f5..94cf57c8b5c 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO000683.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO000683.txt @@ -15,7 +15,7 @@ CH$IUPAC: InChI=1S/C4H11O4P/c1-3-7-9(5,6)8-4-2/h3-4H2,1-2H3,(H,5,6) CH$LINK: CAS 598-02-7 CH$LINK: KEGG C06608 CH$LINK: NIKKAJI J1.649G -CH$LINK: PUBCHEM SID:8834 +CH$LINK: PUBCHEM CID:654 CH$LINK: INCHIKEY UCQFCFPECQILOL-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID1044699 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO000684.txt b/Keio_Univ/MSBNK-Keio_Univ-KO000684.txt index 1514d0e50af..3b7dd6e80e8 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO000684.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO000684.txt @@ -14,7 +14,7 @@ CH$IUPAC: InChI=1S/C2H2Cl2O2/c3-1(4)2(5)6/h1H,(H,5,6) CH$LINK: CAS 79-43-6 CH$LINK: KEGG C11149 CH$LINK: NIKKAJI J2.834G -CH$LINK: PUBCHEM SID:13331 +CH$LINK: PUBCHEM CID:6597 CH$LINK: INCHIKEY JXTHNDFMNIQAHM-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID2020428 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO000685.txt b/Keio_Univ/MSBNK-Keio_Univ-KO000685.txt index 61affbce40e..051b9c60f78 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO000685.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO000685.txt @@ -14,7 +14,7 @@ CH$IUPAC: InChI=1S/C2H2Cl2O2/c3-1(4)2(5)6/h1H,(H,5,6) CH$LINK: CAS 79-43-6 CH$LINK: KEGG C11149 CH$LINK: NIKKAJI J2.834G -CH$LINK: PUBCHEM SID:13331 +CH$LINK: PUBCHEM CID:6597 CH$LINK: INCHIKEY JXTHNDFMNIQAHM-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID2020428 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO000686.txt b/Keio_Univ/MSBNK-Keio_Univ-KO000686.txt index e39fa0b366f..ebc5ac1181a 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO000686.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO000686.txt @@ -14,7 +14,7 @@ CH$IUPAC: InChI=1S/C2H2Cl2O2/c3-1(4)2(5)6/h1H,(H,5,6) CH$LINK: CAS 79-43-6 CH$LINK: KEGG C11149 CH$LINK: NIKKAJI J2.834G -CH$LINK: PUBCHEM SID:13331 +CH$LINK: PUBCHEM CID:6597 CH$LINK: INCHIKEY JXTHNDFMNIQAHM-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID2020428 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO000687.txt b/Keio_Univ/MSBNK-Keio_Univ-KO000687.txt index 883903d763b..05ce361f1da 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO000687.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO000687.txt @@ -14,7 +14,7 @@ CH$IUPAC: InChI=1S/C2H2Cl2O2/c3-1(4)2(5)6/h1H,(H,5,6) CH$LINK: CAS 79-43-6 CH$LINK: KEGG C11149 CH$LINK: NIKKAJI J2.834G -CH$LINK: PUBCHEM SID:13331 +CH$LINK: PUBCHEM CID:6597 CH$LINK: INCHIKEY JXTHNDFMNIQAHM-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID2020428 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO000688.txt b/Keio_Univ/MSBNK-Keio_Univ-KO000688.txt index e6bb51203b3..2e411c97696 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO000688.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO000688.txt @@ -14,7 +14,7 @@ CH$IUPAC: InChI=1S/C2H2Cl2O2/c3-1(4)2(5)6/h1H,(H,5,6) CH$LINK: CAS 79-43-6 CH$LINK: KEGG C11149 CH$LINK: NIKKAJI J2.834G -CH$LINK: PUBCHEM SID:13331 +CH$LINK: PUBCHEM CID:6597 CH$LINK: INCHIKEY JXTHNDFMNIQAHM-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID2020428 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO000689.txt b/Keio_Univ/MSBNK-Keio_Univ-KO000689.txt index 231e047b49e..22a3b8a02c4 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO000689.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO000689.txt @@ -14,7 +14,7 @@ CH$IUPAC: InChI=1S/C13H14N4O/c18-13(16-14-11-7-3-1-4-8-11)17-15-12-9-5-2-6-10-12 CH$LINK: CAS 140-22-7 CH$LINK: KEGG C11232 CH$LINK: NIKKAJI J5.651K -CH$LINK: PUBCHEM SID:13411 +CH$LINK: PUBCHEM CID:8789 CH$LINK: INCHIKEY KSPIHGBHKVISFI-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID7059690 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO000690.txt b/Keio_Univ/MSBNK-Keio_Univ-KO000690.txt index cde0ebd8047..a7f9960ca2b 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO000690.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO000690.txt @@ -14,7 +14,7 @@ CH$IUPAC: InChI=1S/C13H14N4O/c18-13(16-14-11-7-3-1-4-8-11)17-15-12-9-5-2-6-10-12 CH$LINK: CAS 140-22-7 CH$LINK: KEGG C11232 CH$LINK: NIKKAJI J5.651K -CH$LINK: PUBCHEM SID:13411 +CH$LINK: PUBCHEM CID:8789 CH$LINK: INCHIKEY KSPIHGBHKVISFI-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID7059690 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO000691.txt b/Keio_Univ/MSBNK-Keio_Univ-KO000691.txt index f1f1052c012..f0bd5324a6c 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO000691.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO000691.txt @@ -14,7 +14,7 @@ CH$IUPAC: InChI=1S/C13H14N4O/c18-13(16-14-11-7-3-1-4-8-11)17-15-12-9-5-2-6-10-12 CH$LINK: CAS 140-22-7 CH$LINK: KEGG C11232 CH$LINK: NIKKAJI J5.651K -CH$LINK: PUBCHEM SID:13411 +CH$LINK: PUBCHEM CID:8789 CH$LINK: INCHIKEY KSPIHGBHKVISFI-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID7059690 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO000692.txt b/Keio_Univ/MSBNK-Keio_Univ-KO000692.txt index 8a864339f02..965d079fe45 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO000692.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO000692.txt @@ -14,7 +14,7 @@ CH$IUPAC: InChI=1S/C13H14N4O/c18-13(16-14-11-7-3-1-4-8-11)17-15-12-9-5-2-6-10-12 CH$LINK: CAS 140-22-7 CH$LINK: KEGG C11232 CH$LINK: NIKKAJI J5.651K -CH$LINK: PUBCHEM SID:13411 +CH$LINK: PUBCHEM CID:8789 CH$LINK: INCHIKEY KSPIHGBHKVISFI-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID7059690 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO000693.txt b/Keio_Univ/MSBNK-Keio_Univ-KO000693.txt index a302373dc0b..b66b7aa1dfe 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO000693.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO000693.txt @@ -14,7 +14,7 @@ CH$IUPAC: InChI=1S/C13H14N4O/c18-13(16-14-11-7-3-1-4-8-11)17-15-12-9-5-2-6-10-12 CH$LINK: CAS 140-22-7 CH$LINK: KEGG C11232 CH$LINK: NIKKAJI J5.651K -CH$LINK: PUBCHEM SID:13411 +CH$LINK: PUBCHEM CID:8789 CH$LINK: INCHIKEY KSPIHGBHKVISFI-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID7059690 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO000694.txt b/Keio_Univ/MSBNK-Keio_Univ-KO000694.txt index 2226aa18ba7..f99eefc1d72 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO000694.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO000694.txt @@ -13,7 +13,7 @@ CH$IUPAC: InChI=1S/C6H12N2O3/c1-8(2)7-5(9)3-4-6(10)11/h3-4H2,1-2H3,(H,7,9)(H,10, CH$LINK: CAS 1596-84-5 CH$LINK: KEGG C10996 CH$LINK: NIKKAJI J1.772H -CH$LINK: PUBCHEM SID:13179 +CH$LINK: PUBCHEM CID:15331 CH$LINK: INCHIKEY NOQGZXFMHARMLW-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID9020370 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO000695.txt b/Keio_Univ/MSBNK-Keio_Univ-KO000695.txt index 2d2bdf867c3..30510a4face 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO000695.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO000695.txt @@ -13,7 +13,7 @@ CH$IUPAC: InChI=1S/C6H12N2O3/c1-8(2)7-5(9)3-4-6(10)11/h3-4H2,1-2H3,(H,7,9)(H,10, CH$LINK: CAS 1596-84-5 CH$LINK: KEGG C10996 CH$LINK: NIKKAJI J1.772H -CH$LINK: PUBCHEM SID:13179 +CH$LINK: PUBCHEM CID:15331 CH$LINK: INCHIKEY NOQGZXFMHARMLW-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID9020370 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO000696.txt b/Keio_Univ/MSBNK-Keio_Univ-KO000696.txt index d33081425e7..6d963bd7066 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO000696.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO000696.txt @@ -13,7 +13,7 @@ CH$IUPAC: InChI=1S/C6H12N2O3/c1-8(2)7-5(9)3-4-6(10)11/h3-4H2,1-2H3,(H,7,9)(H,10, CH$LINK: CAS 1596-84-5 CH$LINK: KEGG C10996 CH$LINK: NIKKAJI J1.772H -CH$LINK: PUBCHEM SID:13179 +CH$LINK: PUBCHEM CID:15331 CH$LINK: INCHIKEY NOQGZXFMHARMLW-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID9020370 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO000697.txt b/Keio_Univ/MSBNK-Keio_Univ-KO000697.txt index 7451b600eea..ab88d0f133c 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO000697.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO000697.txt @@ -13,7 +13,7 @@ CH$IUPAC: InChI=1S/C6H12N2O3/c1-8(2)7-5(9)3-4-6(10)11/h3-4H2,1-2H3,(H,7,9)(H,10, CH$LINK: CAS 1596-84-5 CH$LINK: KEGG C10996 CH$LINK: NIKKAJI J1.772H -CH$LINK: PUBCHEM SID:13179 +CH$LINK: PUBCHEM CID:15331 CH$LINK: INCHIKEY NOQGZXFMHARMLW-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID9020370 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO000698.txt b/Keio_Univ/MSBNK-Keio_Univ-KO000698.txt index a6683efe8c3..463135ad8dc 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO000698.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO000698.txt @@ -13,7 +13,7 @@ CH$IUPAC: InChI=1S/C6H12N2O3/c1-8(2)7-5(9)3-4-6(10)11/h3-4H2,1-2H3,(H,7,9)(H,10, CH$LINK: CAS 1596-84-5 CH$LINK: KEGG C10996 CH$LINK: NIKKAJI J1.772H -CH$LINK: PUBCHEM SID:13179 +CH$LINK: PUBCHEM CID:15331 CH$LINK: INCHIKEY NOQGZXFMHARMLW-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID9020370 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO000699.txt b/Keio_Univ/MSBNK-Keio_Univ-KO000699.txt index 9cfa027c814..e7a32b6f9c6 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO000699.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO000699.txt @@ -13,7 +13,7 @@ CH$SMILES: CCNC(=O)CC[C@H](N)C(O)=O CH$IUPAC: InChI=1S/C7H14N2O3/c1-2-9-6(10)4-3-5(8)7(11)12/h5H,2-4,8H2,1H3,(H,9,10)(H,11,12)/t5-/m0/s1 CH$LINK: CHEBI CHEBI:17394 CH$LINK: KEGG C01047 -CH$LINK: PUBCHEM SID:4289 +CH$LINK: PUBCHEM CID:439378 CH$LINK: INCHIKEY DATAGRPVKZEWHA-YFKPBYRVSA-N CH$LINK: COMPTOX DTXSID80184817 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO000700.txt b/Keio_Univ/MSBNK-Keio_Univ-KO000700.txt index 094dd8f8c6d..89e0c8dfdeb 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO000700.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO000700.txt @@ -13,7 +13,7 @@ CH$SMILES: CCNC(=O)CC[C@H](N)C(O)=O CH$IUPAC: InChI=1S/C7H14N2O3/c1-2-9-6(10)4-3-5(8)7(11)12/h5H,2-4,8H2,1H3,(H,9,10)(H,11,12)/t5-/m0/s1 CH$LINK: CHEBI CHEBI:17394 CH$LINK: KEGG C01047 -CH$LINK: PUBCHEM SID:4289 +CH$LINK: PUBCHEM CID:439378 CH$LINK: INCHIKEY DATAGRPVKZEWHA-YFKPBYRVSA-N CH$LINK: COMPTOX DTXSID80184817 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO000701.txt b/Keio_Univ/MSBNK-Keio_Univ-KO000701.txt index 03917baaceb..e9cc54d4100 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO000701.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO000701.txt @@ -13,7 +13,7 @@ CH$SMILES: CCNC(=O)CC[C@H](N)C(O)=O CH$IUPAC: InChI=1S/C7H14N2O3/c1-2-9-6(10)4-3-5(8)7(11)12/h5H,2-4,8H2,1H3,(H,9,10)(H,11,12)/t5-/m0/s1 CH$LINK: CHEBI CHEBI:17394 CH$LINK: KEGG C01047 -CH$LINK: PUBCHEM SID:4289 +CH$LINK: PUBCHEM CID:439378 CH$LINK: INCHIKEY DATAGRPVKZEWHA-YFKPBYRVSA-N CH$LINK: COMPTOX DTXSID80184817 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO000702.txt b/Keio_Univ/MSBNK-Keio_Univ-KO000702.txt index 07072aa2ae8..9e449245bac 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO000702.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO000702.txt @@ -13,7 +13,7 @@ CH$SMILES: CCNC(=O)CC[C@H](N)C(O)=O CH$IUPAC: InChI=1S/C7H14N2O3/c1-2-9-6(10)4-3-5(8)7(11)12/h5H,2-4,8H2,1H3,(H,9,10)(H,11,12)/t5-/m0/s1 CH$LINK: CHEBI CHEBI:17394 CH$LINK: KEGG C01047 -CH$LINK: PUBCHEM SID:4289 +CH$LINK: PUBCHEM CID:439378 CH$LINK: INCHIKEY DATAGRPVKZEWHA-YFKPBYRVSA-N CH$LINK: COMPTOX DTXSID80184817 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO000703.txt b/Keio_Univ/MSBNK-Keio_Univ-KO000703.txt index 0233948ec8e..8f03999766b 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO000703.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO000703.txt @@ -13,7 +13,7 @@ CH$SMILES: CCNC(=O)CC[C@H](N)C(O)=O CH$IUPAC: InChI=1S/C7H14N2O3/c1-2-9-6(10)4-3-5(8)7(11)12/h5H,2-4,8H2,1H3,(H,9,10)(H,11,12)/t5-/m0/s1 CH$LINK: CHEBI CHEBI:17394 CH$LINK: KEGG C01047 -CH$LINK: PUBCHEM SID:4289 +CH$LINK: PUBCHEM CID:439378 CH$LINK: INCHIKEY DATAGRPVKZEWHA-YFKPBYRVSA-N CH$LINK: COMPTOX DTXSID80184817 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO000704.txt b/Keio_Univ/MSBNK-Keio_Univ-KO000704.txt index ea035d1a6fa..c13ce59fa97 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO000704.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO000704.txt @@ -17,7 +17,7 @@ CH$LINK: CAS 1071-23-4 CH$LINK: CHEBI CHEBI:17553 CH$LINK: KEGG C00346 CH$LINK: NIKKAJI J12.176B -CH$LINK: PUBCHEM SID:3639 +CH$LINK: PUBCHEM CID:1015 CH$LINK: INCHIKEY SUHOOTKUPISOBE-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID5061453 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO000705.txt b/Keio_Univ/MSBNK-Keio_Univ-KO000705.txt index a05550d0969..823ea9f6fde 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO000705.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO000705.txt @@ -17,7 +17,7 @@ CH$LINK: CAS 1071-23-4 CH$LINK: CHEBI CHEBI:17553 CH$LINK: KEGG C00346 CH$LINK: NIKKAJI J12.176B -CH$LINK: PUBCHEM SID:3639 +CH$LINK: PUBCHEM CID:1015 CH$LINK: INCHIKEY SUHOOTKUPISOBE-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID5061453 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO000706.txt b/Keio_Univ/MSBNK-Keio_Univ-KO000706.txt index 2eb15c1eb3d..b58462f4aeb 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO000706.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO000706.txt @@ -17,7 +17,7 @@ CH$LINK: CAS 1071-23-4 CH$LINK: CHEBI CHEBI:17553 CH$LINK: KEGG C00346 CH$LINK: NIKKAJI J12.176B -CH$LINK: PUBCHEM SID:3639 +CH$LINK: PUBCHEM CID:1015 CH$LINK: INCHIKEY SUHOOTKUPISOBE-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID5061453 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO000707.txt b/Keio_Univ/MSBNK-Keio_Univ-KO000707.txt index 503de725a98..0d78ccd02ae 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO000707.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO000707.txt @@ -17,7 +17,7 @@ CH$LINK: CAS 1071-23-4 CH$LINK: CHEBI CHEBI:17553 CH$LINK: KEGG C00346 CH$LINK: NIKKAJI J12.176B -CH$LINK: PUBCHEM SID:3639 +CH$LINK: PUBCHEM CID:1015 CH$LINK: INCHIKEY SUHOOTKUPISOBE-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID5061453 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO000708.txt b/Keio_Univ/MSBNK-Keio_Univ-KO000708.txt index cbc8a4db06d..ce074485a36 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO000708.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO000708.txt @@ -17,7 +17,7 @@ CH$LINK: CAS 1071-23-4 CH$LINK: CHEBI CHEBI:17553 CH$LINK: KEGG C00346 CH$LINK: NIKKAJI J12.176B -CH$LINK: PUBCHEM SID:3639 +CH$LINK: PUBCHEM CID:1015 CH$LINK: INCHIKEY SUHOOTKUPISOBE-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID5061453 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO000709.txt b/Keio_Univ/MSBNK-Keio_Univ-KO000709.txt index 0fbe1403e5f..7e8a5e14638 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO000709.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO000709.txt @@ -16,7 +16,7 @@ CH$IUPAC: InChI=1S/C2H8O7P2/c1-2(3,10(4,5)6)11(7,8)9/h3H,1H3,(H2,4,5,6)(H2,7,8,9 CH$LINK: CAS 2809-21-4 CH$LINK: KEGG C07736 CH$LINK: NIKKAJI J7.915D -CH$LINK: PUBCHEM SID:9938 +CH$LINK: PUBCHEM CID:3305 CH$LINK: INCHIKEY DBVJJBKOTRCVKF-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID6023028 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO000710.txt b/Keio_Univ/MSBNK-Keio_Univ-KO000710.txt index a35d96ede68..e1a72892aeb 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO000710.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO000710.txt @@ -16,7 +16,7 @@ CH$IUPAC: InChI=1S/C2H8O7P2/c1-2(3,10(4,5)6)11(7,8)9/h3H,1H3,(H2,4,5,6)(H2,7,8,9 CH$LINK: CAS 2809-21-4 CH$LINK: KEGG C07736 CH$LINK: NIKKAJI J7.915D -CH$LINK: PUBCHEM SID:9938 +CH$LINK: PUBCHEM CID:3305 CH$LINK: INCHIKEY DBVJJBKOTRCVKF-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID6023028 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO000711.txt b/Keio_Univ/MSBNK-Keio_Univ-KO000711.txt index 6dda5c496ce..cf49c735174 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO000711.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO000711.txt @@ -16,7 +16,7 @@ CH$IUPAC: InChI=1S/C2H8O7P2/c1-2(3,10(4,5)6)11(7,8)9/h3H,1H3,(H2,4,5,6)(H2,7,8,9 CH$LINK: CAS 2809-21-4 CH$LINK: KEGG C07736 CH$LINK: NIKKAJI J7.915D -CH$LINK: PUBCHEM SID:9938 +CH$LINK: PUBCHEM CID:3305 CH$LINK: INCHIKEY DBVJJBKOTRCVKF-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID6023028 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO000712.txt b/Keio_Univ/MSBNK-Keio_Univ-KO000712.txt index 4caa088ab68..fe1f2d02474 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO000712.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO000712.txt @@ -16,7 +16,7 @@ CH$IUPAC: InChI=1S/C2H8O7P2/c1-2(3,10(4,5)6)11(7,8)9/h3H,1H3,(H2,4,5,6)(H2,7,8,9 CH$LINK: CAS 2809-21-4 CH$LINK: KEGG C07736 CH$LINK: NIKKAJI J7.915D -CH$LINK: PUBCHEM SID:9938 +CH$LINK: PUBCHEM CID:3305 CH$LINK: INCHIKEY DBVJJBKOTRCVKF-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID6023028 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO000713.txt b/Keio_Univ/MSBNK-Keio_Univ-KO000713.txt index 9a3bd465e42..9ac93c7a0b7 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO000713.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO000713.txt @@ -16,7 +16,7 @@ CH$IUPAC: InChI=1S/C2H8O7P2/c1-2(3,10(4,5)6)11(7,8)9/h3H,1H3,(H2,4,5,6)(H2,7,8,9 CH$LINK: CAS 2809-21-4 CH$LINK: KEGG C07736 CH$LINK: NIKKAJI J7.915D -CH$LINK: PUBCHEM SID:9938 +CH$LINK: PUBCHEM CID:3305 CH$LINK: INCHIKEY DBVJJBKOTRCVKF-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID6023028 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO000719.txt b/Keio_Univ/MSBNK-Keio_Univ-KO000719.txt index fbe5b943c0d..c054ef5229f 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO000719.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO000719.txt @@ -13,7 +13,7 @@ CH$IUPAC: InChI=1S/C8H10N2S/c1-2-7-5-6(8(9)11)3-4-10-7/h3-5H,2H2,1H3,(H2,9,11) CH$LINK: CAS 536-33-4 CH$LINK: KEGG C07665 CH$LINK: NIKKAJI J2.066D -CH$LINK: PUBCHEM SID:9867 +CH$LINK: PUBCHEM CID:2761171 CH$LINK: INCHIKEY AEOCXXJPGCBFJA-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID0020577 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO000720.txt b/Keio_Univ/MSBNK-Keio_Univ-KO000720.txt index a52289f7b23..6ea4f7f47c7 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO000720.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO000720.txt @@ -13,7 +13,7 @@ CH$IUPAC: InChI=1S/C8H10N2S/c1-2-7-5-6(8(9)11)3-4-10-7/h3-5H,2H2,1H3,(H2,9,11) CH$LINK: CAS 536-33-4 CH$LINK: KEGG C07665 CH$LINK: NIKKAJI J2.066D -CH$LINK: PUBCHEM SID:9867 +CH$LINK: PUBCHEM CID:2761171 CH$LINK: INCHIKEY AEOCXXJPGCBFJA-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID0020577 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO000721.txt b/Keio_Univ/MSBNK-Keio_Univ-KO000721.txt index c0bcd4fa496..6a62e8aa95b 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO000721.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO000721.txt @@ -13,7 +13,7 @@ CH$IUPAC: InChI=1S/C8H10N2S/c1-2-7-5-6(8(9)11)3-4-10-7/h3-5H,2H2,1H3,(H2,9,11) CH$LINK: CAS 536-33-4 CH$LINK: KEGG C07665 CH$LINK: NIKKAJI J2.066D -CH$LINK: PUBCHEM SID:9867 +CH$LINK: PUBCHEM CID:2761171 CH$LINK: INCHIKEY AEOCXXJPGCBFJA-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID0020577 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO000722.txt b/Keio_Univ/MSBNK-Keio_Univ-KO000722.txt index 32e76c17324..0e429907251 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO000722.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO000722.txt @@ -13,7 +13,7 @@ CH$IUPAC: InChI=1S/C8H10N2S/c1-2-7-5-6(8(9)11)3-4-10-7/h3-5H,2H2,1H3,(H2,9,11) CH$LINK: CAS 536-33-4 CH$LINK: KEGG C07665 CH$LINK: NIKKAJI J2.066D -CH$LINK: PUBCHEM SID:9867 +CH$LINK: PUBCHEM CID:2761171 CH$LINK: INCHIKEY AEOCXXJPGCBFJA-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID0020577 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO000723.txt b/Keio_Univ/MSBNK-Keio_Univ-KO000723.txt index 5b2cc013112..60c7bbe2d22 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO000723.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO000723.txt @@ -13,7 +13,7 @@ CH$IUPAC: InChI=1S/C8H10N2S/c1-2-7-5-6(8(9)11)3-4-10-7/h3-5H,2H2,1H3,(H2,9,11) CH$LINK: CAS 536-33-4 CH$LINK: KEGG C07665 CH$LINK: NIKKAJI J2.066D -CH$LINK: PUBCHEM SID:9867 +CH$LINK: PUBCHEM CID:2761171 CH$LINK: INCHIKEY AEOCXXJPGCBFJA-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID0020577 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO000729.txt b/Keio_Univ/MSBNK-Keio_Univ-KO000729.txt index afe7a642e37..3e0302595f0 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO000729.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO000729.txt @@ -15,7 +15,7 @@ CH$LINK: CAS 621-51-2 CH$LINK: CHEBI CHEBI:27990 CH$LINK: KEGG C02363 CH$LINK: NIKKAJI J100.252J -CH$LINK: PUBCHEM SID:5408 +CH$LINK: PUBCHEM CID:12126 CH$LINK: INCHIKEY DTFQMPQJMDEWKJ-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID80211152 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO000730.txt b/Keio_Univ/MSBNK-Keio_Univ-KO000730.txt index 4d673c007cb..0ae74597b30 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO000730.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO000730.txt @@ -15,7 +15,7 @@ CH$LINK: CAS 621-51-2 CH$LINK: CHEBI CHEBI:27990 CH$LINK: KEGG C02363 CH$LINK: NIKKAJI J100.252J -CH$LINK: PUBCHEM SID:5408 +CH$LINK: PUBCHEM CID:12126 CH$LINK: INCHIKEY DTFQMPQJMDEWKJ-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID80211152 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO000731.txt b/Keio_Univ/MSBNK-Keio_Univ-KO000731.txt index ae5fec5b317..662944f292d 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO000731.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO000731.txt @@ -15,7 +15,7 @@ CH$LINK: CAS 621-51-2 CH$LINK: CHEBI CHEBI:27990 CH$LINK: KEGG C02363 CH$LINK: NIKKAJI J100.252J -CH$LINK: PUBCHEM SID:5408 +CH$LINK: PUBCHEM CID:12126 CH$LINK: INCHIKEY DTFQMPQJMDEWKJ-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID80211152 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO000732.txt b/Keio_Univ/MSBNK-Keio_Univ-KO000732.txt index 1f548392fc8..0801dceb794 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO000732.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO000732.txt @@ -15,7 +15,7 @@ CH$LINK: CAS 621-51-2 CH$LINK: CHEBI CHEBI:27990 CH$LINK: KEGG C02363 CH$LINK: NIKKAJI J100.252J -CH$LINK: PUBCHEM SID:5408 +CH$LINK: PUBCHEM CID:12126 CH$LINK: INCHIKEY DTFQMPQJMDEWKJ-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID80211152 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO000733.txt b/Keio_Univ/MSBNK-Keio_Univ-KO000733.txt index b0c98b45c05..e7f95081eaa 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO000733.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO000733.txt @@ -15,7 +15,7 @@ CH$LINK: CAS 621-51-2 CH$LINK: CHEBI CHEBI:27990 CH$LINK: KEGG C02363 CH$LINK: NIKKAJI J100.252J -CH$LINK: PUBCHEM SID:5408 +CH$LINK: PUBCHEM CID:12126 CH$LINK: INCHIKEY DTFQMPQJMDEWKJ-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID80211152 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO000734.txt b/Keio_Univ/MSBNK-Keio_Univ-KO000734.txt index 65e2ddea970..ce299537af5 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO000734.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO000734.txt @@ -21,7 +21,7 @@ CH$LINK: CAS 51-43-4 CH$LINK: CHEBI CHEBI:28918 CH$LINK: KEGG C00788 CH$LINK: NIKKAJI J9.224J -CH$LINK: PUBCHEM SID:4046 +CH$LINK: PUBCHEM CID:5816 CH$LINK: INCHIKEY UCTWMZQNUQWSLP-VIFPVBQESA-N CH$LINK: COMPTOX DTXSID5022986 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO000735.txt b/Keio_Univ/MSBNK-Keio_Univ-KO000735.txt index 0e842d0be96..cf7e4c1b260 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO000735.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO000735.txt @@ -21,7 +21,7 @@ CH$LINK: CAS 51-43-4 CH$LINK: CHEBI CHEBI:28918 CH$LINK: KEGG C00788 CH$LINK: NIKKAJI J9.224J -CH$LINK: PUBCHEM SID:4046 +CH$LINK: PUBCHEM CID:5816 CH$LINK: INCHIKEY UCTWMZQNUQWSLP-VIFPVBQESA-N CH$LINK: COMPTOX DTXSID5022986 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO000736.txt b/Keio_Univ/MSBNK-Keio_Univ-KO000736.txt index 3177dc74b41..b097c4b0b72 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO000736.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO000736.txt @@ -21,7 +21,7 @@ CH$LINK: CAS 51-43-4 CH$LINK: CHEBI CHEBI:28918 CH$LINK: KEGG C00788 CH$LINK: NIKKAJI J9.224J -CH$LINK: PUBCHEM SID:4046 +CH$LINK: PUBCHEM CID:5816 CH$LINK: INCHIKEY UCTWMZQNUQWSLP-VIFPVBQESA-N CH$LINK: COMPTOX DTXSID5022986 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO000737.txt b/Keio_Univ/MSBNK-Keio_Univ-KO000737.txt index f2313abef47..a3e5ecb73ec 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO000737.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO000737.txt @@ -21,7 +21,7 @@ CH$LINK: CAS 51-43-4 CH$LINK: CHEBI CHEBI:28918 CH$LINK: KEGG C00788 CH$LINK: NIKKAJI J9.224J -CH$LINK: PUBCHEM SID:4046 +CH$LINK: PUBCHEM CID:5816 CH$LINK: INCHIKEY UCTWMZQNUQWSLP-VIFPVBQESA-N CH$LINK: COMPTOX DTXSID5022986 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO000738.txt b/Keio_Univ/MSBNK-Keio_Univ-KO000738.txt index 07833e04af2..a0615c13cc9 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO000738.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO000738.txt @@ -21,7 +21,7 @@ CH$LINK: CAS 51-43-4 CH$LINK: CHEBI CHEBI:28918 CH$LINK: KEGG C00788 CH$LINK: NIKKAJI J9.224J -CH$LINK: PUBCHEM SID:4046 +CH$LINK: PUBCHEM CID:5816 CH$LINK: INCHIKEY UCTWMZQNUQWSLP-VIFPVBQESA-N CH$LINK: COMPTOX DTXSID5022986 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO000745.txt b/Keio_Univ/MSBNK-Keio_Univ-KO000745.txt index 51c857e16d0..be617f9ec29 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO000745.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO000745.txt @@ -17,7 +17,7 @@ CH$LINK: CAS 643-13-0 CH$LINK: CHEBI CHEBI:15946 CH$LINK: KEGG C00085 CH$LINK: NIKKAJI J92.807K -CH$LINK: PUBCHEM SID:3385 +CH$LINK: PUBCHEM CID:439160 CH$LINK: INCHIKEY BGWGXPAPYGQALX-VRPWFDPXSA-N AC$INSTRUMENT: API3000, Applied Biosystems AC$INSTRUMENT_TYPE: LC-ESI-QQ diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO000746.txt b/Keio_Univ/MSBNK-Keio_Univ-KO000746.txt index 1f054e124d3..f1fbd70af9f 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO000746.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO000746.txt @@ -17,7 +17,7 @@ CH$LINK: CAS 643-13-0 CH$LINK: CHEBI CHEBI:15946 CH$LINK: KEGG C00085 CH$LINK: NIKKAJI J92.807K -CH$LINK: PUBCHEM SID:3385 +CH$LINK: PUBCHEM CID:439160 CH$LINK: INCHIKEY BGWGXPAPYGQALX-VRPWFDPXSA-N AC$INSTRUMENT: API3000, Applied Biosystems AC$INSTRUMENT_TYPE: LC-ESI-QQ diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO000747.txt b/Keio_Univ/MSBNK-Keio_Univ-KO000747.txt index 692074fa5a7..35e52c1e3ba 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO000747.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO000747.txt @@ -17,7 +17,7 @@ CH$LINK: CAS 643-13-0 CH$LINK: CHEBI CHEBI:15946 CH$LINK: KEGG C00085 CH$LINK: NIKKAJI J92.807K -CH$LINK: PUBCHEM SID:3385 +CH$LINK: PUBCHEM CID:439160 CH$LINK: INCHIKEY BGWGXPAPYGQALX-VRPWFDPXSA-N AC$INSTRUMENT: API3000, Applied Biosystems AC$INSTRUMENT_TYPE: LC-ESI-QQ diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO000748.txt b/Keio_Univ/MSBNK-Keio_Univ-KO000748.txt index 8aabddc453b..0d20ee7cb88 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO000748.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO000748.txt @@ -17,7 +17,7 @@ CH$LINK: CAS 643-13-0 CH$LINK: CHEBI CHEBI:15946 CH$LINK: KEGG C00085 CH$LINK: NIKKAJI J92.807K -CH$LINK: PUBCHEM SID:3385 +CH$LINK: PUBCHEM CID:439160 CH$LINK: INCHIKEY BGWGXPAPYGQALX-VRPWFDPXSA-N AC$INSTRUMENT: API3000, Applied Biosystems AC$INSTRUMENT_TYPE: LC-ESI-QQ diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO000750.txt b/Keio_Univ/MSBNK-Keio_Univ-KO000750.txt index 6d4ff6a24c8..1f6fa3b4ae5 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO000750.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO000750.txt @@ -15,7 +15,7 @@ CH$LINK: CAS 488-69-7 CH$LINK: CHEBI CHEBI:16905 CH$LINK: KEGG C00354 CH$LINK: NIKKAJI J15.941G -CH$LINK: PUBCHEM SID:3647 +CH$LINK: PUBCHEM CID:172313 CH$LINK: INCHIKEY RNBGYGVWRKECFJ-VRPWFDPXSA-N AC$INSTRUMENT: API3000, Applied Biosystems AC$INSTRUMENT_TYPE: LC-ESI-QQ diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO000751.txt b/Keio_Univ/MSBNK-Keio_Univ-KO000751.txt index b154e74a5e3..ad683a32794 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO000751.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO000751.txt @@ -15,7 +15,7 @@ CH$LINK: CAS 488-69-7 CH$LINK: CHEBI CHEBI:16905 CH$LINK: KEGG C00354 CH$LINK: NIKKAJI J15.941G -CH$LINK: PUBCHEM SID:3647 +CH$LINK: PUBCHEM CID:172313 CH$LINK: INCHIKEY RNBGYGVWRKECFJ-VRPWFDPXSA-N AC$INSTRUMENT: API3000, Applied Biosystems AC$INSTRUMENT_TYPE: LC-ESI-QQ diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO000752.txt b/Keio_Univ/MSBNK-Keio_Univ-KO000752.txt index 00c27aadfe4..7abdbeb6545 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO000752.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO000752.txt @@ -15,7 +15,7 @@ CH$LINK: CAS 488-69-7 CH$LINK: CHEBI CHEBI:16905 CH$LINK: KEGG C00354 CH$LINK: NIKKAJI J15.941G -CH$LINK: PUBCHEM SID:3647 +CH$LINK: PUBCHEM CID:172313 CH$LINK: INCHIKEY RNBGYGVWRKECFJ-VRPWFDPXSA-N AC$INSTRUMENT: API3000, Applied Biosystems AC$INSTRUMENT_TYPE: LC-ESI-QQ diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO000753.txt b/Keio_Univ/MSBNK-Keio_Univ-KO000753.txt index f9901d99c78..d042aabe98c 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO000753.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO000753.txt @@ -15,7 +15,7 @@ CH$LINK: CAS 488-69-7 CH$LINK: CHEBI CHEBI:16905 CH$LINK: KEGG C00354 CH$LINK: NIKKAJI J15.941G -CH$LINK: PUBCHEM SID:3647 +CH$LINK: PUBCHEM CID:172313 CH$LINK: INCHIKEY RNBGYGVWRKECFJ-VRPWFDPXSA-N AC$INSTRUMENT: API3000, Applied Biosystems AC$INSTRUMENT_TYPE: LC-ESI-QQ diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO000755.txt b/Keio_Univ/MSBNK-Keio_Univ-KO000755.txt index c8bb2ea910a..e5e6d19e6ce 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO000755.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO000755.txt @@ -15,7 +15,7 @@ CH$LINK: CAS 15978-08-2 CH$LINK: CHEBI CHEBI:18105 CH$LINK: KEGG C01094 CH$LINK: NIKKAJI J219.923H -CH$LINK: PUBCHEM SID:4329 +CH$LINK: PUBCHEM CID:439394 CH$LINK: INCHIKEY RHKKZBWRNHGJEZ-VRPWFDPXSA-N AC$INSTRUMENT: API3000, Applied Biosystems AC$INSTRUMENT_TYPE: LC-ESI-QQ diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO000756.txt b/Keio_Univ/MSBNK-Keio_Univ-KO000756.txt index 789d801bb53..fb7c443d6a1 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO000756.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO000756.txt @@ -15,7 +15,7 @@ CH$LINK: CAS 15978-08-2 CH$LINK: CHEBI CHEBI:18105 CH$LINK: KEGG C01094 CH$LINK: NIKKAJI J219.923H -CH$LINK: PUBCHEM SID:4329 +CH$LINK: PUBCHEM CID:439394 CH$LINK: INCHIKEY RHKKZBWRNHGJEZ-VRPWFDPXSA-N AC$INSTRUMENT: API3000, Applied Biosystems AC$INSTRUMENT_TYPE: LC-ESI-QQ diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO000757.txt b/Keio_Univ/MSBNK-Keio_Univ-KO000757.txt index 93c054ab4e4..34cba6a69c6 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO000757.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO000757.txt @@ -15,7 +15,7 @@ CH$LINK: CAS 15978-08-2 CH$LINK: CHEBI CHEBI:18105 CH$LINK: KEGG C01094 CH$LINK: NIKKAJI J219.923H -CH$LINK: PUBCHEM SID:4329 +CH$LINK: PUBCHEM CID:439394 CH$LINK: INCHIKEY RHKKZBWRNHGJEZ-VRPWFDPXSA-N AC$INSTRUMENT: API3000, Applied Biosystems AC$INSTRUMENT_TYPE: LC-ESI-QQ diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO000758.txt b/Keio_Univ/MSBNK-Keio_Univ-KO000758.txt index 19861e302ce..43c97fdaef4 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO000758.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO000758.txt @@ -15,7 +15,7 @@ CH$LINK: CAS 15978-08-2 CH$LINK: CHEBI CHEBI:18105 CH$LINK: KEGG C01094 CH$LINK: NIKKAJI J219.923H -CH$LINK: PUBCHEM SID:4329 +CH$LINK: PUBCHEM CID:439394 CH$LINK: INCHIKEY RHKKZBWRNHGJEZ-VRPWFDPXSA-N AC$INSTRUMENT: API3000, Applied Biosystems AC$INSTRUMENT_TYPE: LC-ESI-QQ diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO000759.txt b/Keio_Univ/MSBNK-Keio_Univ-KO000759.txt index 0127464cede..46a173e8fd2 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO000759.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO000759.txt @@ -14,7 +14,7 @@ CH$SMILES: OCC(O1)(C(O)C(O)C(COP(O)(O)=O)1)OP(O)(O)=O CH$IUPAC: InChI=1S/C6H14O12P2/c7-2-6(18-20(13,14)15)5(9)4(8)3(17-6)1-16-19(10,11)12/h3-5,7-9H,1-2H2,(H2,10,11,12)(H2,13,14,15)/t3-,4-,5+,6+/m1/s1 CH$LINK: CHEBI CHEBI:28602 CH$LINK: KEGG C00665 -CH$LINK: PUBCHEM SID:3934 +CH$LINK: PUBCHEM CID:105021 CH$LINK: INCHIKEY YXWOAJXNVLXPMU-ZXXMMSQZSA-N CH$LINK: COMPTOX DTXSID90897603 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO000760.txt b/Keio_Univ/MSBNK-Keio_Univ-KO000760.txt index f010a43e807..044ced1856b 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO000760.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO000760.txt @@ -14,7 +14,7 @@ CH$SMILES: OCC(O1)(C(O)C(O)C(COP(O)(O)=O)1)OP(O)(O)=O CH$IUPAC: InChI=1S/C6H14O12P2/c7-2-6(18-20(13,14)15)5(9)4(8)3(17-6)1-16-19(10,11)12/h3-5,7-9H,1-2H2,(H2,10,11,12)(H2,13,14,15)/t3-,4-,5+,6+/m1/s1 CH$LINK: CHEBI CHEBI:28602 CH$LINK: KEGG C00665 -CH$LINK: PUBCHEM SID:3934 +CH$LINK: PUBCHEM CID:105021 CH$LINK: INCHIKEY YXWOAJXNVLXPMU-ZXXMMSQZSA-N CH$LINK: COMPTOX DTXSID90897603 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO000761.txt b/Keio_Univ/MSBNK-Keio_Univ-KO000761.txt index a9924a9ff63..bdb9095f505 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO000761.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO000761.txt @@ -14,7 +14,7 @@ CH$SMILES: OCC(O1)(C(O)C(O)C(COP(O)(O)=O)1)OP(O)(O)=O CH$IUPAC: InChI=1S/C6H14O12P2/c7-2-6(18-20(13,14)15)5(9)4(8)3(17-6)1-16-19(10,11)12/h3-5,7-9H,1-2H2,(H2,10,11,12)(H2,13,14,15)/t3-,4-,5+,6+/m1/s1 CH$LINK: CHEBI CHEBI:28602 CH$LINK: KEGG C00665 -CH$LINK: PUBCHEM SID:3934 +CH$LINK: PUBCHEM CID:105021 CH$LINK: INCHIKEY YXWOAJXNVLXPMU-ZXXMMSQZSA-N CH$LINK: COMPTOX DTXSID90897603 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO000762.txt b/Keio_Univ/MSBNK-Keio_Univ-KO000762.txt index 1804f458a9e..3fc2d6ad7f0 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO000762.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO000762.txt @@ -14,7 +14,7 @@ CH$SMILES: OCC(O1)(C(O)C(O)C(COP(O)(O)=O)1)OP(O)(O)=O CH$IUPAC: InChI=1S/C6H14O12P2/c7-2-6(18-20(13,14)15)5(9)4(8)3(17-6)1-16-19(10,11)12/h3-5,7-9H,1-2H2,(H2,10,11,12)(H2,13,14,15)/t3-,4-,5+,6+/m1/s1 CH$LINK: CHEBI CHEBI:28602 CH$LINK: KEGG C00665 -CH$LINK: PUBCHEM SID:3934 +CH$LINK: PUBCHEM CID:105021 CH$LINK: INCHIKEY YXWOAJXNVLXPMU-ZXXMMSQZSA-N CH$LINK: COMPTOX DTXSID90897603 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO000763.txt b/Keio_Univ/MSBNK-Keio_Univ-KO000763.txt index 286ea0c28cf..66ffb4b13ce 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO000763.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO000763.txt @@ -14,7 +14,7 @@ CH$SMILES: OCC(O1)(C(O)C(O)C(COP(O)(O)=O)1)OP(O)(O)=O CH$IUPAC: InChI=1S/C6H14O12P2/c7-2-6(18-20(13,14)15)5(9)4(8)3(17-6)1-16-19(10,11)12/h3-5,7-9H,1-2H2,(H2,10,11,12)(H2,13,14,15)/t3-,4-,5+,6+/m1/s1 CH$LINK: CHEBI CHEBI:28602 CH$LINK: KEGG C00665 -CH$LINK: PUBCHEM SID:3934 +CH$LINK: PUBCHEM CID:105021 CH$LINK: INCHIKEY YXWOAJXNVLXPMU-ZXXMMSQZSA-N CH$LINK: COMPTOX DTXSID90897603 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO000764.txt b/Keio_Univ/MSBNK-Keio_Univ-KO000764.txt index a4783ead345..c47c8a29987 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO000764.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO000764.txt @@ -15,7 +15,7 @@ CH$IUPAC: InChI=1S/C10H9N5O/c1-2-7(16-3-1)4-11-9-8-10(13-5-12-8)15-6-14-9/h1-3,5 CH$LINK: CAS 525-79-1 CH$LINK: KEGG C08272 CH$LINK: NIKKAJI J6.656G -CH$LINK: PUBCHEM SID:10471 +CH$LINK: PUBCHEM CID:3830 CH$LINK: INCHIKEY QANMHLXAZMSUEX-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID9035175 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO000765.txt b/Keio_Univ/MSBNK-Keio_Univ-KO000765.txt index a2ec227a57d..01064221ebf 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO000765.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO000765.txt @@ -15,7 +15,7 @@ CH$IUPAC: InChI=1S/C10H9N5O/c1-2-7(16-3-1)4-11-9-8-10(13-5-12-8)15-6-14-9/h1-3,5 CH$LINK: CAS 525-79-1 CH$LINK: KEGG C08272 CH$LINK: NIKKAJI J6.656G -CH$LINK: PUBCHEM SID:10471 +CH$LINK: PUBCHEM CID:3830 CH$LINK: INCHIKEY QANMHLXAZMSUEX-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID9035175 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO000766.txt b/Keio_Univ/MSBNK-Keio_Univ-KO000766.txt index 7751914b798..edb890f3c35 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO000766.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO000766.txt @@ -15,7 +15,7 @@ CH$IUPAC: InChI=1S/C10H9N5O/c1-2-7(16-3-1)4-11-9-8-10(13-5-12-8)15-6-14-9/h1-3,5 CH$LINK: CAS 525-79-1 CH$LINK: KEGG C08272 CH$LINK: NIKKAJI J6.656G -CH$LINK: PUBCHEM SID:10471 +CH$LINK: PUBCHEM CID:3830 CH$LINK: INCHIKEY QANMHLXAZMSUEX-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID9035175 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO000767.txt b/Keio_Univ/MSBNK-Keio_Univ-KO000767.txt index 7ac03879a88..837ed402568 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO000767.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO000767.txt @@ -15,7 +15,7 @@ CH$IUPAC: InChI=1S/C10H9N5O/c1-2-7(16-3-1)4-11-9-8-10(13-5-12-8)15-6-14-9/h1-3,5 CH$LINK: CAS 525-79-1 CH$LINK: KEGG C08272 CH$LINK: NIKKAJI J6.656G -CH$LINK: PUBCHEM SID:10471 +CH$LINK: PUBCHEM CID:3830 CH$LINK: INCHIKEY QANMHLXAZMSUEX-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID9035175 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO000768.txt b/Keio_Univ/MSBNK-Keio_Univ-KO000768.txt index a24bc756311..131510dc43f 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO000768.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO000768.txt @@ -15,7 +15,7 @@ CH$IUPAC: InChI=1S/C10H9N5O/c1-2-7(16-3-1)4-11-9-8-10(13-5-12-8)15-6-14-9/h1-3,5 CH$LINK: CAS 525-79-1 CH$LINK: KEGG C08272 CH$LINK: NIKKAJI J6.656G -CH$LINK: PUBCHEM SID:10471 +CH$LINK: PUBCHEM CID:3830 CH$LINK: INCHIKEY QANMHLXAZMSUEX-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID9035175 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO000769.txt b/Keio_Univ/MSBNK-Keio_Univ-KO000769.txt index b4e41aabc85..237e0931613 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO000769.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO000769.txt @@ -17,7 +17,7 @@ CH$LINK: CAS 88-14-2 CH$LINK: CHEBI CHEBI:30845 CH$LINK: KEGG C01546 CH$LINK: NIKKAJI J4.288I -CH$LINK: PUBCHEM SID:4705 +CH$LINK: PUBCHEM CID:6919 CH$LINK: INCHIKEY SMNDYUVBFMFKNZ-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID6041420 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO000770.txt b/Keio_Univ/MSBNK-Keio_Univ-KO000770.txt index 71e0488c6f6..464a775ed6d 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO000770.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO000770.txt @@ -17,7 +17,7 @@ CH$LINK: CAS 88-14-2 CH$LINK: CHEBI CHEBI:30845 CH$LINK: KEGG C01546 CH$LINK: NIKKAJI J4.288I -CH$LINK: PUBCHEM SID:4705 +CH$LINK: PUBCHEM CID:6919 CH$LINK: INCHIKEY SMNDYUVBFMFKNZ-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID6041420 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO000771.txt b/Keio_Univ/MSBNK-Keio_Univ-KO000771.txt index 470733da245..2e51576d670 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO000771.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO000771.txt @@ -17,7 +17,7 @@ CH$LINK: CAS 88-14-2 CH$LINK: CHEBI CHEBI:30845 CH$LINK: KEGG C01546 CH$LINK: NIKKAJI J4.288I -CH$LINK: PUBCHEM SID:4705 +CH$LINK: PUBCHEM CID:6919 CH$LINK: INCHIKEY SMNDYUVBFMFKNZ-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID6041420 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO000772.txt b/Keio_Univ/MSBNK-Keio_Univ-KO000772.txt index 20b275375ae..888122ba0c5 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO000772.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO000772.txt @@ -17,7 +17,7 @@ CH$LINK: CAS 88-14-2 CH$LINK: CHEBI CHEBI:30845 CH$LINK: KEGG C01546 CH$LINK: NIKKAJI J4.288I -CH$LINK: PUBCHEM SID:4705 +CH$LINK: PUBCHEM CID:6919 CH$LINK: INCHIKEY SMNDYUVBFMFKNZ-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID6041420 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO000773.txt b/Keio_Univ/MSBNK-Keio_Univ-KO000773.txt index 43aabea9a32..0c39ea487f5 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO000773.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO000773.txt @@ -17,7 +17,7 @@ CH$LINK: CAS 88-14-2 CH$LINK: CHEBI CHEBI:30845 CH$LINK: KEGG C01546 CH$LINK: NIKKAJI J4.288I -CH$LINK: PUBCHEM SID:4705 +CH$LINK: PUBCHEM CID:6919 CH$LINK: INCHIKEY SMNDYUVBFMFKNZ-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID6041420 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO000774.txt b/Keio_Univ/MSBNK-Keio_Univ-KO000774.txt index 5aa221c4f97..908f5f00641 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO000774.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO000774.txt @@ -16,7 +16,7 @@ CH$LINK: CAS 19427-28-2 CH$LINK: CHEBI CHEBI:16923 CH$LINK: KEGG C01044 CH$LINK: NIKKAJI J242.809A -CH$LINK: PUBCHEM SID:4286 +CH$LINK: PUBCHEM CID:88052 CH$LINK: INCHIKEY MQUUQXIFCBBFDP-VKHMYHEASA-N CH$LINK: COMPTOX DTXSID30941154 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO000775.txt b/Keio_Univ/MSBNK-Keio_Univ-KO000775.txt index 916c4a46471..04666af9d3e 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO000775.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO000775.txt @@ -16,7 +16,7 @@ CH$LINK: CAS 19427-28-2 CH$LINK: CHEBI CHEBI:16923 CH$LINK: KEGG C01044 CH$LINK: NIKKAJI J242.809A -CH$LINK: PUBCHEM SID:4286 +CH$LINK: PUBCHEM CID:88052 CH$LINK: INCHIKEY MQUUQXIFCBBFDP-VKHMYHEASA-N CH$LINK: COMPTOX DTXSID30941154 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO000776.txt b/Keio_Univ/MSBNK-Keio_Univ-KO000776.txt index f7012735d0a..c2af73ea64f 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO000776.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO000776.txt @@ -16,7 +16,7 @@ CH$LINK: CAS 19427-28-2 CH$LINK: CHEBI CHEBI:16923 CH$LINK: KEGG C01044 CH$LINK: NIKKAJI J242.809A -CH$LINK: PUBCHEM SID:4286 +CH$LINK: PUBCHEM CID:88052 CH$LINK: INCHIKEY MQUUQXIFCBBFDP-VKHMYHEASA-N CH$LINK: COMPTOX DTXSID30941154 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO000777.txt b/Keio_Univ/MSBNK-Keio_Univ-KO000777.txt index 81165d13c59..940e39aff43 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO000777.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO000777.txt @@ -16,7 +16,7 @@ CH$LINK: CAS 19427-28-2 CH$LINK: CHEBI CHEBI:16923 CH$LINK: KEGG C01044 CH$LINK: NIKKAJI J242.809A -CH$LINK: PUBCHEM SID:4286 +CH$LINK: PUBCHEM CID:88052 CH$LINK: INCHIKEY MQUUQXIFCBBFDP-VKHMYHEASA-N CH$LINK: COMPTOX DTXSID30941154 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO000778.txt b/Keio_Univ/MSBNK-Keio_Univ-KO000778.txt index fcd7043abb0..10f1037ded0 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO000778.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO000778.txt @@ -16,7 +16,7 @@ CH$LINK: CAS 19427-28-2 CH$LINK: CHEBI CHEBI:16923 CH$LINK: KEGG C01044 CH$LINK: NIKKAJI J242.809A -CH$LINK: PUBCHEM SID:4286 +CH$LINK: PUBCHEM CID:88052 CH$LINK: INCHIKEY MQUUQXIFCBBFDP-VKHMYHEASA-N CH$LINK: COMPTOX DTXSID30941154 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO000779.txt b/Keio_Univ/MSBNK-Keio_Univ-KO000779.txt index e0045927e51..e62b7a96de0 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO000779.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO000779.txt @@ -14,7 +14,7 @@ CH$IUPAC: InChI=1S/C7H5FO2/c8-6-3-1-5(2-4-6)7(9)10/h1-4H,(H,9,10) CH$LINK: CAS 456-22-4 CH$LINK: KEGG C02371 CH$LINK: NIKKAJI J43.545G -CH$LINK: PUBCHEM SID:5413 +CH$LINK: PUBCHEM CID:9973 CH$LINK: INCHIKEY BBYDXOIZLAWGSL-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID9060023 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO000780.txt b/Keio_Univ/MSBNK-Keio_Univ-KO000780.txt index 0a3e3934f48..efda3a85253 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO000780.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO000780.txt @@ -14,7 +14,7 @@ CH$IUPAC: InChI=1S/C7H5FO2/c8-6-3-1-5(2-4-6)7(9)10/h1-4H,(H,9,10) CH$LINK: CAS 456-22-4 CH$LINK: KEGG C02371 CH$LINK: NIKKAJI J43.545G -CH$LINK: PUBCHEM SID:5413 +CH$LINK: PUBCHEM CID:9973 CH$LINK: INCHIKEY BBYDXOIZLAWGSL-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID9060023 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO000781.txt b/Keio_Univ/MSBNK-Keio_Univ-KO000781.txt index e748b1cbb2a..9646abe23b7 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO000781.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO000781.txt @@ -14,7 +14,7 @@ CH$IUPAC: InChI=1S/C7H5FO2/c8-6-3-1-5(2-4-6)7(9)10/h1-4H,(H,9,10) CH$LINK: CAS 456-22-4 CH$LINK: KEGG C02371 CH$LINK: NIKKAJI J43.545G -CH$LINK: PUBCHEM SID:5413 +CH$LINK: PUBCHEM CID:9973 CH$LINK: INCHIKEY BBYDXOIZLAWGSL-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID9060023 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO000782.txt b/Keio_Univ/MSBNK-Keio_Univ-KO000782.txt index 9a6830734c9..2cfd0758ceb 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO000782.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO000782.txt @@ -14,7 +14,7 @@ CH$IUPAC: InChI=1S/C7H5FO2/c8-6-3-1-5(2-4-6)7(9)10/h1-4H,(H,9,10) CH$LINK: CAS 456-22-4 CH$LINK: KEGG C02371 CH$LINK: NIKKAJI J43.545G -CH$LINK: PUBCHEM SID:5413 +CH$LINK: PUBCHEM CID:9973 CH$LINK: INCHIKEY BBYDXOIZLAWGSL-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID9060023 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO000783.txt b/Keio_Univ/MSBNK-Keio_Univ-KO000783.txt index 003a50b1301..d37a87006ad 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO000783.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO000783.txt @@ -14,7 +14,7 @@ CH$IUPAC: InChI=1S/C7H5FO2/c8-6-3-1-5(2-4-6)7(9)10/h1-4H,(H,9,10) CH$LINK: CAS 456-22-4 CH$LINK: KEGG C02371 CH$LINK: NIKKAJI J43.545G -CH$LINK: PUBCHEM SID:5413 +CH$LINK: PUBCHEM CID:9973 CH$LINK: INCHIKEY BBYDXOIZLAWGSL-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID9060023 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO000784.txt b/Keio_Univ/MSBNK-Keio_Univ-KO000784.txt index a1aba4ee694..80586146d8a 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO000784.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO000784.txt @@ -16,7 +16,7 @@ CH$IUPAC: InChI=1S/C7H5FO2/c8-6-4-2-1-3-5(6)7(9)10/h1-4H,(H,9,10) CH$LINK: CAS 445-29-4 CH$LINK: KEGG C02359 CH$LINK: NIKKAJI J26.901H -CH$LINK: PUBCHEM SID:5405 +CH$LINK: PUBCHEM CID:9935 CH$LINK: INCHIKEY NSTREUWFTAOOKS-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID1060001 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO000785.txt b/Keio_Univ/MSBNK-Keio_Univ-KO000785.txt index 653d760709a..bc99edb270d 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO000785.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO000785.txt @@ -16,7 +16,7 @@ CH$IUPAC: InChI=1S/C7H5FO2/c8-6-4-2-1-3-5(6)7(9)10/h1-4H,(H,9,10) CH$LINK: CAS 445-29-4 CH$LINK: KEGG C02359 CH$LINK: NIKKAJI J26.901H -CH$LINK: PUBCHEM SID:5405 +CH$LINK: PUBCHEM CID:9935 CH$LINK: INCHIKEY NSTREUWFTAOOKS-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID1060001 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO000786.txt b/Keio_Univ/MSBNK-Keio_Univ-KO000786.txt index 20abb075cfa..de0e72d4c26 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO000786.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO000786.txt @@ -16,7 +16,7 @@ CH$IUPAC: InChI=1S/C7H5FO2/c8-6-4-2-1-3-5(6)7(9)10/h1-4H,(H,9,10) CH$LINK: CAS 445-29-4 CH$LINK: KEGG C02359 CH$LINK: NIKKAJI J26.901H -CH$LINK: PUBCHEM SID:5405 +CH$LINK: PUBCHEM CID:9935 CH$LINK: INCHIKEY NSTREUWFTAOOKS-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID1060001 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO000787.txt b/Keio_Univ/MSBNK-Keio_Univ-KO000787.txt index 78f126e3fd4..03ac53777bd 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO000787.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO000787.txt @@ -16,7 +16,7 @@ CH$IUPAC: InChI=1S/C7H5FO2/c8-6-4-2-1-3-5(6)7(9)10/h1-4H,(H,9,10) CH$LINK: CAS 445-29-4 CH$LINK: KEGG C02359 CH$LINK: NIKKAJI J26.901H -CH$LINK: PUBCHEM SID:5405 +CH$LINK: PUBCHEM CID:9935 CH$LINK: INCHIKEY NSTREUWFTAOOKS-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID1060001 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO000788.txt b/Keio_Univ/MSBNK-Keio_Univ-KO000788.txt index b5b88fe3da8..7e7d8c579d2 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO000788.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO000788.txt @@ -16,7 +16,7 @@ CH$IUPAC: InChI=1S/C7H5FO2/c8-6-4-2-1-3-5(6)7(9)10/h1-4H,(H,9,10) CH$LINK: CAS 445-29-4 CH$LINK: KEGG C02359 CH$LINK: NIKKAJI J26.901H -CH$LINK: PUBCHEM SID:5405 +CH$LINK: PUBCHEM CID:9935 CH$LINK: INCHIKEY NSTREUWFTAOOKS-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID1060001 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO000789.txt b/Keio_Univ/MSBNK-Keio_Univ-KO000789.txt index 375a72d4142..29650f286bc 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO000789.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO000789.txt @@ -15,7 +15,7 @@ CH$SMILES: N=CN[C@@H](CC(O)=O)C(O)=O CH$IUPAC: InChI=1S/C5H8N2O4/c6-2-7-3(5(10)11)1-4(8)9/h2-3H,1H2,(H2,6,7)(H,8,9)(H,10,11)/t3-/m0/s1 CH$LINK: CHEBI CHEBI:18387 CH$LINK: KEGG C03409 -CH$LINK: PUBCHEM SID:6238 +CH$LINK: PUBCHEM CID:440000 CH$LINK: INCHIKEY XTPIFIMCFHNJOH-VKHMYHEASA-N AC$INSTRUMENT: API3000, Applied Biosystems AC$INSTRUMENT_TYPE: LC-ESI-QQ diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO000790.txt b/Keio_Univ/MSBNK-Keio_Univ-KO000790.txt index 40ea8658e49..bcc58b5cb04 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO000790.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO000790.txt @@ -15,7 +15,7 @@ CH$SMILES: N=CN[C@@H](CC(O)=O)C(O)=O CH$IUPAC: InChI=1S/C5H8N2O4/c6-2-7-3(5(10)11)1-4(8)9/h2-3H,1H2,(H2,6,7)(H,8,9)(H,10,11)/t3-/m0/s1 CH$LINK: CHEBI CHEBI:18387 CH$LINK: KEGG C03409 -CH$LINK: PUBCHEM SID:6238 +CH$LINK: PUBCHEM CID:440000 CH$LINK: INCHIKEY XTPIFIMCFHNJOH-VKHMYHEASA-N AC$INSTRUMENT: API3000, Applied Biosystems AC$INSTRUMENT_TYPE: LC-ESI-QQ diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO000791.txt b/Keio_Univ/MSBNK-Keio_Univ-KO000791.txt index 23b37a022d5..14addd19caf 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO000791.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO000791.txt @@ -15,7 +15,7 @@ CH$SMILES: N=CN[C@@H](CC(O)=O)C(O)=O CH$IUPAC: InChI=1S/C5H8N2O4/c6-2-7-3(5(10)11)1-4(8)9/h2-3H,1H2,(H2,6,7)(H,8,9)(H,10,11)/t3-/m0/s1 CH$LINK: CHEBI CHEBI:18387 CH$LINK: KEGG C03409 -CH$LINK: PUBCHEM SID:6238 +CH$LINK: PUBCHEM CID:440000 CH$LINK: INCHIKEY XTPIFIMCFHNJOH-VKHMYHEASA-N AC$INSTRUMENT: API3000, Applied Biosystems AC$INSTRUMENT_TYPE: LC-ESI-QQ diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO000792.txt b/Keio_Univ/MSBNK-Keio_Univ-KO000792.txt index 8e83c569bce..a92fe906f6f 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO000792.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO000792.txt @@ -15,7 +15,7 @@ CH$SMILES: N=CN[C@@H](CC(O)=O)C(O)=O CH$IUPAC: InChI=1S/C5H8N2O4/c6-2-7-3(5(10)11)1-4(8)9/h2-3H,1H2,(H2,6,7)(H,8,9)(H,10,11)/t3-/m0/s1 CH$LINK: CHEBI CHEBI:18387 CH$LINK: KEGG C03409 -CH$LINK: PUBCHEM SID:6238 +CH$LINK: PUBCHEM CID:440000 CH$LINK: INCHIKEY XTPIFIMCFHNJOH-VKHMYHEASA-N AC$INSTRUMENT: API3000, Applied Biosystems AC$INSTRUMENT_TYPE: LC-ESI-QQ diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO000793.txt b/Keio_Univ/MSBNK-Keio_Univ-KO000793.txt index 81975098fd3..83586423215 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO000793.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO000793.txt @@ -15,7 +15,7 @@ CH$SMILES: N=CN[C@@H](CC(O)=O)C(O)=O CH$IUPAC: InChI=1S/C5H8N2O4/c6-2-7-3(5(10)11)1-4(8)9/h2-3H,1H2,(H2,6,7)(H,8,9)(H,10,11)/t3-/m0/s1 CH$LINK: CHEBI CHEBI:18387 CH$LINK: KEGG C03409 -CH$LINK: PUBCHEM SID:6238 +CH$LINK: PUBCHEM CID:440000 CH$LINK: INCHIKEY XTPIFIMCFHNJOH-VKHMYHEASA-N AC$INSTRUMENT: API3000, Applied Biosystems AC$INSTRUMENT_TYPE: LC-ESI-QQ diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO000794.txt b/Keio_Univ/MSBNK-Keio_Univ-KO000794.txt index 30bb327f537..6121bb748e1 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO000794.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO000794.txt @@ -14,7 +14,7 @@ CH$IUPAC: InChI=1S/C7H5FO2/c8-6-3-1-2-5(4-6)7(9)10/h1-4H,(H,9,10) CH$LINK: CAS 455-38-9 CH$LINK: KEGG C02364 CH$LINK: NIKKAJI J47.806G -CH$LINK: PUBCHEM SID:5409 +CH$LINK: PUBCHEM CID:9968 CH$LINK: INCHIKEY MXNBDFWNYRNIBH-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID4060020 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO000795.txt b/Keio_Univ/MSBNK-Keio_Univ-KO000795.txt index 1b47dc1b5d9..e13bb09abdd 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO000795.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO000795.txt @@ -14,7 +14,7 @@ CH$IUPAC: InChI=1S/C7H5FO2/c8-6-3-1-2-5(4-6)7(9)10/h1-4H,(H,9,10) CH$LINK: CAS 455-38-9 CH$LINK: KEGG C02364 CH$LINK: NIKKAJI J47.806G -CH$LINK: PUBCHEM SID:5409 +CH$LINK: PUBCHEM CID:9968 CH$LINK: INCHIKEY MXNBDFWNYRNIBH-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID4060020 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO000796.txt b/Keio_Univ/MSBNK-Keio_Univ-KO000796.txt index 3f0b15a3d39..e016618b2c5 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO000796.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO000796.txt @@ -14,7 +14,7 @@ CH$IUPAC: InChI=1S/C7H5FO2/c8-6-3-1-2-5(4-6)7(9)10/h1-4H,(H,9,10) CH$LINK: CAS 455-38-9 CH$LINK: KEGG C02364 CH$LINK: NIKKAJI J47.806G -CH$LINK: PUBCHEM SID:5409 +CH$LINK: PUBCHEM CID:9968 CH$LINK: INCHIKEY MXNBDFWNYRNIBH-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID4060020 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO000797.txt b/Keio_Univ/MSBNK-Keio_Univ-KO000797.txt index 79f2a82f6ab..e4c417dc5dd 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO000797.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO000797.txt @@ -14,7 +14,7 @@ CH$IUPAC: InChI=1S/C7H5FO2/c8-6-3-1-2-5(4-6)7(9)10/h1-4H,(H,9,10) CH$LINK: CAS 455-38-9 CH$LINK: KEGG C02364 CH$LINK: NIKKAJI J47.806G -CH$LINK: PUBCHEM SID:5409 +CH$LINK: PUBCHEM CID:9968 CH$LINK: INCHIKEY MXNBDFWNYRNIBH-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID4060020 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO000798.txt b/Keio_Univ/MSBNK-Keio_Univ-KO000798.txt index dd4d311f477..bf4101786b0 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO000798.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO000798.txt @@ -14,7 +14,7 @@ CH$IUPAC: InChI=1S/C7H5FO2/c8-6-3-1-2-5(4-6)7(9)10/h1-4H,(H,9,10) CH$LINK: CAS 455-38-9 CH$LINK: KEGG C02364 CH$LINK: NIKKAJI J47.806G -CH$LINK: PUBCHEM SID:5409 +CH$LINK: PUBCHEM CID:9968 CH$LINK: INCHIKEY MXNBDFWNYRNIBH-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID4060020 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO000804.txt b/Keio_Univ/MSBNK-Keio_Univ-KO000804.txt index 10aa2a4ced8..03bdf4e05ca 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO000804.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO000804.txt @@ -17,7 +17,7 @@ CH$LINK: CAS 50-99-7 CH$LINK: CHEBI CHEBI:17634 CH$LINK: KEGG C00031 CH$LINK: NIKKAJI J4.109B -CH$LINK: PUBCHEM SID:3333 +CH$LINK: PUBCHEM CID:5793 CH$LINK: INCHIKEY WQZGKKKJIJFFOK-GASJEMHNSA-N AC$INSTRUMENT: API3000, Applied Biosystems AC$INSTRUMENT_TYPE: LC-ESI-QQ diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO000805.txt b/Keio_Univ/MSBNK-Keio_Univ-KO000805.txt index d18c203dfbd..0929df72775 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO000805.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO000805.txt @@ -17,7 +17,7 @@ CH$LINK: CAS 50-99-7 CH$LINK: CHEBI CHEBI:17634 CH$LINK: KEGG C00031 CH$LINK: NIKKAJI J4.109B -CH$LINK: PUBCHEM SID:3333 +CH$LINK: PUBCHEM CID:5793 CH$LINK: INCHIKEY WQZGKKKJIJFFOK-GASJEMHNSA-N AC$INSTRUMENT: API3000, Applied Biosystems AC$INSTRUMENT_TYPE: LC-ESI-QQ diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO000806.txt b/Keio_Univ/MSBNK-Keio_Univ-KO000806.txt index fc00a862d1e..5581fd17e8d 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO000806.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO000806.txt @@ -17,7 +17,7 @@ CH$LINK: CAS 50-99-7 CH$LINK: CHEBI CHEBI:17634 CH$LINK: KEGG C00031 CH$LINK: NIKKAJI J4.109B -CH$LINK: PUBCHEM SID:3333 +CH$LINK: PUBCHEM CID:5793 CH$LINK: INCHIKEY WQZGKKKJIJFFOK-GASJEMHNSA-N AC$INSTRUMENT: API3000, Applied Biosystems AC$INSTRUMENT_TYPE: LC-ESI-QQ diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO000807.txt b/Keio_Univ/MSBNK-Keio_Univ-KO000807.txt index a478fed5e3a..f9da1a85fa8 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO000807.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO000807.txt @@ -17,7 +17,7 @@ CH$LINK: CAS 50-99-7 CH$LINK: CHEBI CHEBI:17634 CH$LINK: KEGG C00031 CH$LINK: NIKKAJI J4.109B -CH$LINK: PUBCHEM SID:3333 +CH$LINK: PUBCHEM CID:5793 CH$LINK: INCHIKEY WQZGKKKJIJFFOK-GASJEMHNSA-N AC$INSTRUMENT: API3000, Applied Biosystems AC$INSTRUMENT_TYPE: LC-ESI-QQ diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO000808.txt b/Keio_Univ/MSBNK-Keio_Univ-KO000808.txt index 8a882d57ae9..2c3c16d74cb 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO000808.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO000808.txt @@ -17,7 +17,7 @@ CH$LINK: CAS 50-99-7 CH$LINK: CHEBI CHEBI:17634 CH$LINK: KEGG C00031 CH$LINK: NIKKAJI J4.109B -CH$LINK: PUBCHEM SID:3333 +CH$LINK: PUBCHEM CID:5793 CH$LINK: INCHIKEY WQZGKKKJIJFFOK-GASJEMHNSA-N AC$INSTRUMENT: API3000, Applied Biosystems AC$INSTRUMENT_TYPE: LC-ESI-QQ diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO000809.txt b/Keio_Univ/MSBNK-Keio_Univ-KO000809.txt index 358304fd923..3be26601e34 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO000809.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO000809.txt @@ -16,7 +16,7 @@ CH$LINK: CAS 56-73-5 CH$LINK: CHEBI CHEBI:15954 CH$LINK: KEGG C00092 CH$LINK: NIKKAJI J40.066A J166.116G -CH$LINK: PUBCHEM SID:3392 +CH$LINK: PUBCHEM CID:5958 CH$LINK: INCHIKEY NBSCHQHZLSJFNQ-GASJEMHNSA-N AC$INSTRUMENT: API3000, Applied Biosystems AC$INSTRUMENT_TYPE: LC-ESI-QQ diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO000810.txt b/Keio_Univ/MSBNK-Keio_Univ-KO000810.txt index 0c3ddce5ee7..297a297e476 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO000810.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO000810.txt @@ -16,7 +16,7 @@ CH$LINK: CAS 56-73-5 CH$LINK: CHEBI CHEBI:15954 CH$LINK: KEGG C00092 CH$LINK: NIKKAJI J40.066A J166.116G -CH$LINK: PUBCHEM SID:3392 +CH$LINK: PUBCHEM CID:5958 CH$LINK: INCHIKEY NBSCHQHZLSJFNQ-GASJEMHNSA-N AC$INSTRUMENT: API3000, Applied Biosystems AC$INSTRUMENT_TYPE: LC-ESI-QQ diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO000811.txt b/Keio_Univ/MSBNK-Keio_Univ-KO000811.txt index 0e5754a1f7c..47dcbb5f14c 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO000811.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO000811.txt @@ -16,7 +16,7 @@ CH$LINK: CAS 56-73-5 CH$LINK: CHEBI CHEBI:15954 CH$LINK: KEGG C00092 CH$LINK: NIKKAJI J40.066A J166.116G -CH$LINK: PUBCHEM SID:3392 +CH$LINK: PUBCHEM CID:5958 CH$LINK: INCHIKEY NBSCHQHZLSJFNQ-GASJEMHNSA-N AC$INSTRUMENT: API3000, Applied Biosystems AC$INSTRUMENT_TYPE: LC-ESI-QQ diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO000812.txt b/Keio_Univ/MSBNK-Keio_Univ-KO000812.txt index 94f681ba0cb..c05f4a46481 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO000812.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO000812.txt @@ -16,7 +16,7 @@ CH$LINK: CAS 56-73-5 CH$LINK: CHEBI CHEBI:15954 CH$LINK: KEGG C00092 CH$LINK: NIKKAJI J40.066A J166.116G -CH$LINK: PUBCHEM SID:3392 +CH$LINK: PUBCHEM CID:5958 CH$LINK: INCHIKEY NBSCHQHZLSJFNQ-GASJEMHNSA-N AC$INSTRUMENT: API3000, Applied Biosystems AC$INSTRUMENT_TYPE: LC-ESI-QQ diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO000813.txt b/Keio_Univ/MSBNK-Keio_Univ-KO000813.txt index 1ce6b1f3b63..6213687deae 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO000813.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO000813.txt @@ -16,7 +16,7 @@ CH$LINK: CAS 56-73-5 CH$LINK: CHEBI CHEBI:15954 CH$LINK: KEGG C00092 CH$LINK: NIKKAJI J40.066A J166.116G -CH$LINK: PUBCHEM SID:3392 +CH$LINK: PUBCHEM CID:5958 CH$LINK: INCHIKEY NBSCHQHZLSJFNQ-GASJEMHNSA-N AC$INSTRUMENT: API3000, Applied Biosystems AC$INSTRUMENT_TYPE: LC-ESI-QQ diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO000814.txt b/Keio_Univ/MSBNK-Keio_Univ-KO000814.txt index 3aade0e25ac..cdddad5c699 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO000814.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO000814.txt @@ -16,7 +16,7 @@ CH$LINK: CAS 6556-12-3 CH$LINK: CHEBI CHEBI:4178 CH$LINK: KEGG C00191 CH$LINK: NIKKAJI J82.112H -CH$LINK: PUBCHEM SID:3491 +CH$LINK: PUBCHEM CID:94715 CH$LINK: INCHIKEY AEMOLEFTQBMNLQ-AQKNRBDQSA-N CH$LINK: COMPTOX DTXSID50894097 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO000815.txt b/Keio_Univ/MSBNK-Keio_Univ-KO000815.txt index 71691a58c54..ac6a6da27a4 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO000815.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO000815.txt @@ -16,7 +16,7 @@ CH$LINK: CAS 6556-12-3 CH$LINK: CHEBI CHEBI:4178 CH$LINK: KEGG C00191 CH$LINK: NIKKAJI J82.112H -CH$LINK: PUBCHEM SID:3491 +CH$LINK: PUBCHEM CID:94715 CH$LINK: INCHIKEY AEMOLEFTQBMNLQ-AQKNRBDQSA-N CH$LINK: COMPTOX DTXSID50894097 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO000816.txt b/Keio_Univ/MSBNK-Keio_Univ-KO000816.txt index 729f4f4a7f1..ba3ade63589 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO000816.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO000816.txt @@ -16,7 +16,7 @@ CH$LINK: CAS 6556-12-3 CH$LINK: CHEBI CHEBI:4178 CH$LINK: KEGG C00191 CH$LINK: NIKKAJI J82.112H -CH$LINK: PUBCHEM SID:3491 +CH$LINK: PUBCHEM CID:94715 CH$LINK: INCHIKEY AEMOLEFTQBMNLQ-AQKNRBDQSA-N CH$LINK: COMPTOX DTXSID50894097 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO000817.txt b/Keio_Univ/MSBNK-Keio_Univ-KO000817.txt index 6ee8bc83e9d..17c6e2349f9 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO000817.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO000817.txt @@ -16,7 +16,7 @@ CH$LINK: CAS 6556-12-3 CH$LINK: CHEBI CHEBI:4178 CH$LINK: KEGG C00191 CH$LINK: NIKKAJI J82.112H -CH$LINK: PUBCHEM SID:3491 +CH$LINK: PUBCHEM CID:94715 CH$LINK: INCHIKEY AEMOLEFTQBMNLQ-AQKNRBDQSA-N CH$LINK: COMPTOX DTXSID50894097 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO000818.txt b/Keio_Univ/MSBNK-Keio_Univ-KO000818.txt index a0405f7ae22..e4eee861697 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO000818.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO000818.txt @@ -16,7 +16,7 @@ CH$LINK: CAS 6556-12-3 CH$LINK: CHEBI CHEBI:4178 CH$LINK: KEGG C00191 CH$LINK: NIKKAJI J82.112H -CH$LINK: PUBCHEM SID:3491 +CH$LINK: PUBCHEM CID:94715 CH$LINK: INCHIKEY AEMOLEFTQBMNLQ-AQKNRBDQSA-N CH$LINK: COMPTOX DTXSID50894097 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO000819.txt b/Keio_Univ/MSBNK-Keio_Univ-KO000819.txt index 7eaf70ae20e..30adb52260b 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO000819.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO000819.txt @@ -19,7 +19,7 @@ CH$LINK: CHEBI CHEBI:15966 CH$LINK: CHEMPDB DGL CH$LINK: KEGG C00217 CH$LINK: NIKKAJI J9.214B -CH$LINK: PUBCHEM SID:3517 +CH$LINK: PUBCHEM CID:23327 CH$LINK: INCHIKEY WHUUTDBJXJRKMK-GSVOUGTGSA-N CH$LINK: COMPTOX DTXSID1048675 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO000820.txt b/Keio_Univ/MSBNK-Keio_Univ-KO000820.txt index 6f0602dd7ed..164d106f0ef 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO000820.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO000820.txt @@ -19,7 +19,7 @@ CH$LINK: CHEBI CHEBI:15966 CH$LINK: CHEMPDB DGL CH$LINK: KEGG C00217 CH$LINK: NIKKAJI J9.214B -CH$LINK: PUBCHEM SID:3517 +CH$LINK: PUBCHEM CID:23327 CH$LINK: INCHIKEY WHUUTDBJXJRKMK-GSVOUGTGSA-N CH$LINK: COMPTOX DTXSID1048675 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO000821.txt b/Keio_Univ/MSBNK-Keio_Univ-KO000821.txt index 5872663cd88..97c01d7a4d1 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO000821.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO000821.txt @@ -19,7 +19,7 @@ CH$LINK: CHEBI CHEBI:15966 CH$LINK: CHEMPDB DGL CH$LINK: KEGG C00217 CH$LINK: NIKKAJI J9.214B -CH$LINK: PUBCHEM SID:3517 +CH$LINK: PUBCHEM CID:23327 CH$LINK: INCHIKEY WHUUTDBJXJRKMK-GSVOUGTGSA-N CH$LINK: COMPTOX DTXSID1048675 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO000822.txt b/Keio_Univ/MSBNK-Keio_Univ-KO000822.txt index b14867dcc04..9fa35ac7bd7 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO000822.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO000822.txt @@ -19,7 +19,7 @@ CH$LINK: CHEBI CHEBI:15966 CH$LINK: CHEMPDB DGL CH$LINK: KEGG C00217 CH$LINK: NIKKAJI J9.214B -CH$LINK: PUBCHEM SID:3517 +CH$LINK: PUBCHEM CID:23327 CH$LINK: INCHIKEY WHUUTDBJXJRKMK-GSVOUGTGSA-N CH$LINK: COMPTOX DTXSID1048675 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO000823.txt b/Keio_Univ/MSBNK-Keio_Univ-KO000823.txt index 39775de5c31..23e837f6128 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO000823.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO000823.txt @@ -19,7 +19,7 @@ CH$LINK: CHEBI CHEBI:15966 CH$LINK: CHEMPDB DGL CH$LINK: KEGG C00217 CH$LINK: NIKKAJI J9.214B -CH$LINK: PUBCHEM SID:3517 +CH$LINK: PUBCHEM CID:23327 CH$LINK: INCHIKEY WHUUTDBJXJRKMK-GSVOUGTGSA-N CH$LINK: COMPTOX DTXSID1048675 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO000824.txt b/Keio_Univ/MSBNK-Keio_Univ-KO000824.txt index 8673326339a..dacf561ac46 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO000824.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO000824.txt @@ -21,7 +21,7 @@ CH$LINK: CHEBI CHEBI:16856 CH$LINK: CHEMPDB GSH CH$LINK: KEGG C00051 CH$LINK: NIKKAJI J10.686K -CH$LINK: PUBCHEM SID:3353 +CH$LINK: PUBCHEM CID:124886 CH$LINK: INCHIKEY RWSXRVCMGQZWBV-WDSKDSINSA-N CH$LINK: COMPTOX DTXSID6023101 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO000825.txt b/Keio_Univ/MSBNK-Keio_Univ-KO000825.txt index f998f3a74ef..772fe147ece 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO000825.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO000825.txt @@ -21,7 +21,7 @@ CH$LINK: CHEBI CHEBI:16856 CH$LINK: CHEMPDB GSH CH$LINK: KEGG C00051 CH$LINK: NIKKAJI J10.686K -CH$LINK: PUBCHEM SID:3353 +CH$LINK: PUBCHEM CID:124886 CH$LINK: INCHIKEY RWSXRVCMGQZWBV-WDSKDSINSA-N CH$LINK: COMPTOX DTXSID6023101 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO000826.txt b/Keio_Univ/MSBNK-Keio_Univ-KO000826.txt index 073129dee7f..9d030417293 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO000826.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO000826.txt @@ -21,7 +21,7 @@ CH$LINK: CHEBI CHEBI:16856 CH$LINK: CHEMPDB GSH CH$LINK: KEGG C00051 CH$LINK: NIKKAJI J10.686K -CH$LINK: PUBCHEM SID:3353 +CH$LINK: PUBCHEM CID:124886 CH$LINK: INCHIKEY RWSXRVCMGQZWBV-WDSKDSINSA-N CH$LINK: COMPTOX DTXSID6023101 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO000827.txt b/Keio_Univ/MSBNK-Keio_Univ-KO000827.txt index d861a27fae5..b8f06be90fc 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO000827.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO000827.txt @@ -21,7 +21,7 @@ CH$LINK: CHEBI CHEBI:16856 CH$LINK: CHEMPDB GSH CH$LINK: KEGG C00051 CH$LINK: NIKKAJI J10.686K -CH$LINK: PUBCHEM SID:3353 +CH$LINK: PUBCHEM CID:124886 CH$LINK: INCHIKEY RWSXRVCMGQZWBV-WDSKDSINSA-N CH$LINK: COMPTOX DTXSID6023101 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO000828.txt b/Keio_Univ/MSBNK-Keio_Univ-KO000828.txt index 70fb2de5dbf..4802a53bea0 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO000828.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO000828.txt @@ -21,7 +21,7 @@ CH$LINK: CHEBI CHEBI:16856 CH$LINK: CHEMPDB GSH CH$LINK: KEGG C00051 CH$LINK: NIKKAJI J10.686K -CH$LINK: PUBCHEM SID:3353 +CH$LINK: PUBCHEM CID:124886 CH$LINK: INCHIKEY RWSXRVCMGQZWBV-WDSKDSINSA-N CH$LINK: COMPTOX DTXSID6023101 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO000829.txt b/Keio_Univ/MSBNK-Keio_Univ-KO000829.txt index eb3a269040d..62e5c687e99 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO000829.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO000829.txt @@ -17,7 +17,7 @@ CH$LINK: CHEBI CHEBI:15428 CH$LINK: CHEMPDB GLY CH$LINK: KEGG C00037 CH$LINK: NIKKAJI J1.163K -CH$LINK: PUBCHEM SID:3339 +CH$LINK: PUBCHEM CID:750 CH$LINK: INCHIKEY DHMQDGOQFOQNFH-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID9020667 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO000830.txt b/Keio_Univ/MSBNK-Keio_Univ-KO000830.txt index bea1f79167b..e9b1b293eaa 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO000830.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO000830.txt @@ -17,7 +17,7 @@ CH$LINK: CHEBI CHEBI:15428 CH$LINK: CHEMPDB GLY CH$LINK: KEGG C00037 CH$LINK: NIKKAJI J1.163K -CH$LINK: PUBCHEM SID:3339 +CH$LINK: PUBCHEM CID:750 CH$LINK: INCHIKEY DHMQDGOQFOQNFH-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID9020667 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO000831.txt b/Keio_Univ/MSBNK-Keio_Univ-KO000831.txt index b27aeea6ae7..ffd7e499bdf 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO000831.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO000831.txt @@ -17,7 +17,7 @@ CH$LINK: CHEBI CHEBI:15428 CH$LINK: CHEMPDB GLY CH$LINK: KEGG C00037 CH$LINK: NIKKAJI J1.163K -CH$LINK: PUBCHEM SID:3339 +CH$LINK: PUBCHEM CID:750 CH$LINK: INCHIKEY DHMQDGOQFOQNFH-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID9020667 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO000832.txt b/Keio_Univ/MSBNK-Keio_Univ-KO000832.txt index 8459e38d1d7..75a699509bc 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO000832.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO000832.txt @@ -16,7 +16,7 @@ CH$LINK: CAS 79-14-1 CH$LINK: CHEBI CHEBI:29805 CH$LINK: KEGG C00160 CH$LINK: NIKKAJI J1.494J -CH$LINK: PUBCHEM SID:3460 +CH$LINK: PUBCHEM CID:757 CH$LINK: INCHIKEY AEMRFAOFKBGASW-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID0025363 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO000833.txt b/Keio_Univ/MSBNK-Keio_Univ-KO000833.txt index 76b697a2104..7000108ae07 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO000833.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO000833.txt @@ -16,7 +16,7 @@ CH$LINK: CAS 79-14-1 CH$LINK: CHEBI CHEBI:29805 CH$LINK: KEGG C00160 CH$LINK: NIKKAJI J1.494J -CH$LINK: PUBCHEM SID:3460 +CH$LINK: PUBCHEM CID:757 CH$LINK: INCHIKEY AEMRFAOFKBGASW-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID0025363 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO000834.txt b/Keio_Univ/MSBNK-Keio_Univ-KO000834.txt index c495057c103..2eee736d7c5 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO000834.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO000834.txt @@ -16,7 +16,7 @@ CH$LINK: CAS 79-14-1 CH$LINK: CHEBI CHEBI:29805 CH$LINK: KEGG C00160 CH$LINK: NIKKAJI J1.494J -CH$LINK: PUBCHEM SID:3460 +CH$LINK: PUBCHEM CID:757 CH$LINK: INCHIKEY AEMRFAOFKBGASW-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID0025363 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO000835.txt b/Keio_Univ/MSBNK-Keio_Univ-KO000835.txt index c25edb78381..ace8d531362 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO000835.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO000835.txt @@ -16,7 +16,7 @@ CH$LINK: CAS 298-12-4 CH$LINK: CHEBI CHEBI:16891 CH$LINK: KEGG C00048 CH$LINK: NIKKAJI J38.150K -CH$LINK: PUBCHEM SID:3350 +CH$LINK: PUBCHEM CID:760 CH$LINK: INCHIKEY HHLFWLYXYJOTON-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID5021594 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO000836.txt b/Keio_Univ/MSBNK-Keio_Univ-KO000836.txt index 2b1d17877c3..778074275b2 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO000836.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO000836.txt @@ -16,7 +16,7 @@ CH$LINK: CAS 298-12-4 CH$LINK: CHEBI CHEBI:16891 CH$LINK: KEGG C00048 CH$LINK: NIKKAJI J38.150K -CH$LINK: PUBCHEM SID:3350 +CH$LINK: PUBCHEM CID:760 CH$LINK: INCHIKEY HHLFWLYXYJOTON-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID5021594 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO000837.txt b/Keio_Univ/MSBNK-Keio_Univ-KO000837.txt index d230bf170b3..5d4d9d7650d 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO000837.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO000837.txt @@ -16,7 +16,7 @@ CH$LINK: CAS 298-12-4 CH$LINK: CHEBI CHEBI:16891 CH$LINK: KEGG C00048 CH$LINK: NIKKAJI J38.150K -CH$LINK: PUBCHEM SID:3350 +CH$LINK: PUBCHEM CID:760 CH$LINK: INCHIKEY HHLFWLYXYJOTON-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID5021594 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO000843.txt b/Keio_Univ/MSBNK-Keio_Univ-KO000843.txt index d52b8ec7709..534d4546b83 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO000843.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO000843.txt @@ -17,7 +17,7 @@ CH$LINK: CHEBI CHEBI:18050 CH$LINK: CHEMPDB GLN CH$LINK: KEGG C00064 CH$LINK: NIKKAJI J9.170G -CH$LINK: PUBCHEM SID:3364 +CH$LINK: PUBCHEM CID:5961 CH$LINK: INCHIKEY ZDXPYRJPNDTMRX-VKHMYHEASA-N CH$LINK: COMPTOX DTXSID1023100 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO000844.txt b/Keio_Univ/MSBNK-Keio_Univ-KO000844.txt index 6ba5a6e06bd..650f3f7070b 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO000844.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO000844.txt @@ -17,7 +17,7 @@ CH$LINK: CHEBI CHEBI:18050 CH$LINK: CHEMPDB GLN CH$LINK: KEGG C00064 CH$LINK: NIKKAJI J9.170G -CH$LINK: PUBCHEM SID:3364 +CH$LINK: PUBCHEM CID:5961 CH$LINK: INCHIKEY ZDXPYRJPNDTMRX-VKHMYHEASA-N CH$LINK: COMPTOX DTXSID1023100 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO000845.txt b/Keio_Univ/MSBNK-Keio_Univ-KO000845.txt index 27f036b2009..6fcd31a35d3 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO000845.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO000845.txt @@ -17,7 +17,7 @@ CH$LINK: CHEBI CHEBI:18050 CH$LINK: CHEMPDB GLN CH$LINK: KEGG C00064 CH$LINK: NIKKAJI J9.170G -CH$LINK: PUBCHEM SID:3364 +CH$LINK: PUBCHEM CID:5961 CH$LINK: INCHIKEY ZDXPYRJPNDTMRX-VKHMYHEASA-N CH$LINK: COMPTOX DTXSID1023100 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO000846.txt b/Keio_Univ/MSBNK-Keio_Univ-KO000846.txt index e24a6b1f86d..dcab71a9bb5 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO000846.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO000846.txt @@ -17,7 +17,7 @@ CH$LINK: CHEBI CHEBI:18050 CH$LINK: CHEMPDB GLN CH$LINK: KEGG C00064 CH$LINK: NIKKAJI J9.170G -CH$LINK: PUBCHEM SID:3364 +CH$LINK: PUBCHEM CID:5961 CH$LINK: INCHIKEY ZDXPYRJPNDTMRX-VKHMYHEASA-N CH$LINK: COMPTOX DTXSID1023100 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO000847.txt b/Keio_Univ/MSBNK-Keio_Univ-KO000847.txt index ca8b2e0d7ba..8d84c56048e 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO000847.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO000847.txt @@ -17,7 +17,7 @@ CH$LINK: CHEBI CHEBI:18050 CH$LINK: CHEMPDB GLN CH$LINK: KEGG C00064 CH$LINK: NIKKAJI J9.170G -CH$LINK: PUBCHEM SID:3364 +CH$LINK: PUBCHEM CID:5961 CH$LINK: INCHIKEY ZDXPYRJPNDTMRX-VKHMYHEASA-N CH$LINK: COMPTOX DTXSID1023100 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO000848.txt b/Keio_Univ/MSBNK-Keio_Univ-KO000848.txt index 1a88ff6df96..2e80f8ee8e7 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO000848.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO000848.txt @@ -18,7 +18,7 @@ CH$LINK: CHEBI CHEBI:16015 CH$LINK: CHEMPDB GLU CH$LINK: KEGG C00025 CH$LINK: NIKKAJI J9.171E -CH$LINK: PUBCHEM SID:3327 +CH$LINK: PUBCHEM CID:33032 CH$LINK: INCHIKEY WHUUTDBJXJRKMK-VKHMYHEASA-N CH$LINK: COMPTOX DTXSID5020659 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO000849.txt b/Keio_Univ/MSBNK-Keio_Univ-KO000849.txt index 8022599bb7a..3773f54aa25 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO000849.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO000849.txt @@ -18,7 +18,7 @@ CH$LINK: CHEBI CHEBI:16015 CH$LINK: CHEMPDB GLU CH$LINK: KEGG C00025 CH$LINK: NIKKAJI J9.171E -CH$LINK: PUBCHEM SID:3327 +CH$LINK: PUBCHEM CID:33032 CH$LINK: INCHIKEY WHUUTDBJXJRKMK-VKHMYHEASA-N CH$LINK: COMPTOX DTXSID5020659 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO000850.txt b/Keio_Univ/MSBNK-Keio_Univ-KO000850.txt index 493aa792986..b20d65f0e89 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO000850.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO000850.txt @@ -18,7 +18,7 @@ CH$LINK: CHEBI CHEBI:16015 CH$LINK: CHEMPDB GLU CH$LINK: KEGG C00025 CH$LINK: NIKKAJI J9.171E -CH$LINK: PUBCHEM SID:3327 +CH$LINK: PUBCHEM CID:33032 CH$LINK: INCHIKEY WHUUTDBJXJRKMK-VKHMYHEASA-N CH$LINK: COMPTOX DTXSID5020659 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO000851.txt b/Keio_Univ/MSBNK-Keio_Univ-KO000851.txt index fedf3257141..40cfe3120a4 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO000851.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO000851.txt @@ -18,7 +18,7 @@ CH$LINK: CHEBI CHEBI:16015 CH$LINK: CHEMPDB GLU CH$LINK: KEGG C00025 CH$LINK: NIKKAJI J9.171E -CH$LINK: PUBCHEM SID:3327 +CH$LINK: PUBCHEM CID:33032 CH$LINK: INCHIKEY WHUUTDBJXJRKMK-VKHMYHEASA-N CH$LINK: COMPTOX DTXSID5020659 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO000852.txt b/Keio_Univ/MSBNK-Keio_Univ-KO000852.txt index 78acb728511..cd046de9883 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO000852.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO000852.txt @@ -18,7 +18,7 @@ CH$LINK: CHEBI CHEBI:16015 CH$LINK: CHEMPDB GLU CH$LINK: KEGG C00025 CH$LINK: NIKKAJI J9.171E -CH$LINK: PUBCHEM SID:3327 +CH$LINK: PUBCHEM CID:33032 CH$LINK: INCHIKEY WHUUTDBJXJRKMK-VKHMYHEASA-N CH$LINK: COMPTOX DTXSID5020659 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO000853.txt b/Keio_Univ/MSBNK-Keio_Univ-KO000853.txt index 8afb12d8a33..27ffff3912f 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO000853.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO000853.txt @@ -18,7 +18,7 @@ CH$LINK: CAS 59-56-3 CH$LINK: CHEBI CHEBI:16077 CH$LINK: KEGG C00103 CH$LINK: NIKKAJI J40.065C -CH$LINK: PUBCHEM SID:3403 +CH$LINK: PUBCHEM CID:65533 CH$LINK: INCHIKEY HXXFSFRBOHSIMQ-VFUOTHLCSA-N CH$LINK: COMPTOX DTXSID90889321 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO000854.txt b/Keio_Univ/MSBNK-Keio_Univ-KO000854.txt index 6ccc7881b54..1560665b094 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO000854.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO000854.txt @@ -18,7 +18,7 @@ CH$LINK: CAS 59-56-3 CH$LINK: CHEBI CHEBI:16077 CH$LINK: KEGG C00103 CH$LINK: NIKKAJI J40.065C -CH$LINK: PUBCHEM SID:3403 +CH$LINK: PUBCHEM CID:65533 CH$LINK: INCHIKEY HXXFSFRBOHSIMQ-VFUOTHLCSA-N CH$LINK: COMPTOX DTXSID90889321 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO000855.txt b/Keio_Univ/MSBNK-Keio_Univ-KO000855.txt index ac5fb33f8af..d43f0114cd6 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO000855.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO000855.txt @@ -18,7 +18,7 @@ CH$LINK: CAS 59-56-3 CH$LINK: CHEBI CHEBI:16077 CH$LINK: KEGG C00103 CH$LINK: NIKKAJI J40.065C -CH$LINK: PUBCHEM SID:3403 +CH$LINK: PUBCHEM CID:65533 CH$LINK: INCHIKEY HXXFSFRBOHSIMQ-VFUOTHLCSA-N CH$LINK: COMPTOX DTXSID90889321 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO000856.txt b/Keio_Univ/MSBNK-Keio_Univ-KO000856.txt index 27f4c90bd54..67745420f1a 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO000856.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO000856.txt @@ -18,7 +18,7 @@ CH$LINK: CAS 59-56-3 CH$LINK: CHEBI CHEBI:16077 CH$LINK: KEGG C00103 CH$LINK: NIKKAJI J40.065C -CH$LINK: PUBCHEM SID:3403 +CH$LINK: PUBCHEM CID:65533 CH$LINK: INCHIKEY HXXFSFRBOHSIMQ-VFUOTHLCSA-N CH$LINK: COMPTOX DTXSID90889321 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO000857.txt b/Keio_Univ/MSBNK-Keio_Univ-KO000857.txt index 94a71f3ec39..b042cbfc766 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO000857.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO000857.txt @@ -18,7 +18,7 @@ CH$LINK: CAS 59-56-3 CH$LINK: CHEBI CHEBI:16077 CH$LINK: KEGG C00103 CH$LINK: NIKKAJI J40.065C -CH$LINK: PUBCHEM SID:3403 +CH$LINK: PUBCHEM CID:65533 CH$LINK: INCHIKEY HXXFSFRBOHSIMQ-VFUOTHLCSA-N CH$LINK: COMPTOX DTXSID90889321 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO000858.txt b/Keio_Univ/MSBNK-Keio_Univ-KO000858.txt index 880e0e0eb2a..984bad3cf44 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO000858.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO000858.txt @@ -17,7 +17,7 @@ CH$LINK: CAS 473-81-4 CH$LINK: CHEBI CHEBI:32398 CH$LINK: KEGG C00258 CH$LINK: NIKKAJI J5.966H -CH$LINK: PUBCHEM SID:3557 +CH$LINK: PUBCHEM CID:439194 CH$LINK: INCHIKEY RBNPOMFGQQGHHO-UWTATZPHSA-N AC$INSTRUMENT: API3000, Applied Biosystems AC$INSTRUMENT_TYPE: LC-ESI-QQ diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO000859.txt b/Keio_Univ/MSBNK-Keio_Univ-KO000859.txt index a40ddebbd5c..4e94da235bf 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO000859.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO000859.txt @@ -17,7 +17,7 @@ CH$LINK: CAS 473-81-4 CH$LINK: CHEBI CHEBI:32398 CH$LINK: KEGG C00258 CH$LINK: NIKKAJI J5.966H -CH$LINK: PUBCHEM SID:3557 +CH$LINK: PUBCHEM CID:439194 CH$LINK: INCHIKEY RBNPOMFGQQGHHO-UWTATZPHSA-N AC$INSTRUMENT: API3000, Applied Biosystems AC$INSTRUMENT_TYPE: LC-ESI-QQ diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO000860.txt b/Keio_Univ/MSBNK-Keio_Univ-KO000860.txt index d96d1d9650e..f06b7bea3fd 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO000860.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO000860.txt @@ -17,7 +17,7 @@ CH$LINK: CAS 473-81-4 CH$LINK: CHEBI CHEBI:32398 CH$LINK: KEGG C00258 CH$LINK: NIKKAJI J5.966H -CH$LINK: PUBCHEM SID:3557 +CH$LINK: PUBCHEM CID:439194 CH$LINK: INCHIKEY RBNPOMFGQQGHHO-UWTATZPHSA-N AC$INSTRUMENT: API3000, Applied Biosystems AC$INSTRUMENT_TYPE: LC-ESI-QQ diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO000861.txt b/Keio_Univ/MSBNK-Keio_Univ-KO000861.txt index b5e758d34b8..8c31317c763 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO000861.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO000861.txt @@ -17,7 +17,7 @@ CH$LINK: CAS 473-81-4 CH$LINK: CHEBI CHEBI:32398 CH$LINK: KEGG C00258 CH$LINK: NIKKAJI J5.966H -CH$LINK: PUBCHEM SID:3557 +CH$LINK: PUBCHEM CID:439194 CH$LINK: INCHIKEY RBNPOMFGQQGHHO-UWTATZPHSA-N AC$INSTRUMENT: API3000, Applied Biosystems AC$INSTRUMENT_TYPE: LC-ESI-QQ diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO000862.txt b/Keio_Univ/MSBNK-Keio_Univ-KO000862.txt index 11b8159cbe2..8202b9c6673 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO000862.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO000862.txt @@ -17,7 +17,7 @@ CH$LINK: CAS 473-81-4 CH$LINK: CHEBI CHEBI:32398 CH$LINK: KEGG C00258 CH$LINK: NIKKAJI J5.966H -CH$LINK: PUBCHEM SID:3557 +CH$LINK: PUBCHEM CID:439194 CH$LINK: INCHIKEY RBNPOMFGQQGHHO-UWTATZPHSA-N AC$INSTRUMENT: API3000, Applied Biosystems AC$INSTRUMENT_TYPE: LC-ESI-QQ diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO000863.txt b/Keio_Univ/MSBNK-Keio_Univ-KO000863.txt index d1b85d5e363..ebe5ae9482d 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO000863.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO000863.txt @@ -18,7 +18,7 @@ CH$LINK: CAS 526-95-4 CH$LINK: CHEBI CHEBI:4157 CH$LINK: KEGG C00257 CH$LINK: NIKKAJI J3.286G -CH$LINK: PUBCHEM SID:3556 +CH$LINK: PUBCHEM CID:10690 CH$LINK: INCHIKEY RGHNJXZEOKUKBD-SQOUGZDYSA-N CH$LINK: COMPTOX DTXSID8027169 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO000864.txt b/Keio_Univ/MSBNK-Keio_Univ-KO000864.txt index dfefb14e453..980c16e4d0a 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO000864.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO000864.txt @@ -18,7 +18,7 @@ CH$LINK: CAS 526-95-4 CH$LINK: CHEBI CHEBI:4157 CH$LINK: KEGG C00257 CH$LINK: NIKKAJI J3.286G -CH$LINK: PUBCHEM SID:3556 +CH$LINK: PUBCHEM CID:10690 CH$LINK: INCHIKEY RGHNJXZEOKUKBD-SQOUGZDYSA-N CH$LINK: COMPTOX DTXSID8027169 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO000865.txt b/Keio_Univ/MSBNK-Keio_Univ-KO000865.txt index 9f051de2a96..e66a835b893 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO000865.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO000865.txt @@ -18,7 +18,7 @@ CH$LINK: CAS 526-95-4 CH$LINK: CHEBI CHEBI:4157 CH$LINK: KEGG C00257 CH$LINK: NIKKAJI J3.286G -CH$LINK: PUBCHEM SID:3556 +CH$LINK: PUBCHEM CID:10690 CH$LINK: INCHIKEY RGHNJXZEOKUKBD-SQOUGZDYSA-N CH$LINK: COMPTOX DTXSID8027169 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO000866.txt b/Keio_Univ/MSBNK-Keio_Univ-KO000866.txt index 1b9f9e83033..325acbb1ba6 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO000866.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO000866.txt @@ -18,7 +18,7 @@ CH$LINK: CAS 526-95-4 CH$LINK: CHEBI CHEBI:4157 CH$LINK: KEGG C00257 CH$LINK: NIKKAJI J3.286G -CH$LINK: PUBCHEM SID:3556 +CH$LINK: PUBCHEM CID:10690 CH$LINK: INCHIKEY RGHNJXZEOKUKBD-SQOUGZDYSA-N CH$LINK: COMPTOX DTXSID8027169 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO000867.txt b/Keio_Univ/MSBNK-Keio_Univ-KO000867.txt index f36f9327ddb..91759dc6e56 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO000867.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO000867.txt @@ -18,7 +18,7 @@ CH$LINK: CAS 526-95-4 CH$LINK: CHEBI CHEBI:4157 CH$LINK: KEGG C00257 CH$LINK: NIKKAJI J3.286G -CH$LINK: PUBCHEM SID:3556 +CH$LINK: PUBCHEM CID:10690 CH$LINK: INCHIKEY RGHNJXZEOKUKBD-SQOUGZDYSA-N CH$LINK: COMPTOX DTXSID8027169 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO000868.txt b/Keio_Univ/MSBNK-Keio_Univ-KO000868.txt index 8aba9c1f96e..63c9cf7545d 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO000868.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO000868.txt @@ -16,7 +16,7 @@ CH$LINK: CAS 463-00-3 CH$LINK: CHEBI CHEBI:15728 CH$LINK: KEGG C01035 CH$LINK: NIKKAJI J196.182I -CH$LINK: PUBCHEM SID:4278 +CH$LINK: PUBCHEM CID:500 CH$LINK: INCHIKEY TUHVEAJXIMEOSA-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID50196785 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO000869.txt b/Keio_Univ/MSBNK-Keio_Univ-KO000869.txt index 11873455d6f..6e0ca91536b 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO000869.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO000869.txt @@ -16,7 +16,7 @@ CH$LINK: CAS 463-00-3 CH$LINK: CHEBI CHEBI:15728 CH$LINK: KEGG C01035 CH$LINK: NIKKAJI J196.182I -CH$LINK: PUBCHEM SID:4278 +CH$LINK: PUBCHEM CID:500 CH$LINK: INCHIKEY TUHVEAJXIMEOSA-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID50196785 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO000870.txt b/Keio_Univ/MSBNK-Keio_Univ-KO000870.txt index b536adb1ea4..068d31f9f00 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO000870.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO000870.txt @@ -16,7 +16,7 @@ CH$LINK: CAS 463-00-3 CH$LINK: CHEBI CHEBI:15728 CH$LINK: KEGG C01035 CH$LINK: NIKKAJI J196.182I -CH$LINK: PUBCHEM SID:4278 +CH$LINK: PUBCHEM CID:500 CH$LINK: INCHIKEY TUHVEAJXIMEOSA-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID50196785 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO000871.txt b/Keio_Univ/MSBNK-Keio_Univ-KO000871.txt index f4d0709d462..f22216391bc 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO000871.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO000871.txt @@ -16,7 +16,7 @@ CH$LINK: CAS 463-00-3 CH$LINK: CHEBI CHEBI:15728 CH$LINK: KEGG C01035 CH$LINK: NIKKAJI J196.182I -CH$LINK: PUBCHEM SID:4278 +CH$LINK: PUBCHEM CID:500 CH$LINK: INCHIKEY TUHVEAJXIMEOSA-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID50196785 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO000872.txt b/Keio_Univ/MSBNK-Keio_Univ-KO000872.txt index 2358c1537c8..f02af41e2f0 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO000872.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO000872.txt @@ -16,7 +16,7 @@ CH$LINK: CAS 463-00-3 CH$LINK: CHEBI CHEBI:15728 CH$LINK: KEGG C01035 CH$LINK: NIKKAJI J196.182I -CH$LINK: PUBCHEM SID:4278 +CH$LINK: PUBCHEM CID:500 CH$LINK: INCHIKEY TUHVEAJXIMEOSA-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID50196785 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO000873.txt b/Keio_Univ/MSBNK-Keio_Univ-KO000873.txt index 015e0365deb..076d45b9645 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO000873.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO000873.txt @@ -18,7 +18,7 @@ CH$LINK: CHEBI CHEBI:17859 CH$LINK: CHEMPDB GUA CH$LINK: KEGG C00489 CH$LINK: NIKKAJI J40.077G -CH$LINK: PUBCHEM SID:3772 +CH$LINK: PUBCHEM CID:743 CH$LINK: INCHIKEY JFCQEDHGNNZCLN-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID2021654 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO000874.txt b/Keio_Univ/MSBNK-Keio_Univ-KO000874.txt index daa84bfb7e1..13fe506679b 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO000874.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO000874.txt @@ -18,7 +18,7 @@ CH$LINK: CHEBI CHEBI:17859 CH$LINK: CHEMPDB GUA CH$LINK: KEGG C00489 CH$LINK: NIKKAJI J40.077G -CH$LINK: PUBCHEM SID:3772 +CH$LINK: PUBCHEM CID:743 CH$LINK: INCHIKEY JFCQEDHGNNZCLN-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID2021654 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO000875.txt b/Keio_Univ/MSBNK-Keio_Univ-KO000875.txt index 06733baa4a7..b96cbafebbb 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO000875.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO000875.txt @@ -18,7 +18,7 @@ CH$LINK: CHEBI CHEBI:17859 CH$LINK: CHEMPDB GUA CH$LINK: KEGG C00489 CH$LINK: NIKKAJI J40.077G -CH$LINK: PUBCHEM SID:3772 +CH$LINK: PUBCHEM CID:743 CH$LINK: INCHIKEY JFCQEDHGNNZCLN-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID2021654 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO000876.txt b/Keio_Univ/MSBNK-Keio_Univ-KO000876.txt index 9e6171f65a7..2d0b0662098 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO000876.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO000876.txt @@ -18,7 +18,7 @@ CH$LINK: CHEBI CHEBI:17859 CH$LINK: CHEMPDB GUA CH$LINK: KEGG C00489 CH$LINK: NIKKAJI J40.077G -CH$LINK: PUBCHEM SID:3772 +CH$LINK: PUBCHEM CID:743 CH$LINK: INCHIKEY JFCQEDHGNNZCLN-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID2021654 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO000877.txt b/Keio_Univ/MSBNK-Keio_Univ-KO000877.txt index 068af04707c..e8e0a2b801e 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO000877.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO000877.txt @@ -18,7 +18,7 @@ CH$LINK: CHEBI CHEBI:17859 CH$LINK: CHEMPDB GUA CH$LINK: KEGG C00489 CH$LINK: NIKKAJI J40.077G -CH$LINK: PUBCHEM SID:3772 +CH$LINK: PUBCHEM CID:743 CH$LINK: INCHIKEY JFCQEDHGNNZCLN-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID2021654 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO000878.txt b/Keio_Univ/MSBNK-Keio_Univ-KO000878.txt index 284d4593555..3a1d20718b8 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO000878.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO000878.txt @@ -15,7 +15,7 @@ CH$LINK: CAS 556-50-3 CH$LINK: CHEBI CHEBI:17201 CH$LINK: KEGG C02037 CH$LINK: NIKKAJI J2.659J -CH$LINK: PUBCHEM SID:5129 +CH$LINK: PUBCHEM CID:11163 CH$LINK: INCHIKEY YMAWOPBAYDPSLA-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID90862194 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO000879.txt b/Keio_Univ/MSBNK-Keio_Univ-KO000879.txt index dd5ec80532d..eb78e3f8d92 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO000879.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO000879.txt @@ -15,7 +15,7 @@ CH$LINK: CAS 556-50-3 CH$LINK: CHEBI CHEBI:17201 CH$LINK: KEGG C02037 CH$LINK: NIKKAJI J2.659J -CH$LINK: PUBCHEM SID:5129 +CH$LINK: PUBCHEM CID:11163 CH$LINK: INCHIKEY YMAWOPBAYDPSLA-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID90862194 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO000880.txt b/Keio_Univ/MSBNK-Keio_Univ-KO000880.txt index 92ab16eed18..f88a7651322 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO000880.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO000880.txt @@ -15,7 +15,7 @@ CH$LINK: CAS 556-50-3 CH$LINK: CHEBI CHEBI:17201 CH$LINK: KEGG C02037 CH$LINK: NIKKAJI J2.659J -CH$LINK: PUBCHEM SID:5129 +CH$LINK: PUBCHEM CID:11163 CH$LINK: INCHIKEY YMAWOPBAYDPSLA-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID90862194 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO000881.txt b/Keio_Univ/MSBNK-Keio_Univ-KO000881.txt index 5f8f17ec33b..87f88be0312 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO000881.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO000881.txt @@ -15,7 +15,7 @@ CH$LINK: CAS 556-50-3 CH$LINK: CHEBI CHEBI:17201 CH$LINK: KEGG C02037 CH$LINK: NIKKAJI J2.659J -CH$LINK: PUBCHEM SID:5129 +CH$LINK: PUBCHEM CID:11163 CH$LINK: INCHIKEY YMAWOPBAYDPSLA-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID90862194 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO000882.txt b/Keio_Univ/MSBNK-Keio_Univ-KO000882.txt index 1da5ba0ceab..5c371e4a737 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO000882.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO000882.txt @@ -15,7 +15,7 @@ CH$LINK: CAS 556-50-3 CH$LINK: CHEBI CHEBI:17201 CH$LINK: KEGG C02037 CH$LINK: NIKKAJI J2.659J -CH$LINK: PUBCHEM SID:5129 +CH$LINK: PUBCHEM CID:11163 CH$LINK: INCHIKEY YMAWOPBAYDPSLA-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID90862194 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO000884.txt b/Keio_Univ/MSBNK-Keio_Univ-KO000884.txt index afb7c1fc74d..0550f5d26a0 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO000884.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO000884.txt @@ -13,7 +13,7 @@ CH$IUPAC: InChI=1S/C10H16N2O7/c11-5(1-3-7(13)14)9(17)12-6(10(18)19)2-4-8(15)16/h CH$LINK: CAS 3929-61-1 CH$LINK: KEGG C01425 CH$LINK: NIKKAJI J364.668H -CH$LINK: PUBCHEM SID:4610 +CH$LINK: PUBCHEM CID:439500 CH$LINK: INCHIKEY KOSRFJWDECSPRO-WDSKDSINSA-N AC$INSTRUMENT: API3000, Applied Biosystems AC$INSTRUMENT_TYPE: LC-ESI-QQ diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO000885.txt b/Keio_Univ/MSBNK-Keio_Univ-KO000885.txt index 3aae2484c9f..02fd5bf6b52 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO000885.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO000885.txt @@ -13,7 +13,7 @@ CH$IUPAC: InChI=1S/C10H16N2O7/c11-5(1-3-7(13)14)9(17)12-6(10(18)19)2-4-8(15)16/h CH$LINK: CAS 3929-61-1 CH$LINK: KEGG C01425 CH$LINK: NIKKAJI J364.668H -CH$LINK: PUBCHEM SID:4610 +CH$LINK: PUBCHEM CID:439500 CH$LINK: INCHIKEY KOSRFJWDECSPRO-WDSKDSINSA-N AC$INSTRUMENT: API3000, Applied Biosystems AC$INSTRUMENT_TYPE: LC-ESI-QQ diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO000886.txt b/Keio_Univ/MSBNK-Keio_Univ-KO000886.txt index 57587d9737d..d3e4ed45714 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO000886.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO000886.txt @@ -13,7 +13,7 @@ CH$IUPAC: InChI=1S/C10H16N2O7/c11-5(1-3-7(13)14)9(17)12-6(10(18)19)2-4-8(15)16/h CH$LINK: CAS 3929-61-1 CH$LINK: KEGG C01425 CH$LINK: NIKKAJI J364.668H -CH$LINK: PUBCHEM SID:4610 +CH$LINK: PUBCHEM CID:439500 CH$LINK: INCHIKEY KOSRFJWDECSPRO-WDSKDSINSA-N AC$INSTRUMENT: API3000, Applied Biosystems AC$INSTRUMENT_TYPE: LC-ESI-QQ diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO000887.txt b/Keio_Univ/MSBNK-Keio_Univ-KO000887.txt index ceed36b5caa..a85eba603ff 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO000887.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO000887.txt @@ -13,7 +13,7 @@ CH$IUPAC: InChI=1S/C10H16N2O7/c11-5(1-3-7(13)14)9(17)12-6(10(18)19)2-4-8(15)16/h CH$LINK: CAS 3929-61-1 CH$LINK: KEGG C01425 CH$LINK: NIKKAJI J364.668H -CH$LINK: PUBCHEM SID:4610 +CH$LINK: PUBCHEM CID:439500 CH$LINK: INCHIKEY KOSRFJWDECSPRO-WDSKDSINSA-N AC$INSTRUMENT: API3000, Applied Biosystems AC$INSTRUMENT_TYPE: LC-ESI-QQ diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO000888.txt b/Keio_Univ/MSBNK-Keio_Univ-KO000888.txt index 0d08b0ee974..b19a5feb48f 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO000888.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO000888.txt @@ -18,7 +18,7 @@ CH$LINK: CAS 149-91-7 CH$LINK: CHEBI CHEBI:30778 CH$LINK: KEGG C01424 CH$LINK: NIKKAJI J7.408J -CH$LINK: PUBCHEM SID:4609 +CH$LINK: PUBCHEM CID:370 CH$LINK: INCHIKEY LNTHITQWFMADLM-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID0020650 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO000889.txt b/Keio_Univ/MSBNK-Keio_Univ-KO000889.txt index e0dad2fc818..eb60bc348bc 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO000889.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO000889.txt @@ -18,7 +18,7 @@ CH$LINK: CAS 149-91-7 CH$LINK: CHEBI CHEBI:30778 CH$LINK: KEGG C01424 CH$LINK: NIKKAJI J7.408J -CH$LINK: PUBCHEM SID:4609 +CH$LINK: PUBCHEM CID:370 CH$LINK: INCHIKEY LNTHITQWFMADLM-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID0020650 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO000890.txt b/Keio_Univ/MSBNK-Keio_Univ-KO000890.txt index 28b3ce2bd40..189760c169d 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO000890.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO000890.txt @@ -18,7 +18,7 @@ CH$LINK: CAS 149-91-7 CH$LINK: CHEBI CHEBI:30778 CH$LINK: KEGG C01424 CH$LINK: NIKKAJI J7.408J -CH$LINK: PUBCHEM SID:4609 +CH$LINK: PUBCHEM CID:370 CH$LINK: INCHIKEY LNTHITQWFMADLM-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID0020650 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO000891.txt b/Keio_Univ/MSBNK-Keio_Univ-KO000891.txt index 77c5790116e..b8f0fed5846 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO000891.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO000891.txt @@ -18,7 +18,7 @@ CH$LINK: CAS 149-91-7 CH$LINK: CHEBI CHEBI:30778 CH$LINK: KEGG C01424 CH$LINK: NIKKAJI J7.408J -CH$LINK: PUBCHEM SID:4609 +CH$LINK: PUBCHEM CID:370 CH$LINK: INCHIKEY LNTHITQWFMADLM-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID0020650 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO000892.txt b/Keio_Univ/MSBNK-Keio_Univ-KO000892.txt index 077f5f81374..8203f182c5c 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO000892.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO000892.txt @@ -18,7 +18,7 @@ CH$LINK: CAS 149-91-7 CH$LINK: CHEBI CHEBI:30778 CH$LINK: KEGG C01424 CH$LINK: NIKKAJI J7.408J -CH$LINK: PUBCHEM SID:4609 +CH$LINK: PUBCHEM CID:370 CH$LINK: INCHIKEY LNTHITQWFMADLM-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID0020650 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO000893.txt b/Keio_Univ/MSBNK-Keio_Univ-KO000893.txt index 0f5bdf00a2a..456eceb5d08 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO000893.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO000893.txt @@ -16,7 +16,7 @@ CH$LINK: CAS 475-31-0 CH$LINK: CHEBI CHEBI:29746 CH$LINK: KEGG C01921 CH$LINK: NIKKAJI J12.411G -CH$LINK: PUBCHEM SID:5027 +CH$LINK: PUBCHEM CID:10140 CH$LINK: INCHIKEY RFDAIACWWDREDC-FRVQLJSFSA-N CH$LINK: COMPTOX DTXSID2047436 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO000894.txt b/Keio_Univ/MSBNK-Keio_Univ-KO000894.txt index e358007f699..3de7ea6ed27 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO000894.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO000894.txt @@ -16,7 +16,7 @@ CH$LINK: CAS 475-31-0 CH$LINK: CHEBI CHEBI:29746 CH$LINK: KEGG C01921 CH$LINK: NIKKAJI J12.411G -CH$LINK: PUBCHEM SID:5027 +CH$LINK: PUBCHEM CID:10140 CH$LINK: INCHIKEY RFDAIACWWDREDC-FRVQLJSFSA-N CH$LINK: COMPTOX DTXSID2047436 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO000895.txt b/Keio_Univ/MSBNK-Keio_Univ-KO000895.txt index 7ca19c29e77..66cfdee7aa9 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO000895.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO000895.txt @@ -16,7 +16,7 @@ CH$LINK: CAS 475-31-0 CH$LINK: CHEBI CHEBI:29746 CH$LINK: KEGG C01921 CH$LINK: NIKKAJI J12.411G -CH$LINK: PUBCHEM SID:5027 +CH$LINK: PUBCHEM CID:10140 CH$LINK: INCHIKEY RFDAIACWWDREDC-FRVQLJSFSA-N CH$LINK: COMPTOX DTXSID2047436 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO000896.txt b/Keio_Univ/MSBNK-Keio_Univ-KO000896.txt index a5c1c773afd..9f5c1c1a8e6 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO000896.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO000896.txt @@ -16,7 +16,7 @@ CH$LINK: CAS 475-31-0 CH$LINK: CHEBI CHEBI:29746 CH$LINK: KEGG C01921 CH$LINK: NIKKAJI J12.411G -CH$LINK: PUBCHEM SID:5027 +CH$LINK: PUBCHEM CID:10140 CH$LINK: INCHIKEY RFDAIACWWDREDC-FRVQLJSFSA-N CH$LINK: COMPTOX DTXSID2047436 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO000897.txt b/Keio_Univ/MSBNK-Keio_Univ-KO000897.txt index e6f526b2c6d..de02420e8b2 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO000897.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO000897.txt @@ -16,7 +16,7 @@ CH$LINK: CAS 475-31-0 CH$LINK: CHEBI CHEBI:29746 CH$LINK: KEGG C01921 CH$LINK: NIKKAJI J12.411G -CH$LINK: PUBCHEM SID:5027 +CH$LINK: PUBCHEM CID:10140 CH$LINK: INCHIKEY RFDAIACWWDREDC-FRVQLJSFSA-N CH$LINK: COMPTOX DTXSID2047436 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO000903.txt b/Keio_Univ/MSBNK-Keio_Univ-KO000903.txt index 2158507c1cb..89b8360fbe7 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO000903.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO000903.txt @@ -18,7 +18,7 @@ CH$LINK: CAS 3646-68-2 CH$LINK: CHEBI CHEBI:17784 CH$LINK: KEGG C03752 CH$LINK: NIKKAJI J205.566J -CH$LINK: PUBCHEM SID:6511 +CH$LINK: PUBCHEM CID:73563 CH$LINK: INCHIKEY UFYKDFXCZBTLOO-TXICZTDVSA-N CH$LINK: COMPTOX DTXSID60878848 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO000904.txt b/Keio_Univ/MSBNK-Keio_Univ-KO000904.txt index 31196b28b8f..df5153eb12c 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO000904.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO000904.txt @@ -18,7 +18,7 @@ CH$LINK: CAS 3646-68-2 CH$LINK: CHEBI CHEBI:17784 CH$LINK: KEGG C03752 CH$LINK: NIKKAJI J205.566J -CH$LINK: PUBCHEM SID:6511 +CH$LINK: PUBCHEM CID:73563 CH$LINK: INCHIKEY UFYKDFXCZBTLOO-TXICZTDVSA-N CH$LINK: COMPTOX DTXSID60878848 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO000905.txt b/Keio_Univ/MSBNK-Keio_Univ-KO000905.txt index 213349fbacc..dc3717e3f51 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO000905.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO000905.txt @@ -18,7 +18,7 @@ CH$LINK: CAS 3646-68-2 CH$LINK: CHEBI CHEBI:17784 CH$LINK: KEGG C03752 CH$LINK: NIKKAJI J205.566J -CH$LINK: PUBCHEM SID:6511 +CH$LINK: PUBCHEM CID:73563 CH$LINK: INCHIKEY UFYKDFXCZBTLOO-TXICZTDVSA-N CH$LINK: COMPTOX DTXSID60878848 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO000906.txt b/Keio_Univ/MSBNK-Keio_Univ-KO000906.txt index 5edfd502e75..a3a8d56ffd0 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO000906.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO000906.txt @@ -18,7 +18,7 @@ CH$LINK: CAS 3646-68-2 CH$LINK: CHEBI CHEBI:17784 CH$LINK: KEGG C03752 CH$LINK: NIKKAJI J205.566J -CH$LINK: PUBCHEM SID:6511 +CH$LINK: PUBCHEM CID:73563 CH$LINK: INCHIKEY UFYKDFXCZBTLOO-TXICZTDVSA-N CH$LINK: COMPTOX DTXSID60878848 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO000907.txt b/Keio_Univ/MSBNK-Keio_Univ-KO000907.txt index 7306a2e46c3..3cc9f4a75c8 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO000907.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO000907.txt @@ -18,7 +18,7 @@ CH$LINK: CAS 3646-68-2 CH$LINK: CHEBI CHEBI:17784 CH$LINK: KEGG C03752 CH$LINK: NIKKAJI J205.566J -CH$LINK: PUBCHEM SID:6511 +CH$LINK: PUBCHEM CID:73563 CH$LINK: INCHIKEY UFYKDFXCZBTLOO-TXICZTDVSA-N CH$LINK: COMPTOX DTXSID60878848 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO000913.txt b/Keio_Univ/MSBNK-Keio_Univ-KO000913.txt index 4c959f5d24b..04eb45353b3 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO000913.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO000913.txt @@ -12,7 +12,7 @@ CH$EXACT_MASS: 259.04570 CH$SMILES: OCC(O1)C(O)C(O)C(N)C1OP(O)(O)=O CH$IUPAC: InChI=1S/C6H14NO8P/c7-3-5(10)4(9)2(1-8)14-6(3)15-16(11,12)13/h2-6,8-10H,1,7H2,(H2,11,12,13)/t2-,3-,4+,5-,6?/m1/s1 CH$LINK: KEGG C03783 -CH$LINK: PUBCHEM SID:6534 +CH$LINK: PUBCHEM CID:3036672 CH$LINK: INCHIKEY YMJBYRVFGYXULK-GASJEMHNSA-N CH$LINK: COMPTOX DTXSID30949296 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO000914.txt b/Keio_Univ/MSBNK-Keio_Univ-KO000914.txt index 5c1fb4a020d..6ecc8518a40 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO000914.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO000914.txt @@ -12,7 +12,7 @@ CH$EXACT_MASS: 259.04570 CH$SMILES: OCC(O1)C(O)C(O)C(N)C1OP(O)(O)=O CH$IUPAC: InChI=1S/C6H14NO8P/c7-3-5(10)4(9)2(1-8)14-6(3)15-16(11,12)13/h2-6,8-10H,1,7H2,(H2,11,12,13)/t2-,3-,4+,5-,6?/m1/s1 CH$LINK: KEGG C03783 -CH$LINK: PUBCHEM SID:6534 +CH$LINK: PUBCHEM CID:3036672 CH$LINK: INCHIKEY YMJBYRVFGYXULK-GASJEMHNSA-N CH$LINK: COMPTOX DTXSID30949296 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO000915.txt b/Keio_Univ/MSBNK-Keio_Univ-KO000915.txt index 3b217dd43cb..c5244a662ca 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO000915.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO000915.txt @@ -12,7 +12,7 @@ CH$EXACT_MASS: 259.04570 CH$SMILES: OCC(O1)C(O)C(O)C(N)C1OP(O)(O)=O CH$IUPAC: InChI=1S/C6H14NO8P/c7-3-5(10)4(9)2(1-8)14-6(3)15-16(11,12)13/h2-6,8-10H,1,7H2,(H2,11,12,13)/t2-,3-,4+,5-,6?/m1/s1 CH$LINK: KEGG C03783 -CH$LINK: PUBCHEM SID:6534 +CH$LINK: PUBCHEM CID:3036672 CH$LINK: INCHIKEY YMJBYRVFGYXULK-GASJEMHNSA-N CH$LINK: COMPTOX DTXSID30949296 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO000916.txt b/Keio_Univ/MSBNK-Keio_Univ-KO000916.txt index 3be8192438f..96714dae581 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO000916.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO000916.txt @@ -12,7 +12,7 @@ CH$EXACT_MASS: 259.04570 CH$SMILES: OCC(O1)C(O)C(O)C(N)C1OP(O)(O)=O CH$IUPAC: InChI=1S/C6H14NO8P/c7-3-5(10)4(9)2(1-8)14-6(3)15-16(11,12)13/h2-6,8-10H,1,7H2,(H2,11,12,13)/t2-,3-,4+,5-,6?/m1/s1 CH$LINK: KEGG C03783 -CH$LINK: PUBCHEM SID:6534 +CH$LINK: PUBCHEM CID:3036672 CH$LINK: INCHIKEY YMJBYRVFGYXULK-GASJEMHNSA-N CH$LINK: COMPTOX DTXSID30949296 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO000917.txt b/Keio_Univ/MSBNK-Keio_Univ-KO000917.txt index 6e28123e0aa..14774d6bbb5 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO000917.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO000917.txt @@ -12,7 +12,7 @@ CH$EXACT_MASS: 259.04570 CH$SMILES: OCC(O1)C(O)C(O)C(N)C1OP(O)(O)=O CH$IUPAC: InChI=1S/C6H14NO8P/c7-3-5(10)4(9)2(1-8)14-6(3)15-16(11,12)13/h2-6,8-10H,1,7H2,(H2,11,12,13)/t2-,3-,4+,5-,6?/m1/s1 CH$LINK: KEGG C03783 -CH$LINK: PUBCHEM SID:6534 +CH$LINK: PUBCHEM CID:3036672 CH$LINK: INCHIKEY YMJBYRVFGYXULK-GASJEMHNSA-N CH$LINK: COMPTOX DTXSID30949296 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO000918.txt b/Keio_Univ/MSBNK-Keio_Univ-KO000918.txt index 7752ac1a164..eb5c5fd7d8e 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO000918.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO000918.txt @@ -15,7 +15,7 @@ CH$SMILES: OC(=O)C(O1)C(O)C(O)C(O)C1OP(O)(O)=O CH$IUPAC: InChI=1S/C6H11O10P/c7-1-2(8)4(5(10)11)15-6(3(1)9)16-17(12,13)14/h1-4,6-9H,(H,10,11)(H2,12,13,14)/t1-,2+,3+,4-,6+/m0/s1 CH$LINK: CHEBI CHEBI:17543 CH$LINK: KEGG C04037 -CH$LINK: PUBCHEM SID:6740 +CH$LINK: PUBCHEM CID:440203 CH$LINK: INCHIKEY AIQDYKMWENWVQJ-DTEWXJGMSA-N AC$INSTRUMENT: API3000, Applied Biosystems AC$INSTRUMENT_TYPE: LC-ESI-QQ diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO000919.txt b/Keio_Univ/MSBNK-Keio_Univ-KO000919.txt index fa9bb4357cd..5ccfd52ac6a 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO000919.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO000919.txt @@ -15,7 +15,7 @@ CH$SMILES: OC(=O)C(O1)C(O)C(O)C(O)C1OP(O)(O)=O CH$IUPAC: InChI=1S/C6H11O10P/c7-1-2(8)4(5(10)11)15-6(3(1)9)16-17(12,13)14/h1-4,6-9H,(H,10,11)(H2,12,13,14)/t1-,2+,3+,4-,6+/m0/s1 CH$LINK: CHEBI CHEBI:17543 CH$LINK: KEGG C04037 -CH$LINK: PUBCHEM SID:6740 +CH$LINK: PUBCHEM CID:440203 CH$LINK: INCHIKEY AIQDYKMWENWVQJ-DTEWXJGMSA-N AC$INSTRUMENT: API3000, Applied Biosystems AC$INSTRUMENT_TYPE: LC-ESI-QQ diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO000920.txt b/Keio_Univ/MSBNK-Keio_Univ-KO000920.txt index 66f033cde03..ab2a63e9a81 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO000920.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO000920.txt @@ -15,7 +15,7 @@ CH$SMILES: OC(=O)C(O1)C(O)C(O)C(O)C1OP(O)(O)=O CH$IUPAC: InChI=1S/C6H11O10P/c7-1-2(8)4(5(10)11)15-6(3(1)9)16-17(12,13)14/h1-4,6-9H,(H,10,11)(H2,12,13,14)/t1-,2+,3+,4-,6+/m0/s1 CH$LINK: CHEBI CHEBI:17543 CH$LINK: KEGG C04037 -CH$LINK: PUBCHEM SID:6740 +CH$LINK: PUBCHEM CID:440203 CH$LINK: INCHIKEY AIQDYKMWENWVQJ-DTEWXJGMSA-N AC$INSTRUMENT: API3000, Applied Biosystems AC$INSTRUMENT_TYPE: LC-ESI-QQ diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO000921.txt b/Keio_Univ/MSBNK-Keio_Univ-KO000921.txt index 8d17148bc43..213f04f7d6b 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO000921.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO000921.txt @@ -15,7 +15,7 @@ CH$SMILES: OC(=O)C(O1)C(O)C(O)C(O)C1OP(O)(O)=O CH$IUPAC: InChI=1S/C6H11O10P/c7-1-2(8)4(5(10)11)15-6(3(1)9)16-17(12,13)14/h1-4,6-9H,(H,10,11)(H2,12,13,14)/t1-,2+,3+,4-,6+/m0/s1 CH$LINK: CHEBI CHEBI:17543 CH$LINK: KEGG C04037 -CH$LINK: PUBCHEM SID:6740 +CH$LINK: PUBCHEM CID:440203 CH$LINK: INCHIKEY AIQDYKMWENWVQJ-DTEWXJGMSA-N AC$INSTRUMENT: API3000, Applied Biosystems AC$INSTRUMENT_TYPE: LC-ESI-QQ diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO000922.txt b/Keio_Univ/MSBNK-Keio_Univ-KO000922.txt index 27fed9f4d05..70567301aa1 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO000922.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO000922.txt @@ -15,7 +15,7 @@ CH$SMILES: OC(=O)C(O1)C(O)C(O)C(O)C1OP(O)(O)=O CH$IUPAC: InChI=1S/C6H11O10P/c7-1-2(8)4(5(10)11)15-6(3(1)9)16-17(12,13)14/h1-4,6-9H,(H,10,11)(H2,12,13,14)/t1-,2+,3+,4-,6+/m0/s1 CH$LINK: CHEBI CHEBI:17543 CH$LINK: KEGG C04037 -CH$LINK: PUBCHEM SID:6740 +CH$LINK: PUBCHEM CID:440203 CH$LINK: INCHIKEY AIQDYKMWENWVQJ-DTEWXJGMSA-N AC$INSTRUMENT: API3000, Applied Biosystems AC$INSTRUMENT_TYPE: LC-ESI-QQ diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO000923.txt b/Keio_Univ/MSBNK-Keio_Univ-KO000923.txt index 6d1d019be4d..2346fd899e2 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO000923.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO000923.txt @@ -15,7 +15,7 @@ CH$IUPAC: InChI=1S/C8H16N2O3/c1-5(2)3-6(8(12)13)10-7(11)4-9/h5-6H,3-4,9H2,1-2H3, CH$LINK: CAS 869-19-2 CH$LINK: KEGG C02155 CH$LINK: NIKKAJI J150.139I -CH$LINK: PUBCHEM SID:5232 +CH$LINK: PUBCHEM CID:92843 CH$LINK: INCHIKEY DKEXFJVMVGETOO-LURJTMIESA-N AC$INSTRUMENT: API3000, Applied Biosystems AC$INSTRUMENT_TYPE: LC-ESI-QQ diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO000924.txt b/Keio_Univ/MSBNK-Keio_Univ-KO000924.txt index 7cbd15df328..0a50699fb4c 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO000924.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO000924.txt @@ -15,7 +15,7 @@ CH$IUPAC: InChI=1S/C8H16N2O3/c1-5(2)3-6(8(12)13)10-7(11)4-9/h5-6H,3-4,9H2,1-2H3, CH$LINK: CAS 869-19-2 CH$LINK: KEGG C02155 CH$LINK: NIKKAJI J150.139I -CH$LINK: PUBCHEM SID:5232 +CH$LINK: PUBCHEM CID:92843 CH$LINK: INCHIKEY DKEXFJVMVGETOO-LURJTMIESA-N AC$INSTRUMENT: API3000, Applied Biosystems AC$INSTRUMENT_TYPE: LC-ESI-QQ diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO000925.txt b/Keio_Univ/MSBNK-Keio_Univ-KO000925.txt index 502e81e1c69..def9b1d569f 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO000925.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO000925.txt @@ -15,7 +15,7 @@ CH$IUPAC: InChI=1S/C8H16N2O3/c1-5(2)3-6(8(12)13)10-7(11)4-9/h5-6H,3-4,9H2,1-2H3, CH$LINK: CAS 869-19-2 CH$LINK: KEGG C02155 CH$LINK: NIKKAJI J150.139I -CH$LINK: PUBCHEM SID:5232 +CH$LINK: PUBCHEM CID:92843 CH$LINK: INCHIKEY DKEXFJVMVGETOO-LURJTMIESA-N AC$INSTRUMENT: API3000, Applied Biosystems AC$INSTRUMENT_TYPE: LC-ESI-QQ diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO000926.txt b/Keio_Univ/MSBNK-Keio_Univ-KO000926.txt index d0f0806a76a..cbcbbefc478 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO000926.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO000926.txt @@ -15,7 +15,7 @@ CH$IUPAC: InChI=1S/C8H16N2O3/c1-5(2)3-6(8(12)13)10-7(11)4-9/h5-6H,3-4,9H2,1-2H3, CH$LINK: CAS 869-19-2 CH$LINK: KEGG C02155 CH$LINK: NIKKAJI J150.139I -CH$LINK: PUBCHEM SID:5232 +CH$LINK: PUBCHEM CID:92843 CH$LINK: INCHIKEY DKEXFJVMVGETOO-LURJTMIESA-N AC$INSTRUMENT: API3000, Applied Biosystems AC$INSTRUMENT_TYPE: LC-ESI-QQ diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO000927.txt b/Keio_Univ/MSBNK-Keio_Univ-KO000927.txt index 557a7176940..f75cd322370 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO000927.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO000927.txt @@ -15,7 +15,7 @@ CH$IUPAC: InChI=1S/C8H16N2O3/c1-5(2)3-6(8(12)13)10-7(11)4-9/h5-6H,3-4,9H2,1-2H3, CH$LINK: CAS 869-19-2 CH$LINK: KEGG C02155 CH$LINK: NIKKAJI J150.139I -CH$LINK: PUBCHEM SID:5232 +CH$LINK: PUBCHEM CID:92843 CH$LINK: INCHIKEY DKEXFJVMVGETOO-LURJTMIESA-N AC$INSTRUMENT: API3000, Applied Biosystems AC$INSTRUMENT_TYPE: LC-ESI-QQ diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO000933.txt b/Keio_Univ/MSBNK-Keio_Univ-KO000933.txt index e8ea1cd1e44..86d676a5b5c 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO000933.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO000933.txt @@ -15,7 +15,7 @@ CH$IUPAC: InChI=1S/C30H46O4/c1-25(2)21-8-11-30(7)23(28(21,5)10-9-22(25)32)20(31) CH$LINK: CAS 1449-05-4 471-53-4 CH$LINK: CHEBI CHEBI:30853 CH$LINK: KEGG C02283 -CH$LINK: PUBCHEM SID:5340 +CH$LINK: PUBCHEM CID:10114 CH$LINK: INCHIKEY MPDGHEJMBKOTSU-YKLVYJNSSA-N CH$LINK: COMPTOX DTXSID9020669 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO000934.txt b/Keio_Univ/MSBNK-Keio_Univ-KO000934.txt index 00c446a08a9..ee804c6afdf 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO000934.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO000934.txt @@ -15,7 +15,7 @@ CH$IUPAC: InChI=1S/C30H46O4/c1-25(2)21-8-11-30(7)23(28(21,5)10-9-22(25)32)20(31) CH$LINK: CAS 1449-05-4 471-53-4 CH$LINK: CHEBI CHEBI:30853 CH$LINK: KEGG C02283 -CH$LINK: PUBCHEM SID:5340 +CH$LINK: PUBCHEM CID:10114 CH$LINK: INCHIKEY MPDGHEJMBKOTSU-YKLVYJNSSA-N CH$LINK: COMPTOX DTXSID9020669 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO000935.txt b/Keio_Univ/MSBNK-Keio_Univ-KO000935.txt index 7bd8456ac2d..5d468c14444 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO000935.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO000935.txt @@ -15,7 +15,7 @@ CH$IUPAC: InChI=1S/C30H46O4/c1-25(2)21-8-11-30(7)23(28(21,5)10-9-22(25)32)20(31) CH$LINK: CAS 1449-05-4 471-53-4 CH$LINK: CHEBI CHEBI:30853 CH$LINK: KEGG C02283 -CH$LINK: PUBCHEM SID:5340 +CH$LINK: PUBCHEM CID:10114 CH$LINK: INCHIKEY MPDGHEJMBKOTSU-YKLVYJNSSA-N CH$LINK: COMPTOX DTXSID9020669 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO000936.txt b/Keio_Univ/MSBNK-Keio_Univ-KO000936.txt index 29d9b9c177b..1a7f3a7a1c9 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO000936.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO000936.txt @@ -15,7 +15,7 @@ CH$IUPAC: InChI=1S/C30H46O4/c1-25(2)21-8-11-30(7)23(28(21,5)10-9-22(25)32)20(31) CH$LINK: CAS 1449-05-4 471-53-4 CH$LINK: CHEBI CHEBI:30853 CH$LINK: KEGG C02283 -CH$LINK: PUBCHEM SID:5340 +CH$LINK: PUBCHEM CID:10114 CH$LINK: INCHIKEY MPDGHEJMBKOTSU-YKLVYJNSSA-N CH$LINK: COMPTOX DTXSID9020669 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO000937.txt b/Keio_Univ/MSBNK-Keio_Univ-KO000937.txt index be1fb31c507..d886fe4ebcc 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO000937.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO000937.txt @@ -15,7 +15,7 @@ CH$IUPAC: InChI=1S/C30H46O4/c1-25(2)21-8-11-30(7)23(28(21,5)10-9-22(25)32)20(31) CH$LINK: CAS 1449-05-4 471-53-4 CH$LINK: CHEBI CHEBI:30853 CH$LINK: KEGG C02283 -CH$LINK: PUBCHEM SID:5340 +CH$LINK: PUBCHEM CID:10114 CH$LINK: INCHIKEY MPDGHEJMBKOTSU-YKLVYJNSSA-N CH$LINK: COMPTOX DTXSID9020669 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO000943.txt b/Keio_Univ/MSBNK-Keio_Univ-KO000943.txt index 312fcae993e..5554827736a 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO000943.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO000943.txt @@ -14,7 +14,7 @@ CH$IUPAC: InChI=1S/C8H9N5/c9-7(10)13-8-11-5-3-1-2-4-6(5)12-8/h1-4H,(H5,9,10,11,1 CH$LINK: CAS 5418-95-1 CH$LINK: KEGG C10898 CH$LINK: NIKKAJI J217.997K -CH$LINK: PUBCHEM SID:13081 +CH$LINK: PUBCHEM CID:36149 CH$LINK: INCHIKEY JJWCTKUQWXYIIU-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID6063858 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO000944.txt b/Keio_Univ/MSBNK-Keio_Univ-KO000944.txt index 6a0ba1070a7..1afad51bc11 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO000944.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO000944.txt @@ -14,7 +14,7 @@ CH$IUPAC: InChI=1S/C8H9N5/c9-7(10)13-8-11-5-3-1-2-4-6(5)12-8/h1-4H,(H5,9,10,11,1 CH$LINK: CAS 5418-95-1 CH$LINK: KEGG C10898 CH$LINK: NIKKAJI J217.997K -CH$LINK: PUBCHEM SID:13081 +CH$LINK: PUBCHEM CID:36149 CH$LINK: INCHIKEY JJWCTKUQWXYIIU-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID6063858 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO000945.txt b/Keio_Univ/MSBNK-Keio_Univ-KO000945.txt index f2b6c1e17dc..86ebe9969da 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO000945.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO000945.txt @@ -14,7 +14,7 @@ CH$IUPAC: InChI=1S/C8H9N5/c9-7(10)13-8-11-5-3-1-2-4-6(5)12-8/h1-4H,(H5,9,10,11,1 CH$LINK: CAS 5418-95-1 CH$LINK: KEGG C10898 CH$LINK: NIKKAJI J217.997K -CH$LINK: PUBCHEM SID:13081 +CH$LINK: PUBCHEM CID:36149 CH$LINK: INCHIKEY JJWCTKUQWXYIIU-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID6063858 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO000946.txt b/Keio_Univ/MSBNK-Keio_Univ-KO000946.txt index 1fb4f9a751a..4f0dc3a986a 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO000946.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO000946.txt @@ -14,7 +14,7 @@ CH$IUPAC: InChI=1S/C8H9N5/c9-7(10)13-8-11-5-3-1-2-4-6(5)12-8/h1-4H,(H5,9,10,11,1 CH$LINK: CAS 5418-95-1 CH$LINK: KEGG C10898 CH$LINK: NIKKAJI J217.997K -CH$LINK: PUBCHEM SID:13081 +CH$LINK: PUBCHEM CID:36149 CH$LINK: INCHIKEY JJWCTKUQWXYIIU-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID6063858 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO000947.txt b/Keio_Univ/MSBNK-Keio_Univ-KO000947.txt index 9f1025c5636..989858fc634 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO000947.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO000947.txt @@ -14,7 +14,7 @@ CH$IUPAC: InChI=1S/C8H9N5/c9-7(10)13-8-11-5-3-1-2-4-6(5)12-8/h1-4H,(H5,9,10,11,1 CH$LINK: CAS 5418-95-1 CH$LINK: KEGG C10898 CH$LINK: NIKKAJI J217.997K -CH$LINK: PUBCHEM SID:13081 +CH$LINK: PUBCHEM CID:36149 CH$LINK: INCHIKEY JJWCTKUQWXYIIU-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID6063858 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO000948.txt b/Keio_Univ/MSBNK-Keio_Univ-KO000948.txt index ac84a3a5550..697ceb38409 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO000948.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO000948.txt @@ -19,7 +19,7 @@ CH$LINK: CAS 59-56-3 CH$LINK: CHEBI CHEBI:16077 CH$LINK: KEGG C00103 CH$LINK: NIKKAJI J40.065C -CH$LINK: PUBCHEM SID:3403 +CH$LINK: PUBCHEM CID:65533 CH$LINK: INCHIKEY HXXFSFRBOHSIMQ-VFUOTHLCSA-N CH$LINK: COMPTOX DTXSID90889321 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO000949.txt b/Keio_Univ/MSBNK-Keio_Univ-KO000949.txt index 427e1570747..31e69140dab 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO000949.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO000949.txt @@ -19,7 +19,7 @@ CH$LINK: CAS 59-56-3 CH$LINK: CHEBI CHEBI:16077 CH$LINK: KEGG C00103 CH$LINK: NIKKAJI J40.065C -CH$LINK: PUBCHEM SID:3403 +CH$LINK: PUBCHEM CID:65533 CH$LINK: INCHIKEY HXXFSFRBOHSIMQ-VFUOTHLCSA-N CH$LINK: COMPTOX DTXSID90889321 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO000950.txt b/Keio_Univ/MSBNK-Keio_Univ-KO000950.txt index 1b2ea4d7798..4e2185adc7e 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO000950.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO000950.txt @@ -19,7 +19,7 @@ CH$LINK: CAS 59-56-3 CH$LINK: CHEBI CHEBI:16077 CH$LINK: KEGG C00103 CH$LINK: NIKKAJI J40.065C -CH$LINK: PUBCHEM SID:3403 +CH$LINK: PUBCHEM CID:65533 CH$LINK: INCHIKEY HXXFSFRBOHSIMQ-VFUOTHLCSA-N CH$LINK: COMPTOX DTXSID90889321 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO000951.txt b/Keio_Univ/MSBNK-Keio_Univ-KO000951.txt index a5b00b2098a..9a70d0fa5da 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO000951.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO000951.txt @@ -19,7 +19,7 @@ CH$LINK: CAS 59-56-3 CH$LINK: CHEBI CHEBI:16077 CH$LINK: KEGG C00103 CH$LINK: NIKKAJI J40.065C -CH$LINK: PUBCHEM SID:3403 +CH$LINK: PUBCHEM CID:65533 CH$LINK: INCHIKEY HXXFSFRBOHSIMQ-VFUOTHLCSA-N CH$LINK: COMPTOX DTXSID90889321 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO000952.txt b/Keio_Univ/MSBNK-Keio_Univ-KO000952.txt index 89dfc78f420..b9f44b7e076 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO000952.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO000952.txt @@ -19,7 +19,7 @@ CH$LINK: CAS 59-56-3 CH$LINK: CHEBI CHEBI:16077 CH$LINK: KEGG C00103 CH$LINK: NIKKAJI J40.065C -CH$LINK: PUBCHEM SID:3403 +CH$LINK: PUBCHEM CID:65533 CH$LINK: INCHIKEY HXXFSFRBOHSIMQ-VFUOTHLCSA-N CH$LINK: COMPTOX DTXSID90889321 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO000953.txt b/Keio_Univ/MSBNK-Keio_Univ-KO000953.txt index f792f587dc8..1df89012b7d 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO000953.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO000953.txt @@ -15,7 +15,7 @@ CH$IUPAC: InChI=1S/C16H22N6O4/c17-14(24)12-2-1-5-22(12)16(26)11(6-9-7-18-8-19-9) CH$LINK: CAS 24305-27-9 CH$LINK: KEGG C03958 CH$LINK: NIKKAJI J3.473H -CH$LINK: PUBCHEM SID:6679 +CH$LINK: PUBCHEM CID:638678 CH$LINK: INCHIKEY XNSAINXGIQZQOO-SRVKXCTJSA-N CH$LINK: COMPTOX DTXSID0023533 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO000954.txt b/Keio_Univ/MSBNK-Keio_Univ-KO000954.txt index 85fddb47e51..36b7ceb165d 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO000954.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO000954.txt @@ -15,7 +15,7 @@ CH$IUPAC: InChI=1S/C16H22N6O4/c17-14(24)12-2-1-5-22(12)16(26)11(6-9-7-18-8-19-9) CH$LINK: CAS 24305-27-9 CH$LINK: KEGG C03958 CH$LINK: NIKKAJI J3.473H -CH$LINK: PUBCHEM SID:6679 +CH$LINK: PUBCHEM CID:638678 CH$LINK: INCHIKEY XNSAINXGIQZQOO-SRVKXCTJSA-N CH$LINK: COMPTOX DTXSID0023533 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO000955.txt b/Keio_Univ/MSBNK-Keio_Univ-KO000955.txt index 3fb3610f773..eac8994a3ee 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO000955.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO000955.txt @@ -15,7 +15,7 @@ CH$IUPAC: InChI=1S/C16H22N6O4/c17-14(24)12-2-1-5-22(12)16(26)11(6-9-7-18-8-19-9) CH$LINK: CAS 24305-27-9 CH$LINK: KEGG C03958 CH$LINK: NIKKAJI J3.473H -CH$LINK: PUBCHEM SID:6679 +CH$LINK: PUBCHEM CID:638678 CH$LINK: INCHIKEY XNSAINXGIQZQOO-SRVKXCTJSA-N CH$LINK: COMPTOX DTXSID0023533 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO000956.txt b/Keio_Univ/MSBNK-Keio_Univ-KO000956.txt index 10fef89d047..84ab6b56a9d 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO000956.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO000956.txt @@ -15,7 +15,7 @@ CH$IUPAC: InChI=1S/C16H22N6O4/c17-14(24)12-2-1-5-22(12)16(26)11(6-9-7-18-8-19-9) CH$LINK: CAS 24305-27-9 CH$LINK: KEGG C03958 CH$LINK: NIKKAJI J3.473H -CH$LINK: PUBCHEM SID:6679 +CH$LINK: PUBCHEM CID:638678 CH$LINK: INCHIKEY XNSAINXGIQZQOO-SRVKXCTJSA-N CH$LINK: COMPTOX DTXSID0023533 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO000957.txt b/Keio_Univ/MSBNK-Keio_Univ-KO000957.txt index 771cee9a373..3766a8fe025 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO000957.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO000957.txt @@ -15,7 +15,7 @@ CH$IUPAC: InChI=1S/C16H22N6O4/c17-14(24)12-2-1-5-22(12)16(26)11(6-9-7-18-8-19-9) CH$LINK: CAS 24305-27-9 CH$LINK: KEGG C03958 CH$LINK: NIKKAJI J3.473H -CH$LINK: PUBCHEM SID:6679 +CH$LINK: PUBCHEM CID:638678 CH$LINK: INCHIKEY XNSAINXGIQZQOO-SRVKXCTJSA-N CH$LINK: COMPTOX DTXSID0023533 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO000958.txt b/Keio_Univ/MSBNK-Keio_Univ-KO000958.txt index d8d870cf01d..ea463060d0d 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO000958.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO000958.txt @@ -17,7 +17,7 @@ CH$LINK: CHEBI CHEBI:15971 CH$LINK: CHEMPDB HIS CH$LINK: KEGG C00135 CH$LINK: NIKKAJI J4.881J -CH$LINK: PUBCHEM SID:3435 +CH$LINK: PUBCHEM CID:6274 CH$LINK: INCHIKEY HNDVDQJCIGZPNO-YFKPBYRVSA-N CH$LINK: COMPTOX DTXSID9023126 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO000959.txt b/Keio_Univ/MSBNK-Keio_Univ-KO000959.txt index 85a82c177fa..427672dc62b 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO000959.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO000959.txt @@ -17,7 +17,7 @@ CH$LINK: CHEBI CHEBI:15971 CH$LINK: CHEMPDB HIS CH$LINK: KEGG C00135 CH$LINK: NIKKAJI J4.881J -CH$LINK: PUBCHEM SID:3435 +CH$LINK: PUBCHEM CID:6274 CH$LINK: INCHIKEY HNDVDQJCIGZPNO-YFKPBYRVSA-N CH$LINK: COMPTOX DTXSID9023126 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO000960.txt b/Keio_Univ/MSBNK-Keio_Univ-KO000960.txt index 806b605a863..23a9e184b61 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO000960.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO000960.txt @@ -17,7 +17,7 @@ CH$LINK: CHEBI CHEBI:15971 CH$LINK: CHEMPDB HIS CH$LINK: KEGG C00135 CH$LINK: NIKKAJI J4.881J -CH$LINK: PUBCHEM SID:3435 +CH$LINK: PUBCHEM CID:6274 CH$LINK: INCHIKEY HNDVDQJCIGZPNO-YFKPBYRVSA-N CH$LINK: COMPTOX DTXSID9023126 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO000961.txt b/Keio_Univ/MSBNK-Keio_Univ-KO000961.txt index 0a64bc422c8..32215ba3ae7 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO000961.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO000961.txt @@ -17,7 +17,7 @@ CH$LINK: CHEBI CHEBI:15971 CH$LINK: CHEMPDB HIS CH$LINK: KEGG C00135 CH$LINK: NIKKAJI J4.881J -CH$LINK: PUBCHEM SID:3435 +CH$LINK: PUBCHEM CID:6274 CH$LINK: INCHIKEY HNDVDQJCIGZPNO-YFKPBYRVSA-N CH$LINK: COMPTOX DTXSID9023126 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO000962.txt b/Keio_Univ/MSBNK-Keio_Univ-KO000962.txt index 93dcf10663d..160f294c07d 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO000962.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO000962.txt @@ -17,7 +17,7 @@ CH$LINK: CHEBI CHEBI:15971 CH$LINK: CHEMPDB HIS CH$LINK: KEGG C00135 CH$LINK: NIKKAJI J4.881J -CH$LINK: PUBCHEM SID:3435 +CH$LINK: PUBCHEM CID:6274 CH$LINK: INCHIKEY HNDVDQJCIGZPNO-YFKPBYRVSA-N CH$LINK: COMPTOX DTXSID9023126 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO000963.txt b/Keio_Univ/MSBNK-Keio_Univ-KO000963.txt index 75a2431241a..de76a56fc6a 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO000963.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO000963.txt @@ -19,7 +19,7 @@ CH$LINK: CHEBI CHEBI:30763 CH$LINK: CHEMPDB PHB CH$LINK: KEGG C00156 CH$LINK: NIKKAJI J43.201F -CH$LINK: PUBCHEM SID:3456 +CH$LINK: PUBCHEM CID:135 CH$LINK: INCHIKEY FJKROLUGYXJWQN-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID3026647 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO000964.txt b/Keio_Univ/MSBNK-Keio_Univ-KO000964.txt index 2d53536b904..1aeb6a50566 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO000964.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO000964.txt @@ -19,7 +19,7 @@ CH$LINK: CHEBI CHEBI:30763 CH$LINK: CHEMPDB PHB CH$LINK: KEGG C00156 CH$LINK: NIKKAJI J43.201F -CH$LINK: PUBCHEM SID:3456 +CH$LINK: PUBCHEM CID:135 CH$LINK: INCHIKEY FJKROLUGYXJWQN-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID3026647 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO000965.txt b/Keio_Univ/MSBNK-Keio_Univ-KO000965.txt index 258c2c958f2..8f5098cbc7f 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO000965.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO000965.txt @@ -19,7 +19,7 @@ CH$LINK: CHEBI CHEBI:30763 CH$LINK: CHEMPDB PHB CH$LINK: KEGG C00156 CH$LINK: NIKKAJI J43.201F -CH$LINK: PUBCHEM SID:3456 +CH$LINK: PUBCHEM CID:135 CH$LINK: INCHIKEY FJKROLUGYXJWQN-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID3026647 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO000966.txt b/Keio_Univ/MSBNK-Keio_Univ-KO000966.txt index 2efe76617f9..2f28de4ba3d 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO000966.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO000966.txt @@ -19,7 +19,7 @@ CH$LINK: CHEBI CHEBI:30763 CH$LINK: CHEMPDB PHB CH$LINK: KEGG C00156 CH$LINK: NIKKAJI J43.201F -CH$LINK: PUBCHEM SID:3456 +CH$LINK: PUBCHEM CID:135 CH$LINK: INCHIKEY FJKROLUGYXJWQN-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID3026647 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO000967.txt b/Keio_Univ/MSBNK-Keio_Univ-KO000967.txt index a680e695741..b83ff798290 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO000967.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO000967.txt @@ -19,7 +19,7 @@ CH$LINK: CHEBI CHEBI:30763 CH$LINK: CHEMPDB PHB CH$LINK: KEGG C00156 CH$LINK: NIKKAJI J43.201F -CH$LINK: PUBCHEM SID:3456 +CH$LINK: PUBCHEM CID:135 CH$LINK: INCHIKEY FJKROLUGYXJWQN-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID3026647 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO000968.txt b/Keio_Univ/MSBNK-Keio_Univ-KO000968.txt index 100a12df389..d7aa98a4d26 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO000968.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO000968.txt @@ -16,7 +16,7 @@ CH$LINK: CAS 156-38-7 CH$LINK: CHEBI CHEBI:18101 CH$LINK: KEGG C00642 CH$LINK: NIKKAJI J5.873D -CH$LINK: PUBCHEM SID:3915 +CH$LINK: PUBCHEM CID:127 CH$LINK: INCHIKEY XQXPVVBIMDBYFF-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID5059745 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO000969.txt b/Keio_Univ/MSBNK-Keio_Univ-KO000969.txt index fbff7048e15..0f15c2388d2 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO000969.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO000969.txt @@ -16,7 +16,7 @@ CH$LINK: CAS 156-38-7 CH$LINK: CHEBI CHEBI:18101 CH$LINK: KEGG C00642 CH$LINK: NIKKAJI J5.873D -CH$LINK: PUBCHEM SID:3915 +CH$LINK: PUBCHEM CID:127 CH$LINK: INCHIKEY XQXPVVBIMDBYFF-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID5059745 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO000970.txt b/Keio_Univ/MSBNK-Keio_Univ-KO000970.txt index 413a9e10dc6..0cc2d8414f5 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO000970.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO000970.txt @@ -16,7 +16,7 @@ CH$LINK: CAS 156-38-7 CH$LINK: CHEBI CHEBI:18101 CH$LINK: KEGG C00642 CH$LINK: NIKKAJI J5.873D -CH$LINK: PUBCHEM SID:3915 +CH$LINK: PUBCHEM CID:127 CH$LINK: INCHIKEY XQXPVVBIMDBYFF-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID5059745 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO000971.txt b/Keio_Univ/MSBNK-Keio_Univ-KO000971.txt index f7c3e280904..5f0a47d9a48 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO000971.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO000971.txt @@ -16,7 +16,7 @@ CH$LINK: CAS 156-38-7 CH$LINK: CHEBI CHEBI:18101 CH$LINK: KEGG C00642 CH$LINK: NIKKAJI J5.873D -CH$LINK: PUBCHEM SID:3915 +CH$LINK: PUBCHEM CID:127 CH$LINK: INCHIKEY XQXPVVBIMDBYFF-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID5059745 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO000972.txt b/Keio_Univ/MSBNK-Keio_Univ-KO000972.txt index d9ffb4f73a3..843e4cf3193 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO000972.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO000972.txt @@ -16,7 +16,7 @@ CH$LINK: CAS 156-38-7 CH$LINK: CHEBI CHEBI:18101 CH$LINK: KEGG C00642 CH$LINK: NIKKAJI J5.873D -CH$LINK: PUBCHEM SID:3915 +CH$LINK: PUBCHEM CID:127 CH$LINK: INCHIKEY XQXPVVBIMDBYFF-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID5059745 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO000973.txt b/Keio_Univ/MSBNK-Keio_Univ-KO000973.txt index 0dc36785637..780868636f8 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO000973.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO000973.txt @@ -16,7 +16,7 @@ CH$SMILES: OC(=O)C(=O)Cc(c1)ccc(O)c1 CH$IUPAC: InChI=1S/C9H8O4/c10-7-3-1-6(2-4-7)5-8(11)9(12)13/h1-4,10H,5H2,(H,12,13) CH$LINK: CHEBI CHEBI:15999 CH$LINK: KEGG C01179 -CH$LINK: PUBCHEM SID:4406 +CH$LINK: PUBCHEM CID:979 CH$LINK: INCHIKEY KKADPXVIOXHVKN-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID80166017 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO000974.txt b/Keio_Univ/MSBNK-Keio_Univ-KO000974.txt index 845441ea529..43e1793c132 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO000974.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO000974.txt @@ -16,7 +16,7 @@ CH$SMILES: OC(=O)C(=O)Cc(c1)ccc(O)c1 CH$IUPAC: InChI=1S/C9H8O4/c10-7-3-1-6(2-4-7)5-8(11)9(12)13/h1-4,10H,5H2,(H,12,13) CH$LINK: CHEBI CHEBI:15999 CH$LINK: KEGG C01179 -CH$LINK: PUBCHEM SID:4406 +CH$LINK: PUBCHEM CID:979 CH$LINK: INCHIKEY KKADPXVIOXHVKN-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID80166017 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO000975.txt b/Keio_Univ/MSBNK-Keio_Univ-KO000975.txt index d86387b52a6..679d52bb7e1 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO000975.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO000975.txt @@ -16,7 +16,7 @@ CH$SMILES: OC(=O)C(=O)Cc(c1)ccc(O)c1 CH$IUPAC: InChI=1S/C9H8O4/c10-7-3-1-6(2-4-7)5-8(11)9(12)13/h1-4,10H,5H2,(H,12,13) CH$LINK: CHEBI CHEBI:15999 CH$LINK: KEGG C01179 -CH$LINK: PUBCHEM SID:4406 +CH$LINK: PUBCHEM CID:979 CH$LINK: INCHIKEY KKADPXVIOXHVKN-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID80166017 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO000976.txt b/Keio_Univ/MSBNK-Keio_Univ-KO000976.txt index 2dc498ca20b..87cc4db6c2f 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO000976.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO000976.txt @@ -16,7 +16,7 @@ CH$SMILES: OC(=O)C(=O)Cc(c1)ccc(O)c1 CH$IUPAC: InChI=1S/C9H8O4/c10-7-3-1-6(2-4-7)5-8(11)9(12)13/h1-4,10H,5H2,(H,12,13) CH$LINK: CHEBI CHEBI:15999 CH$LINK: KEGG C01179 -CH$LINK: PUBCHEM SID:4406 +CH$LINK: PUBCHEM CID:979 CH$LINK: INCHIKEY KKADPXVIOXHVKN-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID80166017 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO000977.txt b/Keio_Univ/MSBNK-Keio_Univ-KO000977.txt index 9ffd5294752..709eb20333e 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO000977.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO000977.txt @@ -16,7 +16,7 @@ CH$SMILES: OC(=O)C(=O)Cc(c1)ccc(O)c1 CH$IUPAC: InChI=1S/C9H8O4/c10-7-3-1-6(2-4-7)5-8(11)9(12)13/h1-4,10H,5H2,(H,12,13) CH$LINK: CHEBI CHEBI:15999 CH$LINK: KEGG C01179 -CH$LINK: PUBCHEM SID:4406 +CH$LINK: PUBCHEM CID:979 CH$LINK: INCHIKEY KKADPXVIOXHVKN-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID80166017 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO000978.txt b/Keio_Univ/MSBNK-Keio_Univ-KO000978.txt index 9438016a7ae..a7ead301a3f 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO000978.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO000978.txt @@ -16,7 +16,7 @@ CH$IUPAC: InChI=1S/C10H16N4O3/c11-3-1-2-9(15)14-8(10(16)17)4-7-5-12-6-13-7/h5-6, CH$LINK: CAS 3650-73-5 CH$LINK: KEGG C00884 CH$LINK: NIKKAJI J14.557B -CH$LINK: PUBCHEM SID:4140 +CH$LINK: PUBCHEM CID:10243361 CH$LINK: INCHIKEY CCLQKVKJOGVQLU-QMMMGPOBSA-N CH$LINK: COMPTOX DTXSID50942461 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO000979.txt b/Keio_Univ/MSBNK-Keio_Univ-KO000979.txt index 075c0876673..1d4e0b7bece 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO000979.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO000979.txt @@ -16,7 +16,7 @@ CH$IUPAC: InChI=1S/C10H16N4O3/c11-3-1-2-9(15)14-8(10(16)17)4-7-5-12-6-13-7/h5-6, CH$LINK: CAS 3650-73-5 CH$LINK: KEGG C00884 CH$LINK: NIKKAJI J14.557B -CH$LINK: PUBCHEM SID:4140 +CH$LINK: PUBCHEM CID:10243361 CH$LINK: INCHIKEY CCLQKVKJOGVQLU-QMMMGPOBSA-N CH$LINK: COMPTOX DTXSID50942461 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO000980.txt b/Keio_Univ/MSBNK-Keio_Univ-KO000980.txt index 8fad85f7a5b..ea61a967d86 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO000980.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO000980.txt @@ -16,7 +16,7 @@ CH$IUPAC: InChI=1S/C10H16N4O3/c11-3-1-2-9(15)14-8(10(16)17)4-7-5-12-6-13-7/h5-6, CH$LINK: CAS 3650-73-5 CH$LINK: KEGG C00884 CH$LINK: NIKKAJI J14.557B -CH$LINK: PUBCHEM SID:4140 +CH$LINK: PUBCHEM CID:10243361 CH$LINK: INCHIKEY CCLQKVKJOGVQLU-QMMMGPOBSA-N CH$LINK: COMPTOX DTXSID50942461 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO000981.txt b/Keio_Univ/MSBNK-Keio_Univ-KO000981.txt index 88bb2a5ba6c..a7da9c8b4d1 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO000981.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO000981.txt @@ -16,7 +16,7 @@ CH$IUPAC: InChI=1S/C10H16N4O3/c11-3-1-2-9(15)14-8(10(16)17)4-7-5-12-6-13-7/h5-6, CH$LINK: CAS 3650-73-5 CH$LINK: KEGG C00884 CH$LINK: NIKKAJI J14.557B -CH$LINK: PUBCHEM SID:4140 +CH$LINK: PUBCHEM CID:10243361 CH$LINK: INCHIKEY CCLQKVKJOGVQLU-QMMMGPOBSA-N CH$LINK: COMPTOX DTXSID50942461 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO000982.txt b/Keio_Univ/MSBNK-Keio_Univ-KO000982.txt index c1eff1b48ff..faec8d15c6e 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO000982.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO000982.txt @@ -16,7 +16,7 @@ CH$IUPAC: InChI=1S/C10H16N4O3/c11-3-1-2-9(15)14-8(10(16)17)4-7-5-12-6-13-7/h5-6, CH$LINK: CAS 3650-73-5 CH$LINK: KEGG C00884 CH$LINK: NIKKAJI J14.557B -CH$LINK: PUBCHEM SID:4140 +CH$LINK: PUBCHEM CID:10243361 CH$LINK: INCHIKEY CCLQKVKJOGVQLU-QMMMGPOBSA-N CH$LINK: COMPTOX DTXSID50942461 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO000983.txt b/Keio_Univ/MSBNK-Keio_Univ-KO000983.txt index bc140e77ea5..87945f97822 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO000983.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO000983.txt @@ -16,7 +16,7 @@ CH$LINK: CHEBI CHEBI:17368 CH$LINK: CHEMPDB HPA CH$LINK: KEGG C00262 CH$LINK: NIKKAJI J1.934H -CH$LINK: PUBCHEM SID:3560 +CH$LINK: PUBCHEM CID:135398638 CH$LINK: INCHIKEY FDGQSTZJBFJUBT-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID8045983 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO000984.txt b/Keio_Univ/MSBNK-Keio_Univ-KO000984.txt index a4a821bec53..01caa8a1a24 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO000984.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO000984.txt @@ -16,7 +16,7 @@ CH$LINK: CHEBI CHEBI:17368 CH$LINK: CHEMPDB HPA CH$LINK: KEGG C00262 CH$LINK: NIKKAJI J1.934H -CH$LINK: PUBCHEM SID:3560 +CH$LINK: PUBCHEM CID:135398638 CH$LINK: INCHIKEY FDGQSTZJBFJUBT-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID8045983 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO000985.txt b/Keio_Univ/MSBNK-Keio_Univ-KO000985.txt index 666c0f5bd74..53d8ffbf3dc 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO000985.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO000985.txt @@ -16,7 +16,7 @@ CH$LINK: CHEBI CHEBI:17368 CH$LINK: CHEMPDB HPA CH$LINK: KEGG C00262 CH$LINK: NIKKAJI J1.934H -CH$LINK: PUBCHEM SID:3560 +CH$LINK: PUBCHEM CID:135398638 CH$LINK: INCHIKEY FDGQSTZJBFJUBT-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID8045983 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO000986.txt b/Keio_Univ/MSBNK-Keio_Univ-KO000986.txt index c5f2d4cf78c..0c997e5d62d 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO000986.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO000986.txt @@ -16,7 +16,7 @@ CH$LINK: CHEBI CHEBI:17368 CH$LINK: CHEMPDB HPA CH$LINK: KEGG C00262 CH$LINK: NIKKAJI J1.934H -CH$LINK: PUBCHEM SID:3560 +CH$LINK: PUBCHEM CID:135398638 CH$LINK: INCHIKEY FDGQSTZJBFJUBT-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID8045983 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO000987.txt b/Keio_Univ/MSBNK-Keio_Univ-KO000987.txt index 4928b2b910c..f0cdc965a8b 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO000987.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO000987.txt @@ -16,7 +16,7 @@ CH$LINK: CHEBI CHEBI:17368 CH$LINK: CHEMPDB HPA CH$LINK: KEGG C00262 CH$LINK: NIKKAJI J1.934H -CH$LINK: PUBCHEM SID:3560 +CH$LINK: PUBCHEM CID:135398638 CH$LINK: INCHIKEY FDGQSTZJBFJUBT-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID8045983 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO000988.txt b/Keio_Univ/MSBNK-Keio_Univ-KO000988.txt index 65f1626bee8..1c24d80cfd2 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO000988.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO000988.txt @@ -15,7 +15,7 @@ CH$LINK: CAS 5006-66-6 CH$LINK: CHEBI CHEBI:16168 CH$LINK: KEGG C01020 CH$LINK: NIKKAJI J208I -CH$LINK: PUBCHEM SID:4265 +CH$LINK: PUBCHEM CID:72924 CH$LINK: INCHIKEY BLHCMGRVFXRYRN-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID0057754 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO000989.txt b/Keio_Univ/MSBNK-Keio_Univ-KO000989.txt index 3aa5f6dba93..900ae331709 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO000989.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO000989.txt @@ -15,7 +15,7 @@ CH$LINK: CAS 5006-66-6 CH$LINK: CHEBI CHEBI:16168 CH$LINK: KEGG C01020 CH$LINK: NIKKAJI J208I -CH$LINK: PUBCHEM SID:4265 +CH$LINK: PUBCHEM CID:72924 CH$LINK: INCHIKEY BLHCMGRVFXRYRN-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID0057754 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO000990.txt b/Keio_Univ/MSBNK-Keio_Univ-KO000990.txt index d9dfecc07a5..84eeb2f3579 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO000990.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO000990.txt @@ -15,7 +15,7 @@ CH$LINK: CAS 5006-66-6 CH$LINK: CHEBI CHEBI:16168 CH$LINK: KEGG C01020 CH$LINK: NIKKAJI J208I -CH$LINK: PUBCHEM SID:4265 +CH$LINK: PUBCHEM CID:72924 CH$LINK: INCHIKEY BLHCMGRVFXRYRN-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID0057754 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO000991.txt b/Keio_Univ/MSBNK-Keio_Univ-KO000991.txt index 520f98097a7..bffb5a2d2c9 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO000991.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO000991.txt @@ -15,7 +15,7 @@ CH$LINK: CAS 5006-66-6 CH$LINK: CHEBI CHEBI:16168 CH$LINK: KEGG C01020 CH$LINK: NIKKAJI J208I -CH$LINK: PUBCHEM SID:4265 +CH$LINK: PUBCHEM CID:72924 CH$LINK: INCHIKEY BLHCMGRVFXRYRN-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID0057754 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO000992.txt b/Keio_Univ/MSBNK-Keio_Univ-KO000992.txt index c68bb3c85b3..e9a5cd533be 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO000992.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO000992.txt @@ -15,7 +15,7 @@ CH$LINK: CAS 5006-66-6 CH$LINK: CHEBI CHEBI:16168 CH$LINK: KEGG C01020 CH$LINK: NIKKAJI J208I -CH$LINK: PUBCHEM SID:4265 +CH$LINK: PUBCHEM CID:72924 CH$LINK: INCHIKEY BLHCMGRVFXRYRN-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID0057754 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO000993.txt b/Keio_Univ/MSBNK-Keio_Univ-KO000993.txt index f07959aca81..9634d5569d5 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO000993.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO000993.txt @@ -15,7 +15,7 @@ CH$LINK: CAS 300-84-5 CH$LINK: CHEBI CHEBI:16668 CH$LINK: KEGG C00519 CH$LINK: NIKKAJI J11.604A -CH$LINK: PUBCHEM SID:3802 +CH$LINK: PUBCHEM CID:107812 CH$LINK: INCHIKEY VVIUBCNYACGLLV-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID8075380 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO000994.txt b/Keio_Univ/MSBNK-Keio_Univ-KO000994.txt index 1037cf15f11..92a09607770 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO000994.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO000994.txt @@ -15,7 +15,7 @@ CH$LINK: CAS 300-84-5 CH$LINK: CHEBI CHEBI:16668 CH$LINK: KEGG C00519 CH$LINK: NIKKAJI J11.604A -CH$LINK: PUBCHEM SID:3802 +CH$LINK: PUBCHEM CID:107812 CH$LINK: INCHIKEY VVIUBCNYACGLLV-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID8075380 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO000995.txt b/Keio_Univ/MSBNK-Keio_Univ-KO000995.txt index 0b79b11e437..0c37197ff79 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO000995.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO000995.txt @@ -15,7 +15,7 @@ CH$LINK: CAS 300-84-5 CH$LINK: CHEBI CHEBI:16668 CH$LINK: KEGG C00519 CH$LINK: NIKKAJI J11.604A -CH$LINK: PUBCHEM SID:3802 +CH$LINK: PUBCHEM CID:107812 CH$LINK: INCHIKEY VVIUBCNYACGLLV-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID8075380 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO000996.txt b/Keio_Univ/MSBNK-Keio_Univ-KO000996.txt index 40dfca685a3..abb0bf4d229 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO000996.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO000996.txt @@ -15,7 +15,7 @@ CH$LINK: CAS 300-84-5 CH$LINK: CHEBI CHEBI:16668 CH$LINK: KEGG C00519 CH$LINK: NIKKAJI J11.604A -CH$LINK: PUBCHEM SID:3802 +CH$LINK: PUBCHEM CID:107812 CH$LINK: INCHIKEY VVIUBCNYACGLLV-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID8075380 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO000997.txt b/Keio_Univ/MSBNK-Keio_Univ-KO000997.txt index 5faa74b3e19..73d8b445877 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO000997.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO000997.txt @@ -15,7 +15,7 @@ CH$LINK: CAS 300-84-5 CH$LINK: CHEBI CHEBI:16668 CH$LINK: KEGG C00519 CH$LINK: NIKKAJI J11.604A -CH$LINK: PUBCHEM SID:3802 +CH$LINK: PUBCHEM CID:107812 CH$LINK: INCHIKEY VVIUBCNYACGLLV-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID8075380 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO000998.txt b/Keio_Univ/MSBNK-Keio_Univ-KO000998.txt index 24a6c9cf7ae..6e531c473ff 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO000998.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO000998.txt @@ -17,7 +17,7 @@ CH$LINK: CHEBI CHEBI:30764 CH$LINK: CHEMPDB 3HB CH$LINK: KEGG C00587 CH$LINK: NIKKAJI J43.202D -CH$LINK: PUBCHEM SID:3866 +CH$LINK: PUBCHEM CID:7420 CH$LINK: INCHIKEY IJFXRHURBJZNAO-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID6021610 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO000999.txt b/Keio_Univ/MSBNK-Keio_Univ-KO000999.txt index 4980c44b362..8a9991b3e8c 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO000999.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO000999.txt @@ -17,7 +17,7 @@ CH$LINK: CHEBI CHEBI:30764 CH$LINK: CHEMPDB 3HB CH$LINK: KEGG C00587 CH$LINK: NIKKAJI J43.202D -CH$LINK: PUBCHEM SID:3866 +CH$LINK: PUBCHEM CID:7420 CH$LINK: INCHIKEY IJFXRHURBJZNAO-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID6021610 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO001000.txt b/Keio_Univ/MSBNK-Keio_Univ-KO001000.txt index a6c4de7e3e6..d8b0dea860f 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO001000.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO001000.txt @@ -17,7 +17,7 @@ CH$LINK: CHEBI CHEBI:30764 CH$LINK: CHEMPDB 3HB CH$LINK: KEGG C00587 CH$LINK: NIKKAJI J43.202D -CH$LINK: PUBCHEM SID:3866 +CH$LINK: PUBCHEM CID:7420 CH$LINK: INCHIKEY IJFXRHURBJZNAO-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID6021610 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO001001.txt b/Keio_Univ/MSBNK-Keio_Univ-KO001001.txt index 0eacd7d854a..b4a6ad60c8d 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO001001.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO001001.txt @@ -17,7 +17,7 @@ CH$LINK: CHEBI CHEBI:30764 CH$LINK: CHEMPDB 3HB CH$LINK: KEGG C00587 CH$LINK: NIKKAJI J43.202D -CH$LINK: PUBCHEM SID:3866 +CH$LINK: PUBCHEM CID:7420 CH$LINK: INCHIKEY IJFXRHURBJZNAO-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID6021610 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO001002.txt b/Keio_Univ/MSBNK-Keio_Univ-KO001002.txt index 8f9158562de..67150cbea9b 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO001002.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO001002.txt @@ -17,7 +17,7 @@ CH$LINK: CHEBI CHEBI:30764 CH$LINK: CHEMPDB 3HB CH$LINK: KEGG C00587 CH$LINK: NIKKAJI J43.202D -CH$LINK: PUBCHEM SID:3866 +CH$LINK: PUBCHEM CID:7420 CH$LINK: INCHIKEY IJFXRHURBJZNAO-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID6021610 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO001003.txt b/Keio_Univ/MSBNK-Keio_Univ-KO001003.txt index 448a23e478d..df57172be45 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO001003.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO001003.txt @@ -18,7 +18,7 @@ CH$LINK: CHEBI CHEBI:16914 CH$LINK: CHEMPDB SAL CH$LINK: KEGG C00805 CH$LINK: NIKKAJI J2.370A -CH$LINK: PUBCHEM SID:4063 +CH$LINK: PUBCHEM CID:338 CH$LINK: INCHIKEY YGSDEFSMJLZEOE-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID7026368 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO001004.txt b/Keio_Univ/MSBNK-Keio_Univ-KO001004.txt index 7f79b307c09..402d8c8a93a 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO001004.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO001004.txt @@ -18,7 +18,7 @@ CH$LINK: CHEBI CHEBI:16914 CH$LINK: CHEMPDB SAL CH$LINK: KEGG C00805 CH$LINK: NIKKAJI J2.370A -CH$LINK: PUBCHEM SID:4063 +CH$LINK: PUBCHEM CID:338 CH$LINK: INCHIKEY YGSDEFSMJLZEOE-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID7026368 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO001005.txt b/Keio_Univ/MSBNK-Keio_Univ-KO001005.txt index 97e352e0990..1f9564e1c00 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO001005.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO001005.txt @@ -18,7 +18,7 @@ CH$LINK: CHEBI CHEBI:16914 CH$LINK: CHEMPDB SAL CH$LINK: KEGG C00805 CH$LINK: NIKKAJI J2.370A -CH$LINK: PUBCHEM SID:4063 +CH$LINK: PUBCHEM CID:338 CH$LINK: INCHIKEY YGSDEFSMJLZEOE-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID7026368 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO001006.txt b/Keio_Univ/MSBNK-Keio_Univ-KO001006.txt index f584fe112f7..b3047248d24 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO001006.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO001006.txt @@ -18,7 +18,7 @@ CH$LINK: CHEBI CHEBI:16914 CH$LINK: CHEMPDB SAL CH$LINK: KEGG C00805 CH$LINK: NIKKAJI J2.370A -CH$LINK: PUBCHEM SID:4063 +CH$LINK: PUBCHEM CID:338 CH$LINK: INCHIKEY YGSDEFSMJLZEOE-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID7026368 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO001007.txt b/Keio_Univ/MSBNK-Keio_Univ-KO001007.txt index 562d3cf8d43..801ec5a2fbf 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO001007.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO001007.txt @@ -18,7 +18,7 @@ CH$LINK: CHEBI CHEBI:16914 CH$LINK: CHEMPDB SAL CH$LINK: KEGG C00805 CH$LINK: NIKKAJI J2.370A -CH$LINK: PUBCHEM SID:4063 +CH$LINK: PUBCHEM CID:338 CH$LINK: INCHIKEY YGSDEFSMJLZEOE-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID7026368 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO001023.txt b/Keio_Univ/MSBNK-Keio_Univ-KO001023.txt index 29c5daa4144..90f86c2f585 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO001023.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO001023.txt @@ -18,7 +18,7 @@ CH$LINK: CAS 487-54-7 CH$LINK: CHEBI CHEBI:9008 CH$LINK: KEGG C07588 CH$LINK: NIKKAJI J54.010B -CH$LINK: PUBCHEM SID:9790 +CH$LINK: PUBCHEM CID:10253 CH$LINK: INCHIKEY ONJSZLXSECQROL-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID70197592 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO001024.txt b/Keio_Univ/MSBNK-Keio_Univ-KO001024.txt index 5ef99b19b7f..0acc92f29c7 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO001024.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO001024.txt @@ -18,7 +18,7 @@ CH$LINK: CAS 487-54-7 CH$LINK: CHEBI CHEBI:9008 CH$LINK: KEGG C07588 CH$LINK: NIKKAJI J54.010B -CH$LINK: PUBCHEM SID:9790 +CH$LINK: PUBCHEM CID:10253 CH$LINK: INCHIKEY ONJSZLXSECQROL-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID70197592 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO001025.txt b/Keio_Univ/MSBNK-Keio_Univ-KO001025.txt index 5cc9cfc55ab..3a18b573a3f 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO001025.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO001025.txt @@ -18,7 +18,7 @@ CH$LINK: CAS 487-54-7 CH$LINK: CHEBI CHEBI:9008 CH$LINK: KEGG C07588 CH$LINK: NIKKAJI J54.010B -CH$LINK: PUBCHEM SID:9790 +CH$LINK: PUBCHEM CID:10253 CH$LINK: INCHIKEY ONJSZLXSECQROL-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID70197592 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO001026.txt b/Keio_Univ/MSBNK-Keio_Univ-KO001026.txt index cbf00f91c45..d9148893996 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO001026.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO001026.txt @@ -18,7 +18,7 @@ CH$LINK: CAS 487-54-7 CH$LINK: CHEBI CHEBI:9008 CH$LINK: KEGG C07588 CH$LINK: NIKKAJI J54.010B -CH$LINK: PUBCHEM SID:9790 +CH$LINK: PUBCHEM CID:10253 CH$LINK: INCHIKEY ONJSZLXSECQROL-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID70197592 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO001027.txt b/Keio_Univ/MSBNK-Keio_Univ-KO001027.txt index c9b7eabd10e..609229607a4 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO001027.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO001027.txt @@ -18,7 +18,7 @@ CH$LINK: CAS 487-54-7 CH$LINK: CHEBI CHEBI:9008 CH$LINK: KEGG C07588 CH$LINK: NIKKAJI J54.010B -CH$LINK: PUBCHEM SID:9790 +CH$LINK: PUBCHEM CID:10253 CH$LINK: INCHIKEY ONJSZLXSECQROL-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID70197592 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO001028.txt b/Keio_Univ/MSBNK-Keio_Univ-KO001028.txt index 233ba53c1ca..aed2dbfd948 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO001028.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO001028.txt @@ -13,7 +13,7 @@ CH$IUPAC: InChI=1S/C12H10N2/c1-8-12-10(6-7-13-8)9-4-2-3-5-11(9)14-12/h2-7,14H,1H CH$LINK: CAS 486-84-0 CH$LINK: KEGG C09209 CH$LINK: NIKKAJI J1.550D -CH$LINK: PUBCHEM SID:11400 +CH$LINK: PUBCHEM CID:5281404 CH$LINK: INCHIKEY PSFDQSOCUJVVGF-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID80197568 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO001029.txt b/Keio_Univ/MSBNK-Keio_Univ-KO001029.txt index a7112d5eaee..97eac3e8262 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO001029.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO001029.txt @@ -13,7 +13,7 @@ CH$IUPAC: InChI=1S/C12H10N2/c1-8-12-10(6-7-13-8)9-4-2-3-5-11(9)14-12/h2-7,14H,1H CH$LINK: CAS 486-84-0 CH$LINK: KEGG C09209 CH$LINK: NIKKAJI J1.550D -CH$LINK: PUBCHEM SID:11400 +CH$LINK: PUBCHEM CID:5281404 CH$LINK: INCHIKEY PSFDQSOCUJVVGF-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID80197568 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO001030.txt b/Keio_Univ/MSBNK-Keio_Univ-KO001030.txt index 95977f59330..ca26ed9bcd8 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO001030.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO001030.txt @@ -13,7 +13,7 @@ CH$IUPAC: InChI=1S/C12H10N2/c1-8-12-10(6-7-13-8)9-4-2-3-5-11(9)14-12/h2-7,14H,1H CH$LINK: CAS 486-84-0 CH$LINK: KEGG C09209 CH$LINK: NIKKAJI J1.550D -CH$LINK: PUBCHEM SID:11400 +CH$LINK: PUBCHEM CID:5281404 CH$LINK: INCHIKEY PSFDQSOCUJVVGF-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID80197568 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO001031.txt b/Keio_Univ/MSBNK-Keio_Univ-KO001031.txt index afaee1a5fe8..5f7b6040f8d 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO001031.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO001031.txt @@ -13,7 +13,7 @@ CH$IUPAC: InChI=1S/C12H10N2/c1-8-12-10(6-7-13-8)9-4-2-3-5-11(9)14-12/h2-7,14H,1H CH$LINK: CAS 486-84-0 CH$LINK: KEGG C09209 CH$LINK: NIKKAJI J1.550D -CH$LINK: PUBCHEM SID:11400 +CH$LINK: PUBCHEM CID:5281404 CH$LINK: INCHIKEY PSFDQSOCUJVVGF-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID80197568 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO001032.txt b/Keio_Univ/MSBNK-Keio_Univ-KO001032.txt index 6f0e3abf959..a17f97e8411 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO001032.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO001032.txt @@ -13,7 +13,7 @@ CH$IUPAC: InChI=1S/C12H10N2/c1-8-12-10(6-7-13-8)9-4-2-3-5-11(9)14-12/h2-7,14H,1H CH$LINK: CAS 486-84-0 CH$LINK: KEGG C09209 CH$LINK: NIKKAJI J1.550D -CH$LINK: PUBCHEM SID:11400 +CH$LINK: PUBCHEM CID:5281404 CH$LINK: INCHIKEY PSFDQSOCUJVVGF-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID80197568 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO001037.txt b/Keio_Univ/MSBNK-Keio_Univ-KO001037.txt index 8b88d6d0c77..b138ef066c9 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO001037.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO001037.txt @@ -16,7 +16,7 @@ CH$SMILES: OCCCCCCCC(O)=O CH$IUPAC: InChI=1S/C8H16O3/c9-7-5-3-1-2-4-6-8(10)11/h9H,1-7H2,(H,10,11) CH$LINK: CAS 764-89-6 CH$LINK: NIKKAJI J129.296J -CH$LINK: PUBCHEM SID:10535208 +CH$LINK: PUBCHEM CID:69820 CH$LINK: INCHIKEY KDMSVYIHKLZKET-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID40227234 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO001038.txt b/Keio_Univ/MSBNK-Keio_Univ-KO001038.txt index a4f0bd76960..ad748fe8402 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO001038.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO001038.txt @@ -16,7 +16,7 @@ CH$SMILES: OCCCCCCCC(O)=O CH$IUPAC: InChI=1S/C8H16O3/c9-7-5-3-1-2-4-6-8(10)11/h9H,1-7H2,(H,10,11) CH$LINK: CAS 764-89-6 CH$LINK: NIKKAJI J129.296J -CH$LINK: PUBCHEM SID:10535208 +CH$LINK: PUBCHEM CID:69820 CH$LINK: INCHIKEY KDMSVYIHKLZKET-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID40227234 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO001039.txt b/Keio_Univ/MSBNK-Keio_Univ-KO001039.txt index 22a9dbffec3..341150c03fa 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO001039.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO001039.txt @@ -16,7 +16,7 @@ CH$SMILES: OCCCCCCCC(O)=O CH$IUPAC: InChI=1S/C8H16O3/c9-7-5-3-1-2-4-6-8(10)11/h9H,1-7H2,(H,10,11) CH$LINK: CAS 764-89-6 CH$LINK: NIKKAJI J129.296J -CH$LINK: PUBCHEM SID:10535208 +CH$LINK: PUBCHEM CID:69820 CH$LINK: INCHIKEY KDMSVYIHKLZKET-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID40227234 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO001040.txt b/Keio_Univ/MSBNK-Keio_Univ-KO001040.txt index aa3ff5bde95..44f08abb55c 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO001040.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO001040.txt @@ -16,7 +16,7 @@ CH$SMILES: OCCCCCCCC(O)=O CH$IUPAC: InChI=1S/C8H16O3/c9-7-5-3-1-2-4-6-8(10)11/h9H,1-7H2,(H,10,11) CH$LINK: CAS 764-89-6 CH$LINK: NIKKAJI J129.296J -CH$LINK: PUBCHEM SID:10535208 +CH$LINK: PUBCHEM CID:69820 CH$LINK: INCHIKEY KDMSVYIHKLZKET-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID40227234 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO001041.txt b/Keio_Univ/MSBNK-Keio_Univ-KO001041.txt index aaaa6d50e62..13f1105a70a 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO001041.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO001041.txt @@ -16,7 +16,7 @@ CH$SMILES: OCCCCCCCC(O)=O CH$IUPAC: InChI=1S/C8H16O3/c9-7-5-3-1-2-4-6-8(10)11/h9H,1-7H2,(H,10,11) CH$LINK: CAS 764-89-6 CH$LINK: NIKKAJI J129.296J -CH$LINK: PUBCHEM SID:10535208 +CH$LINK: PUBCHEM CID:69820 CH$LINK: INCHIKEY KDMSVYIHKLZKET-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID40227234 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO001057.txt b/Keio_Univ/MSBNK-Keio_Univ-KO001057.txt index 52855ef4e8e..3d6a2e16059 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO001057.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO001057.txt @@ -15,7 +15,7 @@ CH$LINK: CAS 2584-71-6 CH$LINK: CHEBI CHEBI:16231 CH$LINK: KEGG C03440 CH$LINK: NIKKAJI J192.095B -CH$LINK: PUBCHEM SID:6264 +CH$LINK: PUBCHEM CID:440014 CH$LINK: INCHIKEY PMMYEEVYMWASQN-QWWZWVQMSA-N CH$LINK: COMPTOX DTXSID20180494 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO001058.txt b/Keio_Univ/MSBNK-Keio_Univ-KO001058.txt index aa2b73cf826..ecd013d73d4 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO001058.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO001058.txt @@ -15,7 +15,7 @@ CH$LINK: CAS 2584-71-6 CH$LINK: CHEBI CHEBI:16231 CH$LINK: KEGG C03440 CH$LINK: NIKKAJI J192.095B -CH$LINK: PUBCHEM SID:6264 +CH$LINK: PUBCHEM CID:440014 CH$LINK: INCHIKEY PMMYEEVYMWASQN-QWWZWVQMSA-N CH$LINK: COMPTOX DTXSID20180494 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO001059.txt b/Keio_Univ/MSBNK-Keio_Univ-KO001059.txt index b43afe21c39..014ecb382cf 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO001059.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO001059.txt @@ -15,7 +15,7 @@ CH$LINK: CAS 2584-71-6 CH$LINK: CHEBI CHEBI:16231 CH$LINK: KEGG C03440 CH$LINK: NIKKAJI J192.095B -CH$LINK: PUBCHEM SID:6264 +CH$LINK: PUBCHEM CID:440014 CH$LINK: INCHIKEY PMMYEEVYMWASQN-QWWZWVQMSA-N CH$LINK: COMPTOX DTXSID20180494 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO001060.txt b/Keio_Univ/MSBNK-Keio_Univ-KO001060.txt index e63b847e33b..6cc56be71f5 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO001060.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO001060.txt @@ -15,7 +15,7 @@ CH$LINK: CAS 2584-71-6 CH$LINK: CHEBI CHEBI:16231 CH$LINK: KEGG C03440 CH$LINK: NIKKAJI J192.095B -CH$LINK: PUBCHEM SID:6264 +CH$LINK: PUBCHEM CID:440014 CH$LINK: INCHIKEY PMMYEEVYMWASQN-QWWZWVQMSA-N CH$LINK: COMPTOX DTXSID20180494 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO001061.txt b/Keio_Univ/MSBNK-Keio_Univ-KO001061.txt index 2e8426126d9..0db8729d7ee 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO001061.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO001061.txt @@ -14,7 +14,7 @@ CH$EXACT_MASS: 198.05282 CH$SMILES: COc(c1)c(O)ccc1C(O)C(O)=O CH$IUPAC: InChI=1S/C9H10O5/c1-14-7-4-5(2-3-6(7)10)8(11)9(12)13/h2-4,8,10-11H,1H3,(H,12,13) CH$LINK: KEGG C05584 -CH$LINK: PUBCHEM SID:7910 +CH$LINK: PUBCHEM CID:1245 CH$LINK: INCHIKEY CGQCWMIAEPEHNQ-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID10861583 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO001062.txt b/Keio_Univ/MSBNK-Keio_Univ-KO001062.txt index e49d9bfc140..8176448ff5f 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO001062.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO001062.txt @@ -14,7 +14,7 @@ CH$EXACT_MASS: 198.05282 CH$SMILES: COc(c1)c(O)ccc1C(O)C(O)=O CH$IUPAC: InChI=1S/C9H10O5/c1-14-7-4-5(2-3-6(7)10)8(11)9(12)13/h2-4,8,10-11H,1H3,(H,12,13) CH$LINK: KEGG C05584 -CH$LINK: PUBCHEM SID:7910 +CH$LINK: PUBCHEM CID:1245 CH$LINK: INCHIKEY CGQCWMIAEPEHNQ-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID10861583 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO001063.txt b/Keio_Univ/MSBNK-Keio_Univ-KO001063.txt index 9051d918e05..77bc5ed8acb 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO001063.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO001063.txt @@ -14,7 +14,7 @@ CH$EXACT_MASS: 198.05282 CH$SMILES: COc(c1)c(O)ccc1C(O)C(O)=O CH$IUPAC: InChI=1S/C9H10O5/c1-14-7-4-5(2-3-6(7)10)8(11)9(12)13/h2-4,8,10-11H,1H3,(H,12,13) CH$LINK: KEGG C05584 -CH$LINK: PUBCHEM SID:7910 +CH$LINK: PUBCHEM CID:1245 CH$LINK: INCHIKEY CGQCWMIAEPEHNQ-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID10861583 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO001064.txt b/Keio_Univ/MSBNK-Keio_Univ-KO001064.txt index 197365a7bab..7b91a3d9aee 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO001064.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO001064.txt @@ -14,7 +14,7 @@ CH$EXACT_MASS: 198.05282 CH$SMILES: COc(c1)c(O)ccc1C(O)C(O)=O CH$IUPAC: InChI=1S/C9H10O5/c1-14-7-4-5(2-3-6(7)10)8(11)9(12)13/h2-4,8,10-11H,1H3,(H,12,13) CH$LINK: KEGG C05584 -CH$LINK: PUBCHEM SID:7910 +CH$LINK: PUBCHEM CID:1245 CH$LINK: INCHIKEY CGQCWMIAEPEHNQ-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID10861583 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO001065.txt b/Keio_Univ/MSBNK-Keio_Univ-KO001065.txt index 47e26c37566..9b5f2bbb942 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO001065.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO001065.txt @@ -14,7 +14,7 @@ CH$EXACT_MASS: 198.05282 CH$SMILES: COc(c1)c(O)ccc1C(O)C(O)=O CH$IUPAC: InChI=1S/C9H10O5/c1-14-7-4-5(2-3-6(7)10)8(11)9(12)13/h2-4,8,10-11H,1H3,(H,12,13) CH$LINK: KEGG C05584 -CH$LINK: PUBCHEM SID:7910 +CH$LINK: PUBCHEM CID:1245 CH$LINK: INCHIKEY CGQCWMIAEPEHNQ-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID10861583 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO001066.txt b/Keio_Univ/MSBNK-Keio_Univ-KO001066.txt index d646dbe1887..365ea441191 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO001066.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO001066.txt @@ -13,7 +13,7 @@ CH$EXACT_MASS: 191.05824 CH$SMILES: C1=CC2=C(C=C1O)C(=CN2)CC(=O)O CH$IUPAC: InChI=1S/C10H9NO3/c12-7-1-2-9-8(4-7)6(5-11-9)3-10(13)14/h1-2,4-5,11-12H,3H2,(H,13,14) CH$LINK: KEGG C05635 -CH$LINK: PUBCHEM SID:7946 +CH$LINK: PUBCHEM CID:1826 CH$LINK: INCHIKEY DUUGKQCEGZLZNO-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID50861582 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO001067.txt b/Keio_Univ/MSBNK-Keio_Univ-KO001067.txt index a9e6b2121f4..f89d63dca5f 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO001067.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO001067.txt @@ -13,7 +13,7 @@ CH$EXACT_MASS: 191.05824 CH$SMILES: C1=CC2=C(C=C1O)C(=CN2)CC(=O)O CH$IUPAC: InChI=1S/C10H9NO3/c12-7-1-2-9-8(4-7)6(5-11-9)3-10(13)14/h1-2,4-5,11-12H,3H2,(H,13,14) CH$LINK: KEGG C05635 -CH$LINK: PUBCHEM SID:7946 +CH$LINK: PUBCHEM CID:1826 CH$LINK: INCHIKEY DUUGKQCEGZLZNO-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID50861582 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO001068.txt b/Keio_Univ/MSBNK-Keio_Univ-KO001068.txt index a3565d1f7cf..06d4aa5c68d 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO001068.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO001068.txt @@ -13,7 +13,7 @@ CH$EXACT_MASS: 191.05824 CH$SMILES: C1=CC2=C(C=C1O)C(=CN2)CC(=O)O CH$IUPAC: InChI=1S/C10H9NO3/c12-7-1-2-9-8(4-7)6(5-11-9)3-10(13)14/h1-2,4-5,11-12H,3H2,(H,13,14) CH$LINK: KEGG C05635 -CH$LINK: PUBCHEM SID:7946 +CH$LINK: PUBCHEM CID:1826 CH$LINK: INCHIKEY DUUGKQCEGZLZNO-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID50861582 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO001069.txt b/Keio_Univ/MSBNK-Keio_Univ-KO001069.txt index 5fd403be4d2..43680091cb2 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO001069.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO001069.txt @@ -13,7 +13,7 @@ CH$EXACT_MASS: 191.05824 CH$SMILES: C1=CC2=C(C=C1O)C(=CN2)CC(=O)O CH$IUPAC: InChI=1S/C10H9NO3/c12-7-1-2-9-8(4-7)6(5-11-9)3-10(13)14/h1-2,4-5,11-12H,3H2,(H,13,14) CH$LINK: KEGG C05635 -CH$LINK: PUBCHEM SID:7946 +CH$LINK: PUBCHEM CID:1826 CH$LINK: INCHIKEY DUUGKQCEGZLZNO-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID50861582 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO001070.txt b/Keio_Univ/MSBNK-Keio_Univ-KO001070.txt index cef75d82b01..1574d875968 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO001070.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO001070.txt @@ -13,7 +13,7 @@ CH$EXACT_MASS: 191.05824 CH$SMILES: C1=CC2=C(C=C1O)C(=CN2)CC(=O)O CH$IUPAC: InChI=1S/C10H9NO3/c12-7-1-2-9-8(4-7)6(5-11-9)3-10(13)14/h1-2,4-5,11-12H,3H2,(H,13,14) CH$LINK: KEGG C05635 -CH$LINK: PUBCHEM SID:7946 +CH$LINK: PUBCHEM CID:1826 CH$LINK: INCHIKEY DUUGKQCEGZLZNO-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID50861582 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO001071.txt b/Keio_Univ/MSBNK-Keio_Univ-KO001071.txt index 92d7f1d0ca5..abbab5a232b 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO001071.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO001071.txt @@ -14,7 +14,7 @@ CH$IUPAC: InChI=1S/C9H10O4/c1-13-8-4-6(5-9(11)12)2-3-7(8)10/h2-4,10H,5H2,1H3,(H, CH$LINK: CAS 306-08-1 CH$LINK: KEGG C05582 CH$LINK: NIKKAJI J61.262F -CH$LINK: PUBCHEM SID:7908 +CH$LINK: PUBCHEM CID:1738 CH$LINK: INCHIKEY QRMZSPFSDQBLIX-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID5059791 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO001072.txt b/Keio_Univ/MSBNK-Keio_Univ-KO001072.txt index 6336403af8d..4f3ec245697 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO001072.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO001072.txt @@ -14,7 +14,7 @@ CH$IUPAC: InChI=1S/C9H10O4/c1-13-8-4-6(5-9(11)12)2-3-7(8)10/h2-4,10H,5H2,1H3,(H, CH$LINK: CAS 306-08-1 CH$LINK: KEGG C05582 CH$LINK: NIKKAJI J61.262F -CH$LINK: PUBCHEM SID:7908 +CH$LINK: PUBCHEM CID:1738 CH$LINK: INCHIKEY QRMZSPFSDQBLIX-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID5059791 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO001073.txt b/Keio_Univ/MSBNK-Keio_Univ-KO001073.txt index 97754fe5bf1..24e86f834ad 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO001073.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO001073.txt @@ -14,7 +14,7 @@ CH$IUPAC: InChI=1S/C9H10O4/c1-13-8-4-6(5-9(11)12)2-3-7(8)10/h2-4,10H,5H2,1H3,(H, CH$LINK: CAS 306-08-1 CH$LINK: KEGG C05582 CH$LINK: NIKKAJI J61.262F -CH$LINK: PUBCHEM SID:7908 +CH$LINK: PUBCHEM CID:1738 CH$LINK: INCHIKEY QRMZSPFSDQBLIX-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID5059791 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO001074.txt b/Keio_Univ/MSBNK-Keio_Univ-KO001074.txt index 042ed754f75..258da577260 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO001074.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO001074.txt @@ -14,7 +14,7 @@ CH$IUPAC: InChI=1S/C9H10O4/c1-13-8-4-6(5-9(11)12)2-3-7(8)10/h2-4,10H,5H2,1H3,(H, CH$LINK: CAS 306-08-1 CH$LINK: KEGG C05582 CH$LINK: NIKKAJI J61.262F -CH$LINK: PUBCHEM SID:7908 +CH$LINK: PUBCHEM CID:1738 CH$LINK: INCHIKEY QRMZSPFSDQBLIX-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID5059791 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO001075.txt b/Keio_Univ/MSBNK-Keio_Univ-KO001075.txt index 8bce5faa8f3..33a7cf59b35 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO001075.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO001075.txt @@ -14,7 +14,7 @@ CH$IUPAC: InChI=1S/C9H10O4/c1-13-8-4-6(5-9(11)12)2-3-7(8)10/h2-4,10H,5H2,1H3,(H, CH$LINK: CAS 306-08-1 CH$LINK: KEGG C05582 CH$LINK: NIKKAJI J61.262F -CH$LINK: PUBCHEM SID:7908 +CH$LINK: PUBCHEM CID:1738 CH$LINK: INCHIKEY QRMZSPFSDQBLIX-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID5059791 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO001076.txt b/Keio_Univ/MSBNK-Keio_Univ-KO001076.txt index 5445d103f06..f2eea00f05e 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO001076.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO001076.txt @@ -18,7 +18,7 @@ CH$LINK: CHEBI CHEBI:5755 CH$LINK: CHEMPDB OMD CH$LINK: KEGG C00544 CH$LINK: NIKKAJI J5.750I -CH$LINK: PUBCHEM SID:3825 +CH$LINK: PUBCHEM CID:780 CH$LINK: INCHIKEY IGMNYECMUMZDDF-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID1060005 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO001077.txt b/Keio_Univ/MSBNK-Keio_Univ-KO001077.txt index 57e5125a7e5..115067cdefb 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO001077.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO001077.txt @@ -18,7 +18,7 @@ CH$LINK: CHEBI CHEBI:5755 CH$LINK: CHEMPDB OMD CH$LINK: KEGG C00544 CH$LINK: NIKKAJI J5.750I -CH$LINK: PUBCHEM SID:3825 +CH$LINK: PUBCHEM CID:780 CH$LINK: INCHIKEY IGMNYECMUMZDDF-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID1060005 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO001078.txt b/Keio_Univ/MSBNK-Keio_Univ-KO001078.txt index 41297ad589c..ca5ae20d390 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO001078.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO001078.txt @@ -18,7 +18,7 @@ CH$LINK: CHEBI CHEBI:5755 CH$LINK: CHEMPDB OMD CH$LINK: KEGG C00544 CH$LINK: NIKKAJI J5.750I -CH$LINK: PUBCHEM SID:3825 +CH$LINK: PUBCHEM CID:780 CH$LINK: INCHIKEY IGMNYECMUMZDDF-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID1060005 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO001079.txt b/Keio_Univ/MSBNK-Keio_Univ-KO001079.txt index cee08d5749c..4f5ceecae78 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO001079.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO001079.txt @@ -18,7 +18,7 @@ CH$LINK: CHEBI CHEBI:5755 CH$LINK: CHEMPDB OMD CH$LINK: KEGG C00544 CH$LINK: NIKKAJI J5.750I -CH$LINK: PUBCHEM SID:3825 +CH$LINK: PUBCHEM CID:780 CH$LINK: INCHIKEY IGMNYECMUMZDDF-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID1060005 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO001080.txt b/Keio_Univ/MSBNK-Keio_Univ-KO001080.txt index 66cae1774a4..7122c84a973 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO001080.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO001080.txt @@ -18,7 +18,7 @@ CH$LINK: CHEBI CHEBI:5755 CH$LINK: CHEMPDB OMD CH$LINK: KEGG C00544 CH$LINK: NIKKAJI J5.750I -CH$LINK: PUBCHEM SID:3825 +CH$LINK: PUBCHEM CID:780 CH$LINK: INCHIKEY IGMNYECMUMZDDF-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID1060005 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO001081.txt b/Keio_Univ/MSBNK-Keio_Univ-KO001081.txt index 70db3bbc5d7..37b52063682 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO001081.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO001081.txt @@ -15,7 +15,7 @@ CH$LINK: CAS 1191-25-9 CH$LINK: CHEBI CHEBI:32383 CH$LINK: KEGG C06103 CH$LINK: NIKKAJI J262.001D -CH$LINK: PUBCHEM SID:8367 +CH$LINK: PUBCHEM CID:14490 CH$LINK: INCHIKEY IWHLYPDWHHPVAA-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID00152316 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO001082.txt b/Keio_Univ/MSBNK-Keio_Univ-KO001082.txt index 130a44a584c..fe0db42b5c1 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO001082.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO001082.txt @@ -15,7 +15,7 @@ CH$LINK: CAS 1191-25-9 CH$LINK: CHEBI CHEBI:32383 CH$LINK: KEGG C06103 CH$LINK: NIKKAJI J262.001D -CH$LINK: PUBCHEM SID:8367 +CH$LINK: PUBCHEM CID:14490 CH$LINK: INCHIKEY IWHLYPDWHHPVAA-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID00152316 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO001083.txt b/Keio_Univ/MSBNK-Keio_Univ-KO001083.txt index 8d03c652f92..acf1813eb7a 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO001083.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO001083.txt @@ -15,7 +15,7 @@ CH$LINK: CAS 1191-25-9 CH$LINK: CHEBI CHEBI:32383 CH$LINK: KEGG C06103 CH$LINK: NIKKAJI J262.001D -CH$LINK: PUBCHEM SID:8367 +CH$LINK: PUBCHEM CID:14490 CH$LINK: INCHIKEY IWHLYPDWHHPVAA-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID00152316 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO001084.txt b/Keio_Univ/MSBNK-Keio_Univ-KO001084.txt index e13fc82a3d5..8f0cd8da3be 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO001084.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO001084.txt @@ -15,7 +15,7 @@ CH$LINK: CAS 1191-25-9 CH$LINK: CHEBI CHEBI:32383 CH$LINK: KEGG C06103 CH$LINK: NIKKAJI J262.001D -CH$LINK: PUBCHEM SID:8367 +CH$LINK: PUBCHEM CID:14490 CH$LINK: INCHIKEY IWHLYPDWHHPVAA-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID00152316 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO001085.txt b/Keio_Univ/MSBNK-Keio_Univ-KO001085.txt index 93443ed5bf5..04deca7cda9 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO001085.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO001085.txt @@ -15,7 +15,7 @@ CH$LINK: CAS 1191-25-9 CH$LINK: CHEBI CHEBI:32383 CH$LINK: KEGG C06103 CH$LINK: NIKKAJI J262.001D -CH$LINK: PUBCHEM SID:8367 +CH$LINK: PUBCHEM CID:14490 CH$LINK: INCHIKEY IWHLYPDWHHPVAA-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID00152316 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO001091.txt b/Keio_Univ/MSBNK-Keio_Univ-KO001091.txt index 9d96affb0fa..65351c06bbc 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO001091.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO001091.txt @@ -17,7 +17,7 @@ CH$LINK: CAS 495-69-2 CH$LINK: CHEBI CHEBI:18089 CH$LINK: KEGG C01586 CH$LINK: NIKKAJI J1.562H -CH$LINK: PUBCHEM SID:4741 +CH$LINK: PUBCHEM CID:464 CH$LINK: INCHIKEY QIAFMBKCNZACKA-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID9046073 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO001092.txt b/Keio_Univ/MSBNK-Keio_Univ-KO001092.txt index a0ab44be31d..1ca63c75ec3 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO001092.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO001092.txt @@ -17,7 +17,7 @@ CH$LINK: CAS 495-69-2 CH$LINK: CHEBI CHEBI:18089 CH$LINK: KEGG C01586 CH$LINK: NIKKAJI J1.562H -CH$LINK: PUBCHEM SID:4741 +CH$LINK: PUBCHEM CID:464 CH$LINK: INCHIKEY QIAFMBKCNZACKA-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID9046073 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO001093.txt b/Keio_Univ/MSBNK-Keio_Univ-KO001093.txt index 1bfe286e903..40a1ec8c6d4 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO001093.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO001093.txt @@ -17,7 +17,7 @@ CH$LINK: CAS 495-69-2 CH$LINK: CHEBI CHEBI:18089 CH$LINK: KEGG C01586 CH$LINK: NIKKAJI J1.562H -CH$LINK: PUBCHEM SID:4741 +CH$LINK: PUBCHEM CID:464 CH$LINK: INCHIKEY QIAFMBKCNZACKA-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID9046073 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO001094.txt b/Keio_Univ/MSBNK-Keio_Univ-KO001094.txt index 395f27099aa..af9d28fb49e 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO001094.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO001094.txt @@ -17,7 +17,7 @@ CH$LINK: CAS 495-69-2 CH$LINK: CHEBI CHEBI:18089 CH$LINK: KEGG C01586 CH$LINK: NIKKAJI J1.562H -CH$LINK: PUBCHEM SID:4741 +CH$LINK: PUBCHEM CID:464 CH$LINK: INCHIKEY QIAFMBKCNZACKA-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID9046073 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO001095.txt b/Keio_Univ/MSBNK-Keio_Univ-KO001095.txt index a113fedb9fe..18b120eefb8 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO001095.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO001095.txt @@ -17,7 +17,7 @@ CH$LINK: CAS 495-69-2 CH$LINK: CHEBI CHEBI:18089 CH$LINK: KEGG C01586 CH$LINK: NIKKAJI J1.562H -CH$LINK: PUBCHEM SID:4741 +CH$LINK: PUBCHEM CID:464 CH$LINK: INCHIKEY QIAFMBKCNZACKA-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID9046073 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO001096.txt b/Keio_Univ/MSBNK-Keio_Univ-KO001096.txt index bec0fde6c17..daf259a5fb0 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO001096.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO001096.txt @@ -18,7 +18,7 @@ CH$LINK: CHEBI CHEBI:32980 CH$LINK: CHEMPDB HPP CH$LINK: KEGG C01744 CH$LINK: NIKKAJI J1.565B -CH$LINK: PUBCHEM SID:4878 +CH$LINK: PUBCHEM CID:10394 CH$LINK: INCHIKEY NMHMNPHRMNGLLB-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID2075427 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO001097.txt b/Keio_Univ/MSBNK-Keio_Univ-KO001097.txt index 7b94ef8ac61..a22689e8e8e 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO001097.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO001097.txt @@ -18,7 +18,7 @@ CH$LINK: CHEBI CHEBI:32980 CH$LINK: CHEMPDB HPP CH$LINK: KEGG C01744 CH$LINK: NIKKAJI J1.565B -CH$LINK: PUBCHEM SID:4878 +CH$LINK: PUBCHEM CID:10394 CH$LINK: INCHIKEY NMHMNPHRMNGLLB-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID2075427 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO001098.txt b/Keio_Univ/MSBNK-Keio_Univ-KO001098.txt index e4b0df0976c..6fbb8eda802 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO001098.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO001098.txt @@ -18,7 +18,7 @@ CH$LINK: CHEBI CHEBI:32980 CH$LINK: CHEMPDB HPP CH$LINK: KEGG C01744 CH$LINK: NIKKAJI J1.565B -CH$LINK: PUBCHEM SID:4878 +CH$LINK: PUBCHEM CID:10394 CH$LINK: INCHIKEY NMHMNPHRMNGLLB-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID2075427 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO001099.txt b/Keio_Univ/MSBNK-Keio_Univ-KO001099.txt index d63036782bc..3de286ff7f1 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO001099.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO001099.txt @@ -18,7 +18,7 @@ CH$LINK: CHEBI CHEBI:32980 CH$LINK: CHEMPDB HPP CH$LINK: KEGG C01744 CH$LINK: NIKKAJI J1.565B -CH$LINK: PUBCHEM SID:4878 +CH$LINK: PUBCHEM CID:10394 CH$LINK: INCHIKEY NMHMNPHRMNGLLB-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID2075427 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO001100.txt b/Keio_Univ/MSBNK-Keio_Univ-KO001100.txt index b476e1a83fc..df1caa3f53f 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO001100.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO001100.txt @@ -18,7 +18,7 @@ CH$LINK: CHEBI CHEBI:32980 CH$LINK: CHEMPDB HPP CH$LINK: KEGG C01744 CH$LINK: NIKKAJI J1.565B -CH$LINK: PUBCHEM SID:4878 +CH$LINK: PUBCHEM CID:10394 CH$LINK: INCHIKEY NMHMNPHRMNGLLB-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID2075427 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO001101.txt b/Keio_Univ/MSBNK-Keio_Univ-KO001101.txt index f87826f0e15..ce26762d872 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO001101.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO001101.txt @@ -13,7 +13,7 @@ CH$IUPAC: InChI=1S/C7H16N4O2/c8-5(6(12)13)3-1-2-4-11-7(9)10/h5H,1-4,8H2,(H,12,13 CH$LINK: CAS 156-86-5 CH$LINK: KEGG C01924 CH$LINK: NIKKAJI J24H -CH$LINK: PUBCHEM SID:5030 +CH$LINK: PUBCHEM CID:9085 CH$LINK: INCHIKEY QUOGESRFPZDMMT-YFKPBYRVSA-N CH$LINK: COMPTOX DTXSID70926980 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO001102.txt b/Keio_Univ/MSBNK-Keio_Univ-KO001102.txt index 99980f34715..2082084196d 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO001102.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO001102.txt @@ -13,7 +13,7 @@ CH$IUPAC: InChI=1S/C7H16N4O2/c8-5(6(12)13)3-1-2-4-11-7(9)10/h5H,1-4,8H2,(H,12,13 CH$LINK: CAS 156-86-5 CH$LINK: KEGG C01924 CH$LINK: NIKKAJI J24H -CH$LINK: PUBCHEM SID:5030 +CH$LINK: PUBCHEM CID:9085 CH$LINK: INCHIKEY QUOGESRFPZDMMT-YFKPBYRVSA-N CH$LINK: COMPTOX DTXSID70926980 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO001103.txt b/Keio_Univ/MSBNK-Keio_Univ-KO001103.txt index 90ace77bcea..4a069137a94 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO001103.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO001103.txt @@ -13,7 +13,7 @@ CH$IUPAC: InChI=1S/C7H16N4O2/c8-5(6(12)13)3-1-2-4-11-7(9)10/h5H,1-4,8H2,(H,12,13 CH$LINK: CAS 156-86-5 CH$LINK: KEGG C01924 CH$LINK: NIKKAJI J24H -CH$LINK: PUBCHEM SID:5030 +CH$LINK: PUBCHEM CID:9085 CH$LINK: INCHIKEY QUOGESRFPZDMMT-YFKPBYRVSA-N CH$LINK: COMPTOX DTXSID70926980 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO001104.txt b/Keio_Univ/MSBNK-Keio_Univ-KO001104.txt index 41cf4f0793d..e6148d75c02 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO001104.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO001104.txt @@ -13,7 +13,7 @@ CH$IUPAC: InChI=1S/C7H16N4O2/c8-5(6(12)13)3-1-2-4-11-7(9)10/h5H,1-4,8H2,(H,12,13 CH$LINK: CAS 156-86-5 CH$LINK: KEGG C01924 CH$LINK: NIKKAJI J24H -CH$LINK: PUBCHEM SID:5030 +CH$LINK: PUBCHEM CID:9085 CH$LINK: INCHIKEY QUOGESRFPZDMMT-YFKPBYRVSA-N CH$LINK: COMPTOX DTXSID70926980 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO001105.txt b/Keio_Univ/MSBNK-Keio_Univ-KO001105.txt index a420cab59a9..1ab6ec4e2b8 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO001105.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO001105.txt @@ -13,7 +13,7 @@ CH$IUPAC: InChI=1S/C7H16N4O2/c8-5(6(12)13)3-1-2-4-11-7(9)10/h5H,1-4,8H2,(H,12,13 CH$LINK: CAS 156-86-5 CH$LINK: KEGG C01924 CH$LINK: NIKKAJI J24H -CH$LINK: PUBCHEM SID:5030 +CH$LINK: PUBCHEM CID:9085 CH$LINK: INCHIKEY QUOGESRFPZDMMT-YFKPBYRVSA-N CH$LINK: COMPTOX DTXSID70926980 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO001106.txt b/Keio_Univ/MSBNK-Keio_Univ-KO001106.txt index 20fee47a328..a72dc40c3ae 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO001106.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO001106.txt @@ -18,7 +18,7 @@ CH$LINK: CAS 1135-24-6 CH$LINK: CHEBI CHEBI:17620 CH$LINK: KEGG C01494 CH$LINK: NIKKAJI J7.273G -CH$LINK: PUBCHEM SID:4664 +CH$LINK: PUBCHEM CID:445858 CH$LINK: INCHIKEY KSEBMYQBYZTDHS-HWKANZROSA-N CH$LINK: COMPTOX DTXSID70892035 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO001107.txt b/Keio_Univ/MSBNK-Keio_Univ-KO001107.txt index 5706b3c70a7..33ebfa58374 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO001107.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO001107.txt @@ -18,7 +18,7 @@ CH$LINK: CAS 1135-24-6 CH$LINK: CHEBI CHEBI:17620 CH$LINK: KEGG C01494 CH$LINK: NIKKAJI J7.273G -CH$LINK: PUBCHEM SID:4664 +CH$LINK: PUBCHEM CID:445858 CH$LINK: INCHIKEY KSEBMYQBYZTDHS-HWKANZROSA-N CH$LINK: COMPTOX DTXSID70892035 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO001108.txt b/Keio_Univ/MSBNK-Keio_Univ-KO001108.txt index 8aa10eec196..c6a04217fa3 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO001108.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO001108.txt @@ -18,7 +18,7 @@ CH$LINK: CAS 1135-24-6 CH$LINK: CHEBI CHEBI:17620 CH$LINK: KEGG C01494 CH$LINK: NIKKAJI J7.273G -CH$LINK: PUBCHEM SID:4664 +CH$LINK: PUBCHEM CID:445858 CH$LINK: INCHIKEY KSEBMYQBYZTDHS-HWKANZROSA-N CH$LINK: COMPTOX DTXSID70892035 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO001109.txt b/Keio_Univ/MSBNK-Keio_Univ-KO001109.txt index 9e4bb1308f4..0b5da28a05a 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO001109.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO001109.txt @@ -18,7 +18,7 @@ CH$LINK: CAS 1135-24-6 CH$LINK: CHEBI CHEBI:17620 CH$LINK: KEGG C01494 CH$LINK: NIKKAJI J7.273G -CH$LINK: PUBCHEM SID:4664 +CH$LINK: PUBCHEM CID:445858 CH$LINK: INCHIKEY KSEBMYQBYZTDHS-HWKANZROSA-N CH$LINK: COMPTOX DTXSID70892035 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO001110.txt b/Keio_Univ/MSBNK-Keio_Univ-KO001110.txt index 578251ffac2..10f9f9b6caa 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO001110.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO001110.txt @@ -18,7 +18,7 @@ CH$LINK: CAS 1135-24-6 CH$LINK: CHEBI CHEBI:17620 CH$LINK: KEGG C01494 CH$LINK: NIKKAJI J7.273G -CH$LINK: PUBCHEM SID:4664 +CH$LINK: PUBCHEM CID:445858 CH$LINK: INCHIKEY KSEBMYQBYZTDHS-HWKANZROSA-N CH$LINK: COMPTOX DTXSID70892035 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO001111.txt b/Keio_Univ/MSBNK-Keio_Univ-KO001111.txt index 787269c924e..aef195f7923 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO001111.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO001111.txt @@ -15,7 +15,7 @@ CH$LINK: CAS 1679-53-4 CH$LINK: CHEBI CHEBI:17409 CH$LINK: KEGG C02774 CH$LINK: NIKKAJI J195.322B -CH$LINK: PUBCHEM SID:5726 +CH$LINK: PUBCHEM CID:74300 CH$LINK: INCHIKEY YJCJVMMDTBEITC-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID10168428 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO001112.txt b/Keio_Univ/MSBNK-Keio_Univ-KO001112.txt index 7682579e846..57174e05edb 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO001112.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO001112.txt @@ -15,7 +15,7 @@ CH$LINK: CAS 1679-53-4 CH$LINK: CHEBI CHEBI:17409 CH$LINK: KEGG C02774 CH$LINK: NIKKAJI J195.322B -CH$LINK: PUBCHEM SID:5726 +CH$LINK: PUBCHEM CID:74300 CH$LINK: INCHIKEY YJCJVMMDTBEITC-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID10168428 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO001113.txt b/Keio_Univ/MSBNK-Keio_Univ-KO001113.txt index 0772e534ee1..baaae890f39 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO001113.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO001113.txt @@ -15,7 +15,7 @@ CH$LINK: CAS 1679-53-4 CH$LINK: CHEBI CHEBI:17409 CH$LINK: KEGG C02774 CH$LINK: NIKKAJI J195.322B -CH$LINK: PUBCHEM SID:5726 +CH$LINK: PUBCHEM CID:74300 CH$LINK: INCHIKEY YJCJVMMDTBEITC-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID10168428 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO001114.txt b/Keio_Univ/MSBNK-Keio_Univ-KO001114.txt index 93867d1a631..de2224b5d67 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO001114.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO001114.txt @@ -15,7 +15,7 @@ CH$LINK: CAS 1679-53-4 CH$LINK: CHEBI CHEBI:17409 CH$LINK: KEGG C02774 CH$LINK: NIKKAJI J195.322B -CH$LINK: PUBCHEM SID:5726 +CH$LINK: PUBCHEM CID:74300 CH$LINK: INCHIKEY YJCJVMMDTBEITC-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID10168428 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO001115.txt b/Keio_Univ/MSBNK-Keio_Univ-KO001115.txt index 47ed624158c..8a13d126930 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO001115.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO001115.txt @@ -14,7 +14,7 @@ CH$SMILES: Oc(c1)ccc(c1)[C@@H](O)C(O)=O CH$IUPAC: InChI=1S/C8H8O4/c9-6-3-1-5(2-4-6)7(10)8(11)12/h1-4,7,9-10H,(H,11,12)/t7-/m1/s1 CH$LINK: CHEBI CHEBI:32803 CH$LINK: KEGG C05343 -CH$LINK: PUBCHEM SID:7721 +CH$LINK: PUBCHEM CID:440639 CH$LINK: INCHIKEY YHXHKYRQLYQUIH-SSDOTTSWSA-N AC$INSTRUMENT: API3000, Applied Biosystems AC$INSTRUMENT_TYPE: LC-ESI-QQ diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO001116.txt b/Keio_Univ/MSBNK-Keio_Univ-KO001116.txt index cac37bee8ca..5e80d429154 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO001116.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO001116.txt @@ -14,7 +14,7 @@ CH$SMILES: Oc(c1)ccc(c1)[C@@H](O)C(O)=O CH$IUPAC: InChI=1S/C8H8O4/c9-6-3-1-5(2-4-6)7(10)8(11)12/h1-4,7,9-10H,(H,11,12)/t7-/m1/s1 CH$LINK: CHEBI CHEBI:32803 CH$LINK: KEGG C05343 -CH$LINK: PUBCHEM SID:7721 +CH$LINK: PUBCHEM CID:440639 CH$LINK: INCHIKEY YHXHKYRQLYQUIH-SSDOTTSWSA-N AC$INSTRUMENT: API3000, Applied Biosystems AC$INSTRUMENT_TYPE: LC-ESI-QQ diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO001117.txt b/Keio_Univ/MSBNK-Keio_Univ-KO001117.txt index 6098e22c39a..803394cb71d 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO001117.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO001117.txt @@ -14,7 +14,7 @@ CH$SMILES: Oc(c1)ccc(c1)[C@@H](O)C(O)=O CH$IUPAC: InChI=1S/C8H8O4/c9-6-3-1-5(2-4-6)7(10)8(11)12/h1-4,7,9-10H,(H,11,12)/t7-/m1/s1 CH$LINK: CHEBI CHEBI:32803 CH$LINK: KEGG C05343 -CH$LINK: PUBCHEM SID:7721 +CH$LINK: PUBCHEM CID:440639 CH$LINK: INCHIKEY YHXHKYRQLYQUIH-SSDOTTSWSA-N AC$INSTRUMENT: API3000, Applied Biosystems AC$INSTRUMENT_TYPE: LC-ESI-QQ diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO001118.txt b/Keio_Univ/MSBNK-Keio_Univ-KO001118.txt index 3c5125474b0..b7d139432a2 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO001118.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO001118.txt @@ -14,7 +14,7 @@ CH$SMILES: Oc(c1)ccc(c1)[C@@H](O)C(O)=O CH$IUPAC: InChI=1S/C8H8O4/c9-6-3-1-5(2-4-6)7(10)8(11)12/h1-4,7,9-10H,(H,11,12)/t7-/m1/s1 CH$LINK: CHEBI CHEBI:32803 CH$LINK: KEGG C05343 -CH$LINK: PUBCHEM SID:7721 +CH$LINK: PUBCHEM CID:440639 CH$LINK: INCHIKEY YHXHKYRQLYQUIH-SSDOTTSWSA-N AC$INSTRUMENT: API3000, Applied Biosystems AC$INSTRUMENT_TYPE: LC-ESI-QQ diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO001119.txt b/Keio_Univ/MSBNK-Keio_Univ-KO001119.txt index 058e57f0aa4..1d772107b15 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO001119.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO001119.txt @@ -14,7 +14,7 @@ CH$SMILES: Oc(c1)ccc(c1)[C@@H](O)C(O)=O CH$IUPAC: InChI=1S/C8H8O4/c9-6-3-1-5(2-4-6)7(10)8(11)12/h1-4,7,9-10H,(H,11,12)/t7-/m1/s1 CH$LINK: CHEBI CHEBI:32803 CH$LINK: KEGG C05343 -CH$LINK: PUBCHEM SID:7721 +CH$LINK: PUBCHEM CID:440639 CH$LINK: INCHIKEY YHXHKYRQLYQUIH-SSDOTTSWSA-N AC$INSTRUMENT: API3000, Applied Biosystems AC$INSTRUMENT_TYPE: LC-ESI-QQ diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO001120.txt b/Keio_Univ/MSBNK-Keio_Univ-KO001120.txt index 3364adfe1b8..1e11a6b94bc 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO001120.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO001120.txt @@ -20,7 +20,7 @@ CH$LINK: CAS 503-49-1 CH$LINK: CHEBI CHEBI:30919 CH$LINK: KEGG C03761 CH$LINK: NIKKAJI J6.212J -CH$LINK: PUBCHEM SID:6518 +CH$LINK: PUBCHEM CID:1662 CH$LINK: INCHIKEY NPOAOTPXWNWTSH-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID90198304 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO001121.txt b/Keio_Univ/MSBNK-Keio_Univ-KO001121.txt index 715df2909e6..154ea074237 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO001121.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO001121.txt @@ -20,7 +20,7 @@ CH$LINK: CAS 503-49-1 CH$LINK: CHEBI CHEBI:30919 CH$LINK: KEGG C03761 CH$LINK: NIKKAJI J6.212J -CH$LINK: PUBCHEM SID:6518 +CH$LINK: PUBCHEM CID:1662 CH$LINK: INCHIKEY NPOAOTPXWNWTSH-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID90198304 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO001122.txt b/Keio_Univ/MSBNK-Keio_Univ-KO001122.txt index 9b87b2a5420..f1b44f13045 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO001122.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO001122.txt @@ -20,7 +20,7 @@ CH$LINK: CAS 503-49-1 CH$LINK: CHEBI CHEBI:30919 CH$LINK: KEGG C03761 CH$LINK: NIKKAJI J6.212J -CH$LINK: PUBCHEM SID:6518 +CH$LINK: PUBCHEM CID:1662 CH$LINK: INCHIKEY NPOAOTPXWNWTSH-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID90198304 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO001123.txt b/Keio_Univ/MSBNK-Keio_Univ-KO001123.txt index abfce46e973..66592483b66 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO001123.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO001123.txt @@ -20,7 +20,7 @@ CH$LINK: CAS 503-49-1 CH$LINK: CHEBI CHEBI:30919 CH$LINK: KEGG C03761 CH$LINK: NIKKAJI J6.212J -CH$LINK: PUBCHEM SID:6518 +CH$LINK: PUBCHEM CID:1662 CH$LINK: INCHIKEY NPOAOTPXWNWTSH-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID90198304 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO001124.txt b/Keio_Univ/MSBNK-Keio_Univ-KO001124.txt index 2414eea5135..97acc151c0c 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO001124.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO001124.txt @@ -20,7 +20,7 @@ CH$LINK: CAS 503-49-1 CH$LINK: CHEBI CHEBI:30919 CH$LINK: KEGG C03761 CH$LINK: NIKKAJI J6.212J -CH$LINK: PUBCHEM SID:6518 +CH$LINK: PUBCHEM CID:1662 CH$LINK: INCHIKEY NPOAOTPXWNWTSH-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID90198304 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO001130.txt b/Keio_Univ/MSBNK-Keio_Univ-KO001130.txt index e29538ac237..94db14596cd 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO001130.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO001130.txt @@ -15,7 +15,7 @@ CH$IUPAC: InChI=1S/C6H12O3/c1-4(2)3-5(7)6(8)9/h4-5,7H,3H2,1-2H3,(H,8,9)/t5-/m1/s CH$LINK: CAS 20312-37-2 CH$LINK: KEGG C03264 CH$LINK: NIKKAJI J84.593K -CH$LINK: PUBCHEM SID:6128 +CH$LINK: PUBCHEM CID:439960 CH$LINK: INCHIKEY LVRFTAZAXQPQHI-RXMQYKEDSA-N CH$LINK: COMPTOX DTXSID10331458 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO001131.txt b/Keio_Univ/MSBNK-Keio_Univ-KO001131.txt index c56ebd5bada..50b6cfbf25f 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO001131.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO001131.txt @@ -15,7 +15,7 @@ CH$IUPAC: InChI=1S/C6H12O3/c1-4(2)3-5(7)6(8)9/h4-5,7H,3H2,1-2H3,(H,8,9)/t5-/m1/s CH$LINK: CAS 20312-37-2 CH$LINK: KEGG C03264 CH$LINK: NIKKAJI J84.593K -CH$LINK: PUBCHEM SID:6128 +CH$LINK: PUBCHEM CID:439960 CH$LINK: INCHIKEY LVRFTAZAXQPQHI-RXMQYKEDSA-N CH$LINK: COMPTOX DTXSID10331458 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO001132.txt b/Keio_Univ/MSBNK-Keio_Univ-KO001132.txt index ae097406730..f0460b4a2fd 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO001132.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO001132.txt @@ -15,7 +15,7 @@ CH$IUPAC: InChI=1S/C6H12O3/c1-4(2)3-5(7)6(8)9/h4-5,7H,3H2,1-2H3,(H,8,9)/t5-/m1/s CH$LINK: CAS 20312-37-2 CH$LINK: KEGG C03264 CH$LINK: NIKKAJI J84.593K -CH$LINK: PUBCHEM SID:6128 +CH$LINK: PUBCHEM CID:439960 CH$LINK: INCHIKEY LVRFTAZAXQPQHI-RXMQYKEDSA-N CH$LINK: COMPTOX DTXSID10331458 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO001133.txt b/Keio_Univ/MSBNK-Keio_Univ-KO001133.txt index 364a462d920..4500e618c12 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO001133.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO001133.txt @@ -15,7 +15,7 @@ CH$IUPAC: InChI=1S/C6H12O3/c1-4(2)3-5(7)6(8)9/h4-5,7H,3H2,1-2H3,(H,8,9)/t5-/m1/s CH$LINK: CAS 20312-37-2 CH$LINK: KEGG C03264 CH$LINK: NIKKAJI J84.593K -CH$LINK: PUBCHEM SID:6128 +CH$LINK: PUBCHEM CID:439960 CH$LINK: INCHIKEY LVRFTAZAXQPQHI-RXMQYKEDSA-N CH$LINK: COMPTOX DTXSID10331458 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO001134.txt b/Keio_Univ/MSBNK-Keio_Univ-KO001134.txt index 0b018b84b41..4200a81bccc 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO001134.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO001134.txt @@ -15,7 +15,7 @@ CH$IUPAC: InChI=1S/C6H12O3/c1-4(2)3-5(7)6(8)9/h4-5,7H,3H2,1-2H3,(H,8,9)/t5-/m1/s CH$LINK: CAS 20312-37-2 CH$LINK: KEGG C03264 CH$LINK: NIKKAJI J84.593K -CH$LINK: PUBCHEM SID:6128 +CH$LINK: PUBCHEM CID:439960 CH$LINK: INCHIKEY LVRFTAZAXQPQHI-RXMQYKEDSA-N CH$LINK: COMPTOX DTXSID10331458 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO001135.txt b/Keio_Univ/MSBNK-Keio_Univ-KO001135.txt index cbd3b73abf7..f9df237a489 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO001135.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO001135.txt @@ -12,7 +12,7 @@ CH$EXACT_MASS: 184.99941 CH$SMILES: N[C@@H](COS(O)(=O)=O)C(O)=O CH$IUPAC: InChI=1S/C3H7NO6S/c4-2(3(5)6)1-10-11(7,8)9/h2H,1,4H2,(H,5,6)(H,7,8,9)/t2-/m0/s1 CH$LINK: KEGG C02703 -CH$LINK: PUBCHEM SID:5666 +CH$LINK: PUBCHEM CID:164701 CH$LINK: INCHIKEY LFZGUGJDVUUGLK-REOHCLBHSA-N CH$LINK: COMPTOX DTXSID80211652 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO001136.txt b/Keio_Univ/MSBNK-Keio_Univ-KO001136.txt index 7dd3ee10696..95c08883961 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO001136.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO001136.txt @@ -12,7 +12,7 @@ CH$EXACT_MASS: 184.99941 CH$SMILES: N[C@@H](COS(O)(=O)=O)C(O)=O CH$IUPAC: InChI=1S/C3H7NO6S/c4-2(3(5)6)1-10-11(7,8)9/h2H,1,4H2,(H,5,6)(H,7,8,9)/t2-/m0/s1 CH$LINK: KEGG C02703 -CH$LINK: PUBCHEM SID:5666 +CH$LINK: PUBCHEM CID:164701 CH$LINK: INCHIKEY LFZGUGJDVUUGLK-REOHCLBHSA-N CH$LINK: COMPTOX DTXSID80211652 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO001137.txt b/Keio_Univ/MSBNK-Keio_Univ-KO001137.txt index 76259bf0b20..08622ba4815 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO001137.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO001137.txt @@ -12,7 +12,7 @@ CH$EXACT_MASS: 184.99941 CH$SMILES: N[C@@H](COS(O)(=O)=O)C(O)=O CH$IUPAC: InChI=1S/C3H7NO6S/c4-2(3(5)6)1-10-11(7,8)9/h2H,1,4H2,(H,5,6)(H,7,8,9)/t2-/m0/s1 CH$LINK: KEGG C02703 -CH$LINK: PUBCHEM SID:5666 +CH$LINK: PUBCHEM CID:164701 CH$LINK: INCHIKEY LFZGUGJDVUUGLK-REOHCLBHSA-N CH$LINK: COMPTOX DTXSID80211652 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO001138.txt b/Keio_Univ/MSBNK-Keio_Univ-KO001138.txt index acebcc9a0f5..a9481c8a633 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO001138.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO001138.txt @@ -12,7 +12,7 @@ CH$EXACT_MASS: 184.99941 CH$SMILES: N[C@@H](COS(O)(=O)=O)C(O)=O CH$IUPAC: InChI=1S/C3H7NO6S/c4-2(3(5)6)1-10-11(7,8)9/h2H,1,4H2,(H,5,6)(H,7,8,9)/t2-/m0/s1 CH$LINK: KEGG C02703 -CH$LINK: PUBCHEM SID:5666 +CH$LINK: PUBCHEM CID:164701 CH$LINK: INCHIKEY LFZGUGJDVUUGLK-REOHCLBHSA-N CH$LINK: COMPTOX DTXSID80211652 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO001139.txt b/Keio_Univ/MSBNK-Keio_Univ-KO001139.txt index d54e65dad2c..ab2102586fc 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO001139.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO001139.txt @@ -12,7 +12,7 @@ CH$EXACT_MASS: 184.99941 CH$SMILES: N[C@@H](COS(O)(=O)=O)C(O)=O CH$IUPAC: InChI=1S/C3H7NO6S/c4-2(3(5)6)1-10-11(7,8)9/h2H,1,4H2,(H,5,6)(H,7,8,9)/t2-/m0/s1 CH$LINK: KEGG C02703 -CH$LINK: PUBCHEM SID:5666 +CH$LINK: PUBCHEM CID:164701 CH$LINK: INCHIKEY LFZGUGJDVUUGLK-REOHCLBHSA-N CH$LINK: COMPTOX DTXSID80211652 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO001140.txt b/Keio_Univ/MSBNK-Keio_Univ-KO001140.txt index 1f62982d237..5a44f3a98c3 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO001140.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO001140.txt @@ -13,7 +13,7 @@ CH$EXACT_MASS: 166.06299 CH$SMILES: OC(=O)C(C)c(c1)ccc(O)c1 CH$IUPAC: InChI=1S/C9H10O3/c1-6(9(11)12)7-2-4-8(10)5-3-7/h2-6,10H,1H3,(H,11,12) CH$LINK: KEGG C03080 -CH$LINK: PUBCHEM SID:5978 +CH$LINK: PUBCHEM CID:102526 CH$LINK: INCHIKEY ZHMMPVANGNPCBW-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID90917911 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO001141.txt b/Keio_Univ/MSBNK-Keio_Univ-KO001141.txt index c38959d097a..acb89efbad4 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO001141.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO001141.txt @@ -13,7 +13,7 @@ CH$EXACT_MASS: 166.06299 CH$SMILES: OC(=O)C(C)c(c1)ccc(O)c1 CH$IUPAC: InChI=1S/C9H10O3/c1-6(9(11)12)7-2-4-8(10)5-3-7/h2-6,10H,1H3,(H,11,12) CH$LINK: KEGG C03080 -CH$LINK: PUBCHEM SID:5978 +CH$LINK: PUBCHEM CID:102526 CH$LINK: INCHIKEY ZHMMPVANGNPCBW-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID90917911 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO001142.txt b/Keio_Univ/MSBNK-Keio_Univ-KO001142.txt index 52e250b3584..1f881842696 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO001142.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO001142.txt @@ -13,7 +13,7 @@ CH$EXACT_MASS: 166.06299 CH$SMILES: OC(=O)C(C)c(c1)ccc(O)c1 CH$IUPAC: InChI=1S/C9H10O3/c1-6(9(11)12)7-2-4-8(10)5-3-7/h2-6,10H,1H3,(H,11,12) CH$LINK: KEGG C03080 -CH$LINK: PUBCHEM SID:5978 +CH$LINK: PUBCHEM CID:102526 CH$LINK: INCHIKEY ZHMMPVANGNPCBW-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID90917911 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO001143.txt b/Keio_Univ/MSBNK-Keio_Univ-KO001143.txt index 82a84b40f5f..ef6443bfa41 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO001143.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO001143.txt @@ -13,7 +13,7 @@ CH$EXACT_MASS: 166.06299 CH$SMILES: OC(=O)C(C)c(c1)ccc(O)c1 CH$IUPAC: InChI=1S/C9H10O3/c1-6(9(11)12)7-2-4-8(10)5-3-7/h2-6,10H,1H3,(H,11,12) CH$LINK: KEGG C03080 -CH$LINK: PUBCHEM SID:5978 +CH$LINK: PUBCHEM CID:102526 CH$LINK: INCHIKEY ZHMMPVANGNPCBW-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID90917911 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO001144.txt b/Keio_Univ/MSBNK-Keio_Univ-KO001144.txt index da4af18a6b3..8f0bdbaa62e 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO001144.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO001144.txt @@ -13,7 +13,7 @@ CH$EXACT_MASS: 166.06299 CH$SMILES: OC(=O)C(C)c(c1)ccc(O)c1 CH$IUPAC: InChI=1S/C9H10O3/c1-6(9(11)12)7-2-4-8(10)5-3-7/h2-6,10H,1H3,(H,11,12) CH$LINK: KEGG C03080 -CH$LINK: PUBCHEM SID:5978 +CH$LINK: PUBCHEM CID:102526 CH$LINK: INCHIKEY ZHMMPVANGNPCBW-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID90917911 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO001145.txt b/Keio_Univ/MSBNK-Keio_Univ-KO001145.txt index 2eae107e12d..f190083cc04 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO001145.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO001145.txt @@ -20,7 +20,7 @@ CH$LINK: CAS 503-66-2 CH$LINK: CHEBI CHEBI:16510 CH$LINK: KEGG C01013 CH$LINK: NIKKAJI J6.213H -CH$LINK: PUBCHEM SID:4258 +CH$LINK: PUBCHEM CID:68152 CH$LINK: INCHIKEY ALRHLSYJTWAHJZ-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID50198305 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO001146.txt b/Keio_Univ/MSBNK-Keio_Univ-KO001146.txt index a39e90d4e54..4e30011481f 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO001146.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO001146.txt @@ -20,7 +20,7 @@ CH$LINK: CAS 503-66-2 CH$LINK: CHEBI CHEBI:16510 CH$LINK: KEGG C01013 CH$LINK: NIKKAJI J6.213H -CH$LINK: PUBCHEM SID:4258 +CH$LINK: PUBCHEM CID:68152 CH$LINK: INCHIKEY ALRHLSYJTWAHJZ-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID50198305 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO001147.txt b/Keio_Univ/MSBNK-Keio_Univ-KO001147.txt index 8508ea89355..edd2f1aa148 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO001147.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO001147.txt @@ -20,7 +20,7 @@ CH$LINK: CAS 503-66-2 CH$LINK: CHEBI CHEBI:16510 CH$LINK: KEGG C01013 CH$LINK: NIKKAJI J6.213H -CH$LINK: PUBCHEM SID:4258 +CH$LINK: PUBCHEM CID:68152 CH$LINK: INCHIKEY ALRHLSYJTWAHJZ-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID50198305 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO001148.txt b/Keio_Univ/MSBNK-Keio_Univ-KO001148.txt index 3b3bf1b310e..118e2407a47 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO001148.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO001148.txt @@ -20,7 +20,7 @@ CH$LINK: CAS 503-66-2 CH$LINK: CHEBI CHEBI:16510 CH$LINK: KEGG C01013 CH$LINK: NIKKAJI J6.213H -CH$LINK: PUBCHEM SID:4258 +CH$LINK: PUBCHEM CID:68152 CH$LINK: INCHIKEY ALRHLSYJTWAHJZ-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID50198305 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO001149.txt b/Keio_Univ/MSBNK-Keio_Univ-KO001149.txt index 7bed97e9ce6..9d72f18c337 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO001149.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO001149.txt @@ -20,7 +20,7 @@ CH$LINK: CAS 503-66-2 CH$LINK: CHEBI CHEBI:16510 CH$LINK: KEGG C01013 CH$LINK: NIKKAJI J6.213H -CH$LINK: PUBCHEM SID:4258 +CH$LINK: PUBCHEM CID:68152 CH$LINK: INCHIKEY ALRHLSYJTWAHJZ-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID50198305 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO001150.txt b/Keio_Univ/MSBNK-Keio_Univ-KO001150.txt index 950470fe811..910f85b293a 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO001150.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO001150.txt @@ -16,7 +16,7 @@ CH$LINK: CAS 121-34-6 CH$LINK: CHEBI CHEBI:30816 CH$LINK: KEGG C06672 CH$LINK: NIKKAJI J5.337F -CH$LINK: PUBCHEM SID:8897 +CH$LINK: PUBCHEM CID:8468 CH$LINK: INCHIKEY WKOLLVMJNQIZCI-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID6059522 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO001151.txt b/Keio_Univ/MSBNK-Keio_Univ-KO001151.txt index 2622b3d3f15..ef28d562331 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO001151.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO001151.txt @@ -16,7 +16,7 @@ CH$LINK: CAS 121-34-6 CH$LINK: CHEBI CHEBI:30816 CH$LINK: KEGG C06672 CH$LINK: NIKKAJI J5.337F -CH$LINK: PUBCHEM SID:8897 +CH$LINK: PUBCHEM CID:8468 CH$LINK: INCHIKEY WKOLLVMJNQIZCI-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID6059522 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO001152.txt b/Keio_Univ/MSBNK-Keio_Univ-KO001152.txt index 5aa241f4c80..b90b1a1a0ac 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO001152.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO001152.txt @@ -16,7 +16,7 @@ CH$LINK: CAS 121-34-6 CH$LINK: CHEBI CHEBI:30816 CH$LINK: KEGG C06672 CH$LINK: NIKKAJI J5.337F -CH$LINK: PUBCHEM SID:8897 +CH$LINK: PUBCHEM CID:8468 CH$LINK: INCHIKEY WKOLLVMJNQIZCI-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID6059522 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO001153.txt b/Keio_Univ/MSBNK-Keio_Univ-KO001153.txt index 25ae4d4b22e..0e30694bd3b 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO001153.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO001153.txt @@ -16,7 +16,7 @@ CH$LINK: CAS 121-34-6 CH$LINK: CHEBI CHEBI:30816 CH$LINK: KEGG C06672 CH$LINK: NIKKAJI J5.337F -CH$LINK: PUBCHEM SID:8897 +CH$LINK: PUBCHEM CID:8468 CH$LINK: INCHIKEY WKOLLVMJNQIZCI-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID6059522 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO001154.txt b/Keio_Univ/MSBNK-Keio_Univ-KO001154.txt index 77a73e26ff3..c3af56c345b 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO001154.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO001154.txt @@ -16,7 +16,7 @@ CH$LINK: CAS 121-34-6 CH$LINK: CHEBI CHEBI:30816 CH$LINK: KEGG C06672 CH$LINK: NIKKAJI J5.337F -CH$LINK: PUBCHEM SID:8897 +CH$LINK: PUBCHEM CID:8468 CH$LINK: INCHIKEY WKOLLVMJNQIZCI-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID6059522 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO001155.txt b/Keio_Univ/MSBNK-Keio_Univ-KO001155.txt index 15b90ec93e9..cfa5db539df 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO001155.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO001155.txt @@ -15,7 +15,7 @@ CH$LINK: CAS 611-36-9 CH$LINK: CHEBI CHEBI:15815 CH$LINK: KEGG C06343 CH$LINK: NIKKAJI J7.017C -CH$LINK: PUBCHEM SID:8579 +CH$LINK: PUBCHEM CID:69141 CH$LINK: INCHIKEY PMZDQRJGMBOQBF-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID50209980 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO001156.txt b/Keio_Univ/MSBNK-Keio_Univ-KO001156.txt index 98de2554faa..79d26d010c4 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO001156.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO001156.txt @@ -15,7 +15,7 @@ CH$LINK: CAS 611-36-9 CH$LINK: CHEBI CHEBI:15815 CH$LINK: KEGG C06343 CH$LINK: NIKKAJI J7.017C -CH$LINK: PUBCHEM SID:8579 +CH$LINK: PUBCHEM CID:69141 CH$LINK: INCHIKEY PMZDQRJGMBOQBF-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID50209980 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO001157.txt b/Keio_Univ/MSBNK-Keio_Univ-KO001157.txt index 2e8f331709b..2714f9ac4fd 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO001157.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO001157.txt @@ -15,7 +15,7 @@ CH$LINK: CAS 611-36-9 CH$LINK: CHEBI CHEBI:15815 CH$LINK: KEGG C06343 CH$LINK: NIKKAJI J7.017C -CH$LINK: PUBCHEM SID:8579 +CH$LINK: PUBCHEM CID:69141 CH$LINK: INCHIKEY PMZDQRJGMBOQBF-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID50209980 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO001158.txt b/Keio_Univ/MSBNK-Keio_Univ-KO001158.txt index 8f14380fb8a..72062f903ad 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO001158.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO001158.txt @@ -15,7 +15,7 @@ CH$LINK: CAS 611-36-9 CH$LINK: CHEBI CHEBI:15815 CH$LINK: KEGG C06343 CH$LINK: NIKKAJI J7.017C -CH$LINK: PUBCHEM SID:8579 +CH$LINK: PUBCHEM CID:69141 CH$LINK: INCHIKEY PMZDQRJGMBOQBF-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID50209980 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO001159.txt b/Keio_Univ/MSBNK-Keio_Univ-KO001159.txt index b46583ed1f7..9d42b0eb5e2 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO001159.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO001159.txt @@ -15,7 +15,7 @@ CH$LINK: CAS 611-36-9 CH$LINK: CHEBI CHEBI:15815 CH$LINK: KEGG C06343 CH$LINK: NIKKAJI J7.017C -CH$LINK: PUBCHEM SID:8579 +CH$LINK: PUBCHEM CID:69141 CH$LINK: INCHIKEY PMZDQRJGMBOQBF-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID50209980 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO001160.txt b/Keio_Univ/MSBNK-Keio_Univ-KO001160.txt index 9373da26dce..467b579210d 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO001160.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO001160.txt @@ -18,7 +18,7 @@ CH$LINK: CAS 320-77-4 CH$LINK: CHEBI CHEBI:30887 CH$LINK: KEGG C00311 CH$LINK: NIKKAJI J95.796H -CH$LINK: PUBCHEM SID:3605 +CH$LINK: PUBCHEM CID:1198 CH$LINK: INCHIKEY ODBLHEXUDAPZAU-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID60861871 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO001161.txt b/Keio_Univ/MSBNK-Keio_Univ-KO001161.txt index 4d1410f21b4..ea26b5d9dea 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO001161.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO001161.txt @@ -18,7 +18,7 @@ CH$LINK: CAS 320-77-4 CH$LINK: CHEBI CHEBI:30887 CH$LINK: KEGG C00311 CH$LINK: NIKKAJI J95.796H -CH$LINK: PUBCHEM SID:3605 +CH$LINK: PUBCHEM CID:1198 CH$LINK: INCHIKEY ODBLHEXUDAPZAU-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID60861871 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO001162.txt b/Keio_Univ/MSBNK-Keio_Univ-KO001162.txt index 38d17c0c84b..04356220e24 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO001162.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO001162.txt @@ -18,7 +18,7 @@ CH$LINK: CAS 320-77-4 CH$LINK: CHEBI CHEBI:30887 CH$LINK: KEGG C00311 CH$LINK: NIKKAJI J95.796H -CH$LINK: PUBCHEM SID:3605 +CH$LINK: PUBCHEM CID:1198 CH$LINK: INCHIKEY ODBLHEXUDAPZAU-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID60861871 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO001163.txt b/Keio_Univ/MSBNK-Keio_Univ-KO001163.txt index ad7887b8dc1..bf6fd62b738 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO001163.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO001163.txt @@ -18,7 +18,7 @@ CH$LINK: CAS 320-77-4 CH$LINK: CHEBI CHEBI:30887 CH$LINK: KEGG C00311 CH$LINK: NIKKAJI J95.796H -CH$LINK: PUBCHEM SID:3605 +CH$LINK: PUBCHEM CID:1198 CH$LINK: INCHIKEY ODBLHEXUDAPZAU-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID60861871 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO001164.txt b/Keio_Univ/MSBNK-Keio_Univ-KO001164.txt index 7b87077bffd..63bf95b6f07 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO001164.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO001164.txt @@ -18,7 +18,7 @@ CH$LINK: CAS 320-77-4 CH$LINK: CHEBI CHEBI:30887 CH$LINK: KEGG C00311 CH$LINK: NIKKAJI J95.796H -CH$LINK: PUBCHEM SID:3605 +CH$LINK: PUBCHEM CID:1198 CH$LINK: INCHIKEY ODBLHEXUDAPZAU-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID60861871 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO001165.txt b/Keio_Univ/MSBNK-Keio_Univ-KO001165.txt index 8bd11710d38..b7c06867196 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO001165.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO001165.txt @@ -19,7 +19,7 @@ CH$IUPAC: InChI=1S/C11H9NO3/c13-10(11(14)15)5-7-6-12-9-4-2-1-3-8(7)9/h1-4,6,12H, CH$LINK: CAS 35656-49-6 CH$LINK: CHEBI CHEBI:29750 CH$LINK: KEGG C00331 -CH$LINK: PUBCHEM SID:3625 +CH$LINK: PUBCHEM CID:803 CH$LINK: INCHIKEY RSTKLPZEZYGQPY-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID3042053 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO001166.txt b/Keio_Univ/MSBNK-Keio_Univ-KO001166.txt index 8edbee7755e..4677be0f532 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO001166.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO001166.txt @@ -18,7 +18,7 @@ CH$IUPAC: InChI=1S/C11H9NO3/c13-10(11(14)15)5-7-6-12-9-4-2-1-3-8(7)9/h1-4,6,12H, CH$LINK: CAS 35656-49-6 CH$LINK: CHEBI CHEBI:29750 CH$LINK: KEGG C00331 -CH$LINK: PUBCHEM SID:3625 +CH$LINK: PUBCHEM CID:803 CH$LINK: INCHIKEY RSTKLPZEZYGQPY-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID3042053 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO001167.txt b/Keio_Univ/MSBNK-Keio_Univ-KO001167.txt index a68096130f9..0534967b555 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO001167.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO001167.txt @@ -18,7 +18,7 @@ CH$IUPAC: InChI=1S/C11H9NO3/c13-10(11(14)15)5-7-6-12-9-4-2-1-3-8(7)9/h1-4,6,12H, CH$LINK: CAS 35656-49-6 CH$LINK: CHEBI CHEBI:29750 CH$LINK: KEGG C00331 -CH$LINK: PUBCHEM SID:3625 +CH$LINK: PUBCHEM CID:803 CH$LINK: INCHIKEY RSTKLPZEZYGQPY-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID3042053 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO001168.txt b/Keio_Univ/MSBNK-Keio_Univ-KO001168.txt index 8153f0c2dc4..f66f1cd7c52 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO001168.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO001168.txt @@ -18,7 +18,7 @@ CH$IUPAC: InChI=1S/C11H9NO3/c13-10(11(14)15)5-7-6-12-9-4-2-1-3-8(7)9/h1-4,6,12H, CH$LINK: CAS 35656-49-6 CH$LINK: CHEBI CHEBI:29750 CH$LINK: KEGG C00331 -CH$LINK: PUBCHEM SID:3625 +CH$LINK: PUBCHEM CID:803 CH$LINK: INCHIKEY RSTKLPZEZYGQPY-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID3042053 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO001169.txt b/Keio_Univ/MSBNK-Keio_Univ-KO001169.txt index c0354a1df13..3a7ddaab3ae 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO001169.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO001169.txt @@ -18,7 +18,7 @@ CH$IUPAC: InChI=1S/C11H9NO3/c13-10(11(14)15)5-7-6-12-9-4-2-1-3-8(7)9/h1-4,6,12H, CH$LINK: CAS 35656-49-6 CH$LINK: CHEBI CHEBI:29750 CH$LINK: KEGG C00331 -CH$LINK: PUBCHEM SID:3625 +CH$LINK: PUBCHEM CID:803 CH$LINK: INCHIKEY RSTKLPZEZYGQPY-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID3042053 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO001170.txt b/Keio_Univ/MSBNK-Keio_Univ-KO001170.txt index c24017fa865..c0dd4a29df0 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO001170.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO001170.txt @@ -14,7 +14,7 @@ CH$LINK: CAS 58-63-9 CH$LINK: CHEBI CHEBI:17596 CH$LINK: KEGG C00294 CH$LINK: NIKKAJI J1.388I -CH$LINK: PUBCHEM SID:3588 +CH$LINK: PUBCHEM CID:135398641 CH$LINK: INCHIKEY UGQMRVRMYYASKQ-KQYNXXCUSA-N CH$LINK: COMPTOX DTXSID2045993 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO001171.txt b/Keio_Univ/MSBNK-Keio_Univ-KO001171.txt index 9766e2915ed..84a69799c22 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO001171.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO001171.txt @@ -14,7 +14,7 @@ CH$LINK: CAS 58-63-9 CH$LINK: CHEBI CHEBI:17596 CH$LINK: KEGG C00294 CH$LINK: NIKKAJI J1.388I -CH$LINK: PUBCHEM SID:3588 +CH$LINK: PUBCHEM CID:135398641 CH$LINK: INCHIKEY UGQMRVRMYYASKQ-KQYNXXCUSA-N CH$LINK: COMPTOX DTXSID2045993 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO001172.txt b/Keio_Univ/MSBNK-Keio_Univ-KO001172.txt index dedfa06c982..ccdddcc173f 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO001172.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO001172.txt @@ -14,7 +14,7 @@ CH$LINK: CAS 58-63-9 CH$LINK: CHEBI CHEBI:17596 CH$LINK: KEGG C00294 CH$LINK: NIKKAJI J1.388I -CH$LINK: PUBCHEM SID:3588 +CH$LINK: PUBCHEM CID:135398641 CH$LINK: INCHIKEY UGQMRVRMYYASKQ-KQYNXXCUSA-N CH$LINK: COMPTOX DTXSID2045993 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO001173.txt b/Keio_Univ/MSBNK-Keio_Univ-KO001173.txt index 5117b5c004c..0afa4fea8a9 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO001173.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO001173.txt @@ -14,7 +14,7 @@ CH$LINK: CAS 58-63-9 CH$LINK: CHEBI CHEBI:17596 CH$LINK: KEGG C00294 CH$LINK: NIKKAJI J1.388I -CH$LINK: PUBCHEM SID:3588 +CH$LINK: PUBCHEM CID:135398641 CH$LINK: INCHIKEY UGQMRVRMYYASKQ-KQYNXXCUSA-N CH$LINK: COMPTOX DTXSID2045993 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO001174.txt b/Keio_Univ/MSBNK-Keio_Univ-KO001174.txt index ae3ef968c2c..966448b12b5 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO001174.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO001174.txt @@ -14,7 +14,7 @@ CH$LINK: CAS 58-63-9 CH$LINK: CHEBI CHEBI:17596 CH$LINK: KEGG C00294 CH$LINK: NIKKAJI J1.388I -CH$LINK: PUBCHEM SID:3588 +CH$LINK: PUBCHEM CID:135398641 CH$LINK: INCHIKEY UGQMRVRMYYASKQ-KQYNXXCUSA-N CH$LINK: COMPTOX DTXSID2045993 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO001175.txt b/Keio_Univ/MSBNK-Keio_Univ-KO001175.txt index 02b3b242b95..c8882ce06b5 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO001175.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO001175.txt @@ -17,7 +17,7 @@ CH$LINK: CHEBI CHEBI:17191 CH$LINK: CHEMPDB ILE CH$LINK: KEGG C00407 CH$LINK: NIKKAJI J2.818E -CH$LINK: PUBCHEM SID:3697 +CH$LINK: PUBCHEM CID:6306 CH$LINK: INCHIKEY AGPKZVBTJJNPAG-WHFBIAKZSA-N CH$LINK: COMPTOX DTXSID1047441 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO001176.txt b/Keio_Univ/MSBNK-Keio_Univ-KO001176.txt index 5e314c25b5f..e6ccb0de60f 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO001176.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO001176.txt @@ -17,7 +17,7 @@ CH$LINK: CHEBI CHEBI:17191 CH$LINK: CHEMPDB ILE CH$LINK: KEGG C00407 CH$LINK: NIKKAJI J2.818E -CH$LINK: PUBCHEM SID:3697 +CH$LINK: PUBCHEM CID:6306 CH$LINK: INCHIKEY AGPKZVBTJJNPAG-WHFBIAKZSA-N CH$LINK: COMPTOX DTXSID1047441 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO001177.txt b/Keio_Univ/MSBNK-Keio_Univ-KO001177.txt index af6940e7f07..a444dfd84ca 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO001177.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO001177.txt @@ -17,7 +17,7 @@ CH$LINK: CHEBI CHEBI:17191 CH$LINK: CHEMPDB ILE CH$LINK: KEGG C00407 CH$LINK: NIKKAJI J2.818E -CH$LINK: PUBCHEM SID:3697 +CH$LINK: PUBCHEM CID:6306 CH$LINK: INCHIKEY AGPKZVBTJJNPAG-WHFBIAKZSA-N CH$LINK: COMPTOX DTXSID1047441 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO001178.txt b/Keio_Univ/MSBNK-Keio_Univ-KO001178.txt index e9cf149ad1b..d48142d448c 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO001178.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO001178.txt @@ -17,7 +17,7 @@ CH$LINK: CHEBI CHEBI:17191 CH$LINK: CHEMPDB ILE CH$LINK: KEGG C00407 CH$LINK: NIKKAJI J2.818E -CH$LINK: PUBCHEM SID:3697 +CH$LINK: PUBCHEM CID:6306 CH$LINK: INCHIKEY AGPKZVBTJJNPAG-WHFBIAKZSA-N CH$LINK: COMPTOX DTXSID1047441 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO001179.txt b/Keio_Univ/MSBNK-Keio_Univ-KO001179.txt index 23c78084b2f..b351136abbf 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO001179.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO001179.txt @@ -17,7 +17,7 @@ CH$LINK: CHEBI CHEBI:17191 CH$LINK: CHEMPDB ILE CH$LINK: KEGG C00407 CH$LINK: NIKKAJI J2.818E -CH$LINK: PUBCHEM SID:3697 +CH$LINK: PUBCHEM CID:6306 CH$LINK: INCHIKEY AGPKZVBTJJNPAG-WHFBIAKZSA-N CH$LINK: COMPTOX DTXSID1047441 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO001180.txt b/Keio_Univ/MSBNK-Keio_Univ-KO001180.txt index ba327d54afd..7f44ef0e56f 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO001180.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO001180.txt @@ -20,7 +20,7 @@ CH$LINK: CHEBI CHEBI:16135 CH$LINK: CHEMPDB ISB CH$LINK: KEGG C02632 CH$LINK: NIKKAJI J3.840G -CH$LINK: PUBCHEM SID:5612 +CH$LINK: PUBCHEM CID:6590 CH$LINK: INCHIKEY KQNPFQTWMSNSAP-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID4021636 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO001181.txt b/Keio_Univ/MSBNK-Keio_Univ-KO001181.txt index dc024cd9187..5fd7c239c93 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO001181.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO001181.txt @@ -20,7 +20,7 @@ CH$LINK: CHEBI CHEBI:16135 CH$LINK: CHEMPDB ISB CH$LINK: KEGG C02632 CH$LINK: NIKKAJI J3.840G -CH$LINK: PUBCHEM SID:5612 +CH$LINK: PUBCHEM CID:6590 CH$LINK: INCHIKEY KQNPFQTWMSNSAP-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID4021636 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO001182.txt b/Keio_Univ/MSBNK-Keio_Univ-KO001182.txt index 03c7e18d2c6..f6bde67949b 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO001182.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO001182.txt @@ -20,7 +20,7 @@ CH$LINK: CHEBI CHEBI:16135 CH$LINK: CHEMPDB ISB CH$LINK: KEGG C02632 CH$LINK: NIKKAJI J3.840G -CH$LINK: PUBCHEM SID:5612 +CH$LINK: PUBCHEM CID:6590 CH$LINK: INCHIKEY KQNPFQTWMSNSAP-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID4021636 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO001183.txt b/Keio_Univ/MSBNK-Keio_Univ-KO001183.txt index b00d308780f..6124fd2a781 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO001183.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO001183.txt @@ -16,7 +16,7 @@ CH$LINK: CAS 97-65-4 CH$LINK: CHEBI CHEBI:30838 CH$LINK: KEGG C00490 CH$LINK: NIKKAJI J38.149G -CH$LINK: PUBCHEM SID:3773 +CH$LINK: PUBCHEM CID:811 CH$LINK: INCHIKEY LVHBHZANLOWSRM-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID2026608 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO001184.txt b/Keio_Univ/MSBNK-Keio_Univ-KO001184.txt index 27cd10e0298..b4259c554b4 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO001184.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO001184.txt @@ -16,7 +16,7 @@ CH$LINK: CAS 97-65-4 CH$LINK: CHEBI CHEBI:30838 CH$LINK: KEGG C00490 CH$LINK: NIKKAJI J38.149G -CH$LINK: PUBCHEM SID:3773 +CH$LINK: PUBCHEM CID:811 CH$LINK: INCHIKEY LVHBHZANLOWSRM-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID2026608 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO001185.txt b/Keio_Univ/MSBNK-Keio_Univ-KO001185.txt index e249f7ec9ee..7068dea4735 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO001185.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO001185.txt @@ -16,7 +16,7 @@ CH$LINK: CAS 97-65-4 CH$LINK: CHEBI CHEBI:30838 CH$LINK: KEGG C00490 CH$LINK: NIKKAJI J38.149G -CH$LINK: PUBCHEM SID:3773 +CH$LINK: PUBCHEM CID:811 CH$LINK: INCHIKEY LVHBHZANLOWSRM-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID2026608 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO001186.txt b/Keio_Univ/MSBNK-Keio_Univ-KO001186.txt index d6ff96dd199..81f57d85380 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO001186.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO001186.txt @@ -16,7 +16,7 @@ CH$LINK: CAS 97-65-4 CH$LINK: CHEBI CHEBI:30838 CH$LINK: KEGG C00490 CH$LINK: NIKKAJI J38.149G -CH$LINK: PUBCHEM SID:3773 +CH$LINK: PUBCHEM CID:811 CH$LINK: INCHIKEY LVHBHZANLOWSRM-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID2026608 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO001187.txt b/Keio_Univ/MSBNK-Keio_Univ-KO001187.txt index 522ce771624..4afcd5c34fc 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO001187.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO001187.txt @@ -16,7 +16,7 @@ CH$LINK: CAS 97-65-4 CH$LINK: CHEBI CHEBI:30838 CH$LINK: KEGG C00490 CH$LINK: NIKKAJI J38.149G -CH$LINK: PUBCHEM SID:3773 +CH$LINK: PUBCHEM CID:811 CH$LINK: INCHIKEY LVHBHZANLOWSRM-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID2026608 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO001193.txt b/Keio_Univ/MSBNK-Keio_Univ-KO001193.txt index 0860d739494..d8ce2bba72f 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO001193.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO001193.txt @@ -15,7 +15,7 @@ CH$IUPAC: InChI=1S/C5H10O2/c1-4(2)3-5(6)7/h4H,3H2,1-2H3,(H,6,7) CH$LINK: CAS 503-74-2 CH$LINK: KEGG C08262 CH$LINK: NIKKAJI J2.605K -CH$LINK: PUBCHEM SID:10461 +CH$LINK: PUBCHEM CID:10430 CH$LINK: INCHIKEY GWYFCOCPABKNJV-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID5029182 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO001194.txt b/Keio_Univ/MSBNK-Keio_Univ-KO001194.txt index b09fcf64774..6b27ec8ee62 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO001194.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO001194.txt @@ -15,7 +15,7 @@ CH$IUPAC: InChI=1S/C5H10O2/c1-4(2)3-5(6)7/h4H,3H2,1-2H3,(H,6,7) CH$LINK: CAS 503-74-2 CH$LINK: KEGG C08262 CH$LINK: NIKKAJI J2.605K -CH$LINK: PUBCHEM SID:10461 +CH$LINK: PUBCHEM CID:10430 CH$LINK: INCHIKEY GWYFCOCPABKNJV-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID5029182 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO001195.txt b/Keio_Univ/MSBNK-Keio_Univ-KO001195.txt index 6a9de7b0139..1e7cc8cae2c 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO001195.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO001195.txt @@ -15,7 +15,7 @@ CH$IUPAC: InChI=1S/C5H10O2/c1-4(2)3-5(6)7/h4H,3H2,1-2H3,(H,6,7) CH$LINK: CAS 503-74-2 CH$LINK: KEGG C08262 CH$LINK: NIKKAJI J2.605K -CH$LINK: PUBCHEM SID:10461 +CH$LINK: PUBCHEM CID:10430 CH$LINK: INCHIKEY GWYFCOCPABKNJV-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID5029182 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO001196.txt b/Keio_Univ/MSBNK-Keio_Univ-KO001196.txt index 7898c6af27c..53fa0f6a85b 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO001196.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO001196.txt @@ -15,7 +15,7 @@ CH$LINK: CHEBI CHEBI:27539 CH$LINK: CHEMPDB ISN CH$LINK: KEGG C11129 CH$LINK: NIKKAJI J4.342G -CH$LINK: PUBCHEM SID:13311 +CH$LINK: PUBCHEM CID:7054 CH$LINK: INCHIKEY JXDYKVIHCLTXOP-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID3038694 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO001197.txt b/Keio_Univ/MSBNK-Keio_Univ-KO001197.txt index 09c4b5e9281..8354ed6e32a 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO001197.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO001197.txt @@ -15,7 +15,7 @@ CH$LINK: CHEBI CHEBI:27539 CH$LINK: CHEMPDB ISN CH$LINK: KEGG C11129 CH$LINK: NIKKAJI J4.342G -CH$LINK: PUBCHEM SID:13311 +CH$LINK: PUBCHEM CID:7054 CH$LINK: INCHIKEY JXDYKVIHCLTXOP-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID3038694 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO001198.txt b/Keio_Univ/MSBNK-Keio_Univ-KO001198.txt index 525bb54420f..40b2864f328 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO001198.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO001198.txt @@ -15,7 +15,7 @@ CH$LINK: CHEBI CHEBI:27539 CH$LINK: CHEMPDB ISN CH$LINK: KEGG C11129 CH$LINK: NIKKAJI J4.342G -CH$LINK: PUBCHEM SID:13311 +CH$LINK: PUBCHEM CID:7054 CH$LINK: INCHIKEY JXDYKVIHCLTXOP-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID3038694 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO001199.txt b/Keio_Univ/MSBNK-Keio_Univ-KO001199.txt index df5958ca320..e84eb0d8d22 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO001199.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO001199.txt @@ -15,7 +15,7 @@ CH$LINK: CHEBI CHEBI:27539 CH$LINK: CHEMPDB ISN CH$LINK: KEGG C11129 CH$LINK: NIKKAJI J4.342G -CH$LINK: PUBCHEM SID:13311 +CH$LINK: PUBCHEM CID:7054 CH$LINK: INCHIKEY JXDYKVIHCLTXOP-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID3038694 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO001200.txt b/Keio_Univ/MSBNK-Keio_Univ-KO001200.txt index cc3ea816608..9875ed184d1 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO001200.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO001200.txt @@ -15,7 +15,7 @@ CH$LINK: CHEBI CHEBI:27539 CH$LINK: CHEMPDB ISN CH$LINK: KEGG C11129 CH$LINK: NIKKAJI J4.342G -CH$LINK: PUBCHEM SID:13311 +CH$LINK: PUBCHEM CID:7054 CH$LINK: INCHIKEY JXDYKVIHCLTXOP-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID3038694 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO001201.txt b/Keio_Univ/MSBNK-Keio_Univ-KO001201.txt index b28cc7948bf..fb1d5326695 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO001201.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO001201.txt @@ -15,7 +15,7 @@ CH$LINK: CAS 526-55-6 CH$LINK: CHEBI CHEBI:17890 CH$LINK: KEGG C00955 CH$LINK: NIKKAJI J6.661C -CH$LINK: PUBCHEM SID:4206 +CH$LINK: PUBCHEM CID:10685 CH$LINK: INCHIKEY MBBOMCVGYCRMEA-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID2060173 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO001202.txt b/Keio_Univ/MSBNK-Keio_Univ-KO001202.txt index 2476d151f66..b37ccb4044f 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO001202.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO001202.txt @@ -15,7 +15,7 @@ CH$LINK: CAS 526-55-6 CH$LINK: CHEBI CHEBI:17890 CH$LINK: KEGG C00955 CH$LINK: NIKKAJI J6.661C -CH$LINK: PUBCHEM SID:4206 +CH$LINK: PUBCHEM CID:10685 CH$LINK: INCHIKEY MBBOMCVGYCRMEA-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID2060173 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO001203.txt b/Keio_Univ/MSBNK-Keio_Univ-KO001203.txt index 4f586657b5a..861b4f5faa8 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO001203.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO001203.txt @@ -15,7 +15,7 @@ CH$LINK: CAS 526-55-6 CH$LINK: CHEBI CHEBI:17890 CH$LINK: KEGG C00955 CH$LINK: NIKKAJI J6.661C -CH$LINK: PUBCHEM SID:4206 +CH$LINK: PUBCHEM CID:10685 CH$LINK: INCHIKEY MBBOMCVGYCRMEA-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID2060173 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO001204.txt b/Keio_Univ/MSBNK-Keio_Univ-KO001204.txt index bff98e46cf4..e695af36909 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO001204.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO001204.txt @@ -15,7 +15,7 @@ CH$LINK: CAS 526-55-6 CH$LINK: CHEBI CHEBI:17890 CH$LINK: KEGG C00955 CH$LINK: NIKKAJI J6.661C -CH$LINK: PUBCHEM SID:4206 +CH$LINK: PUBCHEM CID:10685 CH$LINK: INCHIKEY MBBOMCVGYCRMEA-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID2060173 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO001205.txt b/Keio_Univ/MSBNK-Keio_Univ-KO001205.txt index 4e068f06453..d938bbcb114 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO001205.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO001205.txt @@ -15,7 +15,7 @@ CH$LINK: CAS 526-55-6 CH$LINK: CHEBI CHEBI:17890 CH$LINK: KEGG C00955 CH$LINK: NIKKAJI J6.661C -CH$LINK: PUBCHEM SID:4206 +CH$LINK: PUBCHEM CID:10685 CH$LINK: INCHIKEY MBBOMCVGYCRMEA-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID2060173 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO001206.txt b/Keio_Univ/MSBNK-Keio_Univ-KO001206.txt index 009b50b7066..9b1eaa603f9 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO001206.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO001206.txt @@ -17,7 +17,7 @@ CH$LINK: CAS 771-51-7 CH$LINK: CHEBI CHEBI:17566 CH$LINK: KEGG C02938 CH$LINK: NIKKAJI J1.733G -CH$LINK: PUBCHEM SID:5857 +CH$LINK: PUBCHEM CID:351795 CH$LINK: INCHIKEY DMCPFOBLJMLSNX-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID5061118 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO001207.txt b/Keio_Univ/MSBNK-Keio_Univ-KO001207.txt index 04f7958dc43..7a73198be04 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO001207.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO001207.txt @@ -17,7 +17,7 @@ CH$LINK: CAS 771-51-7 CH$LINK: CHEBI CHEBI:17566 CH$LINK: KEGG C02938 CH$LINK: NIKKAJI J1.733G -CH$LINK: PUBCHEM SID:5857 +CH$LINK: PUBCHEM CID:351795 CH$LINK: INCHIKEY DMCPFOBLJMLSNX-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID5061118 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO001208.txt b/Keio_Univ/MSBNK-Keio_Univ-KO001208.txt index 8dd956c38cc..f7353105250 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO001208.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO001208.txt @@ -17,7 +17,7 @@ CH$LINK: CAS 771-51-7 CH$LINK: CHEBI CHEBI:17566 CH$LINK: KEGG C02938 CH$LINK: NIKKAJI J1.733G -CH$LINK: PUBCHEM SID:5857 +CH$LINK: PUBCHEM CID:351795 CH$LINK: INCHIKEY DMCPFOBLJMLSNX-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID5061118 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO001209.txt b/Keio_Univ/MSBNK-Keio_Univ-KO001209.txt index 6fdef483941..64784ed38e4 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO001209.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO001209.txt @@ -17,7 +17,7 @@ CH$LINK: CAS 771-51-7 CH$LINK: CHEBI CHEBI:17566 CH$LINK: KEGG C02938 CH$LINK: NIKKAJI J1.733G -CH$LINK: PUBCHEM SID:5857 +CH$LINK: PUBCHEM CID:351795 CH$LINK: INCHIKEY DMCPFOBLJMLSNX-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID5061118 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO001210.txt b/Keio_Univ/MSBNK-Keio_Univ-KO001210.txt index 53dbe7a58b5..6d4f59f053d 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO001210.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO001210.txt @@ -17,7 +17,7 @@ CH$LINK: CAS 771-51-7 CH$LINK: CHEBI CHEBI:17566 CH$LINK: KEGG C02938 CH$LINK: NIKKAJI J1.733G -CH$LINK: PUBCHEM SID:5857 +CH$LINK: PUBCHEM CID:351795 CH$LINK: INCHIKEY DMCPFOBLJMLSNX-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID5061118 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO001211.txt b/Keio_Univ/MSBNK-Keio_Univ-KO001211.txt index 5899cc37ebd..777e0fc5db4 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO001211.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO001211.txt @@ -14,7 +14,7 @@ CH$IUPAC: InChI=1S/C10H10O4/c1-14-9-4-2-7(6-8(9)11)3-5-10(12)13/h2-6,11H,1H3,(H, CH$LINK: CAS 537-73-5 CH$LINK: KEGG C10470 CH$LINK: NIKKAJI J6.365G -CH$LINK: PUBCHEM SID:12653 +CH$LINK: PUBCHEM CID:736186 CH$LINK: INCHIKEY QURCVMIEKCOAJU-HWKANZROSA-N AC$INSTRUMENT: API3000, Applied Biosystems AC$INSTRUMENT_TYPE: LC-ESI-QQ diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO001212.txt b/Keio_Univ/MSBNK-Keio_Univ-KO001212.txt index ca9b455372f..df48135ef08 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO001212.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO001212.txt @@ -14,7 +14,7 @@ CH$IUPAC: InChI=1S/C10H10O4/c1-14-9-4-2-7(6-8(9)11)3-5-10(12)13/h2-6,11H,1H3,(H, CH$LINK: CAS 537-73-5 CH$LINK: KEGG C10470 CH$LINK: NIKKAJI J6.365G -CH$LINK: PUBCHEM SID:12653 +CH$LINK: PUBCHEM CID:736186 CH$LINK: INCHIKEY QURCVMIEKCOAJU-HWKANZROSA-N AC$INSTRUMENT: API3000, Applied Biosystems AC$INSTRUMENT_TYPE: LC-ESI-QQ diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO001213.txt b/Keio_Univ/MSBNK-Keio_Univ-KO001213.txt index 5e18d9f6957..0d856745afd 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO001213.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO001213.txt @@ -14,7 +14,7 @@ CH$IUPAC: InChI=1S/C10H10O4/c1-14-9-4-2-7(6-8(9)11)3-5-10(12)13/h2-6,11H,1H3,(H, CH$LINK: CAS 537-73-5 CH$LINK: KEGG C10470 CH$LINK: NIKKAJI J6.365G -CH$LINK: PUBCHEM SID:12653 +CH$LINK: PUBCHEM CID:736186 CH$LINK: INCHIKEY QURCVMIEKCOAJU-HWKANZROSA-N AC$INSTRUMENT: API3000, Applied Biosystems AC$INSTRUMENT_TYPE: LC-ESI-QQ diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO001214.txt b/Keio_Univ/MSBNK-Keio_Univ-KO001214.txt index d0e9ebfce7b..5b112c6d23f 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO001214.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO001214.txt @@ -14,7 +14,7 @@ CH$IUPAC: InChI=1S/C10H10O4/c1-14-9-4-2-7(6-8(9)11)3-5-10(12)13/h2-6,11H,1H3,(H, CH$LINK: CAS 537-73-5 CH$LINK: KEGG C10470 CH$LINK: NIKKAJI J6.365G -CH$LINK: PUBCHEM SID:12653 +CH$LINK: PUBCHEM CID:736186 CH$LINK: INCHIKEY QURCVMIEKCOAJU-HWKANZROSA-N AC$INSTRUMENT: API3000, Applied Biosystems AC$INSTRUMENT_TYPE: LC-ESI-QQ diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO001215.txt b/Keio_Univ/MSBNK-Keio_Univ-KO001215.txt index b5a41accf16..b9da308aab7 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO001215.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO001215.txt @@ -14,7 +14,7 @@ CH$IUPAC: InChI=1S/C10H10O4/c1-14-9-4-2-7(6-8(9)11)3-5-10(12)13/h2-6,11H,1H3,(H, CH$LINK: CAS 537-73-5 CH$LINK: KEGG C10470 CH$LINK: NIKKAJI J6.365G -CH$LINK: PUBCHEM SID:12653 +CH$LINK: PUBCHEM CID:736186 CH$LINK: INCHIKEY QURCVMIEKCOAJU-HWKANZROSA-N AC$INSTRUMENT: API3000, Applied Biosystems AC$INSTRUMENT_TYPE: LC-ESI-QQ diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO001216.txt b/Keio_Univ/MSBNK-Keio_Univ-KO001216.txt index ee75400aebe..e7e9e501588 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO001216.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO001216.txt @@ -17,7 +17,7 @@ CH$LINK: CHEBI CHEBI:33070 CH$LINK: CHEMPDB 3IB CH$LINK: KEGG C11284 CH$LINK: NIKKAJI J2.525I -CH$LINK: PUBCHEM SID:13461 +CH$LINK: PUBCHEM CID:8617 CH$LINK: INCHIKEY JTEDVYBZBROSJT-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID8032623 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO001217.txt b/Keio_Univ/MSBNK-Keio_Univ-KO001217.txt index 21aab1a87a7..5086d1cfa4c 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO001217.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO001217.txt @@ -17,7 +17,7 @@ CH$LINK: CHEBI CHEBI:33070 CH$LINK: CHEMPDB 3IB CH$LINK: KEGG C11284 CH$LINK: NIKKAJI J2.525I -CH$LINK: PUBCHEM SID:13461 +CH$LINK: PUBCHEM CID:8617 CH$LINK: INCHIKEY JTEDVYBZBROSJT-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID8032623 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO001218.txt b/Keio_Univ/MSBNK-Keio_Univ-KO001218.txt index df99beda741..b3b676be72d 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO001218.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO001218.txt @@ -17,7 +17,7 @@ CH$LINK: CHEBI CHEBI:33070 CH$LINK: CHEMPDB 3IB CH$LINK: KEGG C11284 CH$LINK: NIKKAJI J2.525I -CH$LINK: PUBCHEM SID:13461 +CH$LINK: PUBCHEM CID:8617 CH$LINK: INCHIKEY JTEDVYBZBROSJT-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID8032623 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO001219.txt b/Keio_Univ/MSBNK-Keio_Univ-KO001219.txt index 5ca23315b14..2ebca1f7497 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO001219.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO001219.txt @@ -17,7 +17,7 @@ CH$LINK: CHEBI CHEBI:33070 CH$LINK: CHEMPDB 3IB CH$LINK: KEGG C11284 CH$LINK: NIKKAJI J2.525I -CH$LINK: PUBCHEM SID:13461 +CH$LINK: PUBCHEM CID:8617 CH$LINK: INCHIKEY JTEDVYBZBROSJT-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID8032623 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO001220.txt b/Keio_Univ/MSBNK-Keio_Univ-KO001220.txt index 47ba64ba9b6..28917680165 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO001220.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO001220.txt @@ -17,7 +17,7 @@ CH$LINK: CHEBI CHEBI:33070 CH$LINK: CHEMPDB 3IB CH$LINK: KEGG C11284 CH$LINK: NIKKAJI J2.525I -CH$LINK: PUBCHEM SID:13461 +CH$LINK: PUBCHEM CID:8617 CH$LINK: INCHIKEY JTEDVYBZBROSJT-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID8032623 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO001221.txt b/Keio_Univ/MSBNK-Keio_Univ-KO001221.txt index 34c7b4472f3..72d66fb387c 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO001221.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO001221.txt @@ -13,7 +13,7 @@ CH$IUPAC: InChI=1S/C10H10N2O/c11-10(13)5-7-6-12-9-4-2-1-3-8(7)9/h1-4,6,12H,5H2,( CH$LINK: CAS 879-37-8 CH$LINK: KEGG C02693 CH$LINK: NIKKAJI J128.124K -CH$LINK: PUBCHEM SID:5661 +CH$LINK: PUBCHEM CID:397 CH$LINK: INCHIKEY ZOAMBXDOGPRZLP-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID60236686 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO001222.txt b/Keio_Univ/MSBNK-Keio_Univ-KO001222.txt index c9a87d8eae2..9aff4b77f52 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO001222.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO001222.txt @@ -13,7 +13,7 @@ CH$IUPAC: InChI=1S/C10H10N2O/c11-10(13)5-7-6-12-9-4-2-1-3-8(7)9/h1-4,6,12H,5H2,( CH$LINK: CAS 879-37-8 CH$LINK: KEGG C02693 CH$LINK: NIKKAJI J128.124K -CH$LINK: PUBCHEM SID:5661 +CH$LINK: PUBCHEM CID:397 CH$LINK: INCHIKEY ZOAMBXDOGPRZLP-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID60236686 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO001223.txt b/Keio_Univ/MSBNK-Keio_Univ-KO001223.txt index ce830cd2bfd..7cda69868c7 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO001223.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO001223.txt @@ -13,7 +13,7 @@ CH$IUPAC: InChI=1S/C10H10N2O/c11-10(13)5-7-6-12-9-4-2-1-3-8(7)9/h1-4,6,12H,5H2,( CH$LINK: CAS 879-37-8 CH$LINK: KEGG C02693 CH$LINK: NIKKAJI J128.124K -CH$LINK: PUBCHEM SID:5661 +CH$LINK: PUBCHEM CID:397 CH$LINK: INCHIKEY ZOAMBXDOGPRZLP-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID60236686 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO001224.txt b/Keio_Univ/MSBNK-Keio_Univ-KO001224.txt index 4879ab4f03b..ae230e568ac 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO001224.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO001224.txt @@ -13,7 +13,7 @@ CH$IUPAC: InChI=1S/C10H10N2O/c11-10(13)5-7-6-12-9-4-2-1-3-8(7)9/h1-4,6,12H,5H2,( CH$LINK: CAS 879-37-8 CH$LINK: KEGG C02693 CH$LINK: NIKKAJI J128.124K -CH$LINK: PUBCHEM SID:5661 +CH$LINK: PUBCHEM CID:397 CH$LINK: INCHIKEY ZOAMBXDOGPRZLP-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID60236686 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO001225.txt b/Keio_Univ/MSBNK-Keio_Univ-KO001225.txt index 2456f791f3d..ab0b1766026 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO001225.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO001225.txt @@ -13,7 +13,7 @@ CH$IUPAC: InChI=1S/C10H10N2O/c11-10(13)5-7-6-12-9-4-2-1-3-8(7)9/h1-4,6,12H,5H2,( CH$LINK: CAS 879-37-8 CH$LINK: KEGG C02693 CH$LINK: NIKKAJI J128.124K -CH$LINK: PUBCHEM SID:5661 +CH$LINK: PUBCHEM CID:397 CH$LINK: INCHIKEY ZOAMBXDOGPRZLP-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID60236686 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO001226.txt b/Keio_Univ/MSBNK-Keio_Univ-KO001226.txt index 31384ee31a4..5bd524a4b1b 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO001226.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO001226.txt @@ -17,7 +17,7 @@ CH$LINK: CAS 87-51-4 CH$LINK: CHEBI CHEBI:16411 CH$LINK: KEGG C00954 CH$LINK: NIKKAJI J5.156J -CH$LINK: PUBCHEM SID:4205 +CH$LINK: PUBCHEM CID:802 CH$LINK: INCHIKEY SEOVTRFCIGRIMH-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID5020738 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO001227.txt b/Keio_Univ/MSBNK-Keio_Univ-KO001227.txt index 42091ea726f..ea27f7d51b1 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO001227.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO001227.txt @@ -17,7 +17,7 @@ CH$LINK: CAS 87-51-4 CH$LINK: CHEBI CHEBI:16411 CH$LINK: KEGG C00954 CH$LINK: NIKKAJI J5.156J -CH$LINK: PUBCHEM SID:4205 +CH$LINK: PUBCHEM CID:802 CH$LINK: INCHIKEY SEOVTRFCIGRIMH-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID5020738 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO001228.txt b/Keio_Univ/MSBNK-Keio_Univ-KO001228.txt index e7971351d99..a45d55d41df 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO001228.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO001228.txt @@ -17,7 +17,7 @@ CH$LINK: CAS 87-51-4 CH$LINK: CHEBI CHEBI:16411 CH$LINK: KEGG C00954 CH$LINK: NIKKAJI J5.156J -CH$LINK: PUBCHEM SID:4205 +CH$LINK: PUBCHEM CID:802 CH$LINK: INCHIKEY SEOVTRFCIGRIMH-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID5020738 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO001229.txt b/Keio_Univ/MSBNK-Keio_Univ-KO001229.txt index de99c49bad9..6972c14cdfb 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO001229.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO001229.txt @@ -17,7 +17,7 @@ CH$LINK: CAS 87-51-4 CH$LINK: CHEBI CHEBI:16411 CH$LINK: KEGG C00954 CH$LINK: NIKKAJI J5.156J -CH$LINK: PUBCHEM SID:4205 +CH$LINK: PUBCHEM CID:802 CH$LINK: INCHIKEY SEOVTRFCIGRIMH-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID5020738 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO001230.txt b/Keio_Univ/MSBNK-Keio_Univ-KO001230.txt index 35d0b2bd6d8..41646331539 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO001230.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO001230.txt @@ -17,7 +17,7 @@ CH$LINK: CAS 87-51-4 CH$LINK: CHEBI CHEBI:16411 CH$LINK: KEGG C00954 CH$LINK: NIKKAJI J5.156J -CH$LINK: PUBCHEM SID:4205 +CH$LINK: PUBCHEM CID:802 CH$LINK: INCHIKEY SEOVTRFCIGRIMH-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID5020738 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO001231.txt b/Keio_Univ/MSBNK-Keio_Univ-KO001231.txt index 5086c0694cc..ba913277f5b 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO001231.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO001231.txt @@ -17,7 +17,7 @@ CH$IUPAC: InChI=1S/C2H6O4S/c3-1-2-7(4,5)6/h3H,1-2H2,(H,4,5,6) CH$LINK: CAS 107-36-8 CH$LINK: KEGG C05123 CH$LINK: NIKKAJI J5.057A -CH$LINK: PUBCHEM SID:7545 +CH$LINK: PUBCHEM CID:7866 CH$LINK: INCHIKEY SUMDYPCJJOFFON-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID1041427 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO001232.txt b/Keio_Univ/MSBNK-Keio_Univ-KO001232.txt index d661fa993cf..f82aa579344 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO001232.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO001232.txt @@ -17,7 +17,7 @@ CH$IUPAC: InChI=1S/C2H6O4S/c3-1-2-7(4,5)6/h3H,1-2H2,(H,4,5,6) CH$LINK: CAS 107-36-8 CH$LINK: KEGG C05123 CH$LINK: NIKKAJI J5.057A -CH$LINK: PUBCHEM SID:7545 +CH$LINK: PUBCHEM CID:7866 CH$LINK: INCHIKEY SUMDYPCJJOFFON-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID1041427 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO001233.txt b/Keio_Univ/MSBNK-Keio_Univ-KO001233.txt index 7e5c0cf8c21..796eec8e756 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO001233.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO001233.txt @@ -17,7 +17,7 @@ CH$IUPAC: InChI=1S/C2H6O4S/c3-1-2-7(4,5)6/h3H,1-2H2,(H,4,5,6) CH$LINK: CAS 107-36-8 CH$LINK: KEGG C05123 CH$LINK: NIKKAJI J5.057A -CH$LINK: PUBCHEM SID:7545 +CH$LINK: PUBCHEM CID:7866 CH$LINK: INCHIKEY SUMDYPCJJOFFON-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID1041427 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO001234.txt b/Keio_Univ/MSBNK-Keio_Univ-KO001234.txt index fbfad8dfeec..d4fbfa60056 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO001234.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO001234.txt @@ -17,7 +17,7 @@ CH$IUPAC: InChI=1S/C2H6O4S/c3-1-2-7(4,5)6/h3H,1-2H2,(H,4,5,6) CH$LINK: CAS 107-36-8 CH$LINK: KEGG C05123 CH$LINK: NIKKAJI J5.057A -CH$LINK: PUBCHEM SID:7545 +CH$LINK: PUBCHEM CID:7866 CH$LINK: INCHIKEY SUMDYPCJJOFFON-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID1041427 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO001235.txt b/Keio_Univ/MSBNK-Keio_Univ-KO001235.txt index 8f41f51a648..2836ecf6573 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO001235.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO001235.txt @@ -17,7 +17,7 @@ CH$IUPAC: InChI=1S/C2H6O4S/c3-1-2-7(4,5)6/h3H,1-2H2,(H,4,5,6) CH$LINK: CAS 107-36-8 CH$LINK: KEGG C05123 CH$LINK: NIKKAJI J5.057A -CH$LINK: PUBCHEM SID:7545 +CH$LINK: PUBCHEM CID:7866 CH$LINK: INCHIKEY SUMDYPCJJOFFON-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID1041427 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO001241.txt b/Keio_Univ/MSBNK-Keio_Univ-KO001241.txt index 4cde586bb30..ae358226ab0 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO001241.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO001241.txt @@ -16,7 +16,7 @@ CH$LINK: CHEBI CHEBI:27847 CH$LINK: CHEMPDB IYR CH$LINK: KEGG C02515 CH$LINK: NIKKAJI J4.880A -CH$LINK: PUBCHEM SID:5525 +CH$LINK: PUBCHEM CID:439744 CH$LINK: INCHIKEY UQTZMGFTRHFAAM-ZETCQYMHSA-N CH$LINK: COMPTOX DTXSID1075353 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO001242.txt b/Keio_Univ/MSBNK-Keio_Univ-KO001242.txt index e312bdb71e4..0161497103b 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO001242.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO001242.txt @@ -16,7 +16,7 @@ CH$LINK: CHEBI CHEBI:27847 CH$LINK: CHEMPDB IYR CH$LINK: KEGG C02515 CH$LINK: NIKKAJI J4.880A -CH$LINK: PUBCHEM SID:5525 +CH$LINK: PUBCHEM CID:439744 CH$LINK: INCHIKEY UQTZMGFTRHFAAM-ZETCQYMHSA-N CH$LINK: COMPTOX DTXSID1075353 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO001243.txt b/Keio_Univ/MSBNK-Keio_Univ-KO001243.txt index bf2714b576e..bdd0f7b8ea1 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO001243.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO001243.txt @@ -16,7 +16,7 @@ CH$LINK: CHEBI CHEBI:27847 CH$LINK: CHEMPDB IYR CH$LINK: KEGG C02515 CH$LINK: NIKKAJI J4.880A -CH$LINK: PUBCHEM SID:5525 +CH$LINK: PUBCHEM CID:439744 CH$LINK: INCHIKEY UQTZMGFTRHFAAM-ZETCQYMHSA-N CH$LINK: COMPTOX DTXSID1075353 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO001244.txt b/Keio_Univ/MSBNK-Keio_Univ-KO001244.txt index 6e899999a4f..1a293a51d8e 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO001244.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO001244.txt @@ -16,7 +16,7 @@ CH$LINK: CHEBI CHEBI:27847 CH$LINK: CHEMPDB IYR CH$LINK: KEGG C02515 CH$LINK: NIKKAJI J4.880A -CH$LINK: PUBCHEM SID:5525 +CH$LINK: PUBCHEM CID:439744 CH$LINK: INCHIKEY UQTZMGFTRHFAAM-ZETCQYMHSA-N CH$LINK: COMPTOX DTXSID1075353 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO001245.txt b/Keio_Univ/MSBNK-Keio_Univ-KO001245.txt index 33e67a05b13..847e15742d4 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO001245.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO001245.txt @@ -16,7 +16,7 @@ CH$LINK: CHEBI CHEBI:27847 CH$LINK: CHEMPDB IYR CH$LINK: KEGG C02515 CH$LINK: NIKKAJI J4.880A -CH$LINK: PUBCHEM SID:5525 +CH$LINK: PUBCHEM CID:439744 CH$LINK: INCHIKEY UQTZMGFTRHFAAM-ZETCQYMHSA-N CH$LINK: COMPTOX DTXSID1075353 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO001251.txt b/Keio_Univ/MSBNK-Keio_Univ-KO001251.txt index 922b74daca9..c144b9ede87 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO001251.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO001251.txt @@ -16,7 +16,7 @@ CH$LINK: CAS 54-85-3 CH$LINK: CHEBI CHEBI:6030 CH$LINK: KEGG C07054 CH$LINK: NIKKAJI J1.371D -CH$LINK: PUBCHEM SID:9266 +CH$LINK: PUBCHEM CID:3767 CH$LINK: INCHIKEY QRXWMOHMRWLFEY-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID8020755 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO001252.txt b/Keio_Univ/MSBNK-Keio_Univ-KO001252.txt index 40495c074da..06b35102937 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO001252.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO001252.txt @@ -16,7 +16,7 @@ CH$LINK: CAS 54-85-3 CH$LINK: CHEBI CHEBI:6030 CH$LINK: KEGG C07054 CH$LINK: NIKKAJI J1.371D -CH$LINK: PUBCHEM SID:9266 +CH$LINK: PUBCHEM CID:3767 CH$LINK: INCHIKEY QRXWMOHMRWLFEY-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID8020755 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO001253.txt b/Keio_Univ/MSBNK-Keio_Univ-KO001253.txt index 4098bca302e..8f5c05fea7b 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO001253.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO001253.txt @@ -16,7 +16,7 @@ CH$LINK: CAS 54-85-3 CH$LINK: CHEBI CHEBI:6030 CH$LINK: KEGG C07054 CH$LINK: NIKKAJI J1.371D -CH$LINK: PUBCHEM SID:9266 +CH$LINK: PUBCHEM CID:3767 CH$LINK: INCHIKEY QRXWMOHMRWLFEY-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID8020755 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO001254.txt b/Keio_Univ/MSBNK-Keio_Univ-KO001254.txt index 7071b0faddc..13a7cc70be8 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO001254.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO001254.txt @@ -16,7 +16,7 @@ CH$LINK: CAS 54-85-3 CH$LINK: CHEBI CHEBI:6030 CH$LINK: KEGG C07054 CH$LINK: NIKKAJI J1.371D -CH$LINK: PUBCHEM SID:9266 +CH$LINK: PUBCHEM CID:3767 CH$LINK: INCHIKEY QRXWMOHMRWLFEY-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID8020755 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO001255.txt b/Keio_Univ/MSBNK-Keio_Univ-KO001255.txt index 129a66b229a..739e3d83c17 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO001255.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO001255.txt @@ -16,7 +16,7 @@ CH$LINK: CAS 54-85-3 CH$LINK: CHEBI CHEBI:6030 CH$LINK: KEGG C07054 CH$LINK: NIKKAJI J1.371D -CH$LINK: PUBCHEM SID:9266 +CH$LINK: PUBCHEM CID:3767 CH$LINK: INCHIKEY QRXWMOHMRWLFEY-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID8020755 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO001256.txt b/Keio_Univ/MSBNK-Keio_Univ-KO001256.txt index f6106001767..70e8f71a98d 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO001256.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO001256.txt @@ -15,7 +15,7 @@ CH$LINK: CAS 3184-35-8 CH$LINK: CHEBI CHEBI:15753 CH$LINK: KEGG C00322 CH$LINK: NIKKAJI J39.063A -CH$LINK: PUBCHEM SID:3616 +CH$LINK: PUBCHEM CID:71 CH$LINK: INCHIKEY FGSBNBBHOZHUBO-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID20185702 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO001257.txt b/Keio_Univ/MSBNK-Keio_Univ-KO001257.txt index 34ff6abf66f..ec211fad79f 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO001257.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO001257.txt @@ -15,7 +15,7 @@ CH$LINK: CAS 3184-35-8 CH$LINK: CHEBI CHEBI:15753 CH$LINK: KEGG C00322 CH$LINK: NIKKAJI J39.063A -CH$LINK: PUBCHEM SID:3616 +CH$LINK: PUBCHEM CID:71 CH$LINK: INCHIKEY FGSBNBBHOZHUBO-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID20185702 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO001258.txt b/Keio_Univ/MSBNK-Keio_Univ-KO001258.txt index a54ecbca8d2..bbac693fdea 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO001258.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO001258.txt @@ -15,7 +15,7 @@ CH$LINK: CAS 3184-35-8 CH$LINK: CHEBI CHEBI:15753 CH$LINK: KEGG C00322 CH$LINK: NIKKAJI J39.063A -CH$LINK: PUBCHEM SID:3616 +CH$LINK: PUBCHEM CID:71 CH$LINK: INCHIKEY FGSBNBBHOZHUBO-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID20185702 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO001259.txt b/Keio_Univ/MSBNK-Keio_Univ-KO001259.txt index 0f42f6e6993..9432195505a 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO001259.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO001259.txt @@ -15,7 +15,7 @@ CH$LINK: CAS 3184-35-8 CH$LINK: CHEBI CHEBI:15753 CH$LINK: KEGG C00322 CH$LINK: NIKKAJI J39.063A -CH$LINK: PUBCHEM SID:3616 +CH$LINK: PUBCHEM CID:71 CH$LINK: INCHIKEY FGSBNBBHOZHUBO-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID20185702 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO001260.txt b/Keio_Univ/MSBNK-Keio_Univ-KO001260.txt index a934cd16382..ce52a7c0ce3 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO001260.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO001260.txt @@ -15,7 +15,7 @@ CH$LINK: CAS 3184-35-8 CH$LINK: CHEBI CHEBI:15753 CH$LINK: KEGG C00322 CH$LINK: NIKKAJI J39.063A -CH$LINK: PUBCHEM SID:3616 +CH$LINK: PUBCHEM CID:71 CH$LINK: INCHIKEY FGSBNBBHOZHUBO-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID20185702 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO001261.txt b/Keio_Univ/MSBNK-Keio_Univ-KO001261.txt index 4b6498287d4..d239b10948c 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO001261.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO001261.txt @@ -19,7 +19,7 @@ CH$LINK: CHEBI CHEBI:15603 CH$LINK: CHEMPDB LEU CH$LINK: KEGG C00123 CH$LINK: NIKKAJI J1.167C -CH$LINK: PUBCHEM SID:3423 +CH$LINK: PUBCHEM CID:6106 CH$LINK: INCHIKEY ROHFNLRQFUQHCH-YFKPBYRVSA-N CH$LINK: COMPTOX DTXSID9023203 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO001262.txt b/Keio_Univ/MSBNK-Keio_Univ-KO001262.txt index 017390a778b..036d6887b90 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO001262.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO001262.txt @@ -19,7 +19,7 @@ CH$LINK: CHEBI CHEBI:15603 CH$LINK: CHEMPDB LEU CH$LINK: KEGG C00123 CH$LINK: NIKKAJI J1.167C -CH$LINK: PUBCHEM SID:3423 +CH$LINK: PUBCHEM CID:6106 CH$LINK: INCHIKEY ROHFNLRQFUQHCH-YFKPBYRVSA-N CH$LINK: COMPTOX DTXSID9023203 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO001263.txt b/Keio_Univ/MSBNK-Keio_Univ-KO001263.txt index 3c1c35501fe..6b1eacb698c 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO001263.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO001263.txt @@ -19,7 +19,7 @@ CH$LINK: CHEBI CHEBI:15603 CH$LINK: CHEMPDB LEU CH$LINK: KEGG C00123 CH$LINK: NIKKAJI J1.167C -CH$LINK: PUBCHEM SID:3423 +CH$LINK: PUBCHEM CID:6106 CH$LINK: INCHIKEY ROHFNLRQFUQHCH-YFKPBYRVSA-N CH$LINK: COMPTOX DTXSID9023203 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO001264.txt b/Keio_Univ/MSBNK-Keio_Univ-KO001264.txt index 79bc0dd6d45..fced0f119d6 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO001264.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO001264.txt @@ -19,7 +19,7 @@ CH$LINK: CHEBI CHEBI:15603 CH$LINK: CHEMPDB LEU CH$LINK: KEGG C00123 CH$LINK: NIKKAJI J1.167C -CH$LINK: PUBCHEM SID:3423 +CH$LINK: PUBCHEM CID:6106 CH$LINK: INCHIKEY ROHFNLRQFUQHCH-YFKPBYRVSA-N CH$LINK: COMPTOX DTXSID9023203 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO001265.txt b/Keio_Univ/MSBNK-Keio_Univ-KO001265.txt index 3ef42cd8443..4b6e2c1c784 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO001265.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO001265.txt @@ -18,7 +18,7 @@ CH$LINK: CAS 56-87-1 CH$LINK: CHEBI CHEBI:18019 CH$LINK: KEGG C00047 CH$LINK: NIKKAJI J9.176F -CH$LINK: PUBCHEM SID:3349 +CH$LINK: PUBCHEM CID:5962 CH$LINK: INCHIKEY KDXKERNSBIXSRK-YFKPBYRVSA-N CH$LINK: COMPTOX DTXSID6023232 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO001266.txt b/Keio_Univ/MSBNK-Keio_Univ-KO001266.txt index 834c05c22c6..e5a981da951 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO001266.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO001266.txt @@ -18,7 +18,7 @@ CH$LINK: CAS 56-87-1 CH$LINK: CHEBI CHEBI:18019 CH$LINK: KEGG C00047 CH$LINK: NIKKAJI J9.176F -CH$LINK: PUBCHEM SID:3349 +CH$LINK: PUBCHEM CID:5962 CH$LINK: INCHIKEY KDXKERNSBIXSRK-YFKPBYRVSA-N CH$LINK: COMPTOX DTXSID6023232 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO001267.txt b/Keio_Univ/MSBNK-Keio_Univ-KO001267.txt index 63dd4a5a83f..c909677e81c 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO001267.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO001267.txt @@ -18,7 +18,7 @@ CH$LINK: CAS 56-87-1 CH$LINK: CHEBI CHEBI:18019 CH$LINK: KEGG C00047 CH$LINK: NIKKAJI J9.176F -CH$LINK: PUBCHEM SID:3349 +CH$LINK: PUBCHEM CID:5962 CH$LINK: INCHIKEY KDXKERNSBIXSRK-YFKPBYRVSA-N CH$LINK: COMPTOX DTXSID6023232 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO001268.txt b/Keio_Univ/MSBNK-Keio_Univ-KO001268.txt index 12fad4ce96a..e0f69a8e1e2 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO001268.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO001268.txt @@ -18,7 +18,7 @@ CH$LINK: CAS 56-87-1 CH$LINK: CHEBI CHEBI:18019 CH$LINK: KEGG C00047 CH$LINK: NIKKAJI J9.176F -CH$LINK: PUBCHEM SID:3349 +CH$LINK: PUBCHEM CID:5962 CH$LINK: INCHIKEY KDXKERNSBIXSRK-YFKPBYRVSA-N CH$LINK: COMPTOX DTXSID6023232 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO001269.txt b/Keio_Univ/MSBNK-Keio_Univ-KO001269.txt index ddaf4170af2..ef2449ed1cb 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO001269.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO001269.txt @@ -18,7 +18,7 @@ CH$LINK: CAS 56-87-1 CH$LINK: CHEBI CHEBI:18019 CH$LINK: KEGG C00047 CH$LINK: NIKKAJI J9.176F -CH$LINK: PUBCHEM SID:3349 +CH$LINK: PUBCHEM CID:5962 CH$LINK: INCHIKEY KDXKERNSBIXSRK-YFKPBYRVSA-N CH$LINK: COMPTOX DTXSID6023232 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO001270.txt b/Keio_Univ/MSBNK-Keio_Univ-KO001270.txt index ad1548ab3cf..d83ed1f61fb 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO001270.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO001270.txt @@ -18,7 +18,7 @@ CH$LINK: CAS 79-33-4 CH$LINK: CHEBI CHEBI:422 CH$LINK: KEGG C00186 CH$LINK: NIKKAJI J9.134K -CH$LINK: PUBCHEM SID:3486 +CH$LINK: PUBCHEM CID:107689 CH$LINK: INCHIKEY JVTAAEKCZFNVCJ-REOHCLBHSA-N CH$LINK: COMPTOX DTXSID6034689 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO001271.txt b/Keio_Univ/MSBNK-Keio_Univ-KO001271.txt index 879477f4c3b..fbccbdcb8b2 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO001271.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO001271.txt @@ -18,7 +18,7 @@ CH$LINK: CAS 79-33-4 CH$LINK: CHEBI CHEBI:422 CH$LINK: KEGG C00186 CH$LINK: NIKKAJI J9.134K -CH$LINK: PUBCHEM SID:3486 +CH$LINK: PUBCHEM CID:107689 CH$LINK: INCHIKEY JVTAAEKCZFNVCJ-REOHCLBHSA-N CH$LINK: COMPTOX DTXSID6034689 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO001272.txt b/Keio_Univ/MSBNK-Keio_Univ-KO001272.txt index 14055edc250..3bd48915106 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO001272.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO001272.txt @@ -18,7 +18,7 @@ CH$LINK: CAS 79-33-4 CH$LINK: CHEBI CHEBI:422 CH$LINK: KEGG C00186 CH$LINK: NIKKAJI J9.134K -CH$LINK: PUBCHEM SID:3486 +CH$LINK: PUBCHEM CID:107689 CH$LINK: INCHIKEY JVTAAEKCZFNVCJ-REOHCLBHSA-N CH$LINK: COMPTOX DTXSID6034689 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO001273.txt b/Keio_Univ/MSBNK-Keio_Univ-KO001273.txt index f9d422687c9..829c68fbf04 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO001273.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO001273.txt @@ -18,7 +18,7 @@ CH$LINK: CAS 79-33-4 CH$LINK: CHEBI CHEBI:422 CH$LINK: KEGG C00186 CH$LINK: NIKKAJI J9.134K -CH$LINK: PUBCHEM SID:3486 +CH$LINK: PUBCHEM CID:107689 CH$LINK: INCHIKEY JVTAAEKCZFNVCJ-REOHCLBHSA-N CH$LINK: COMPTOX DTXSID6034689 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO001274.txt b/Keio_Univ/MSBNK-Keio_Univ-KO001274.txt index 9bd027a279b..9314f29ad4e 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO001274.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO001274.txt @@ -18,7 +18,7 @@ CH$LINK: CAS 79-33-4 CH$LINK: CHEBI CHEBI:422 CH$LINK: KEGG C00186 CH$LINK: NIKKAJI J9.134K -CH$LINK: PUBCHEM SID:3486 +CH$LINK: PUBCHEM CID:107689 CH$LINK: INCHIKEY JVTAAEKCZFNVCJ-REOHCLBHSA-N CH$LINK: COMPTOX DTXSID6034689 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO001280.txt b/Keio_Univ/MSBNK-Keio_Univ-KO001280.txt index d50c493a19d..5874dad4b74 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO001280.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO001280.txt @@ -13,7 +13,7 @@ CH$SMILES: CC(C)CC(N)C(=O)NC(CC(C)C)C(=O)NC(C(O)=O)Cc(c1)ccc(O)c1 CH$IUPAC: InChI=1S/C21H33N3O5/c1-12(2)9-16(22)19(26)23-17(10-13(3)4)20(27)24-18(21(28)29)11-14-5-7-15(25)8-6-14/h5-8,12-13,16-18,25H,9-11,22H2,1-4H3,(H,23,26)(H,24,27)(H,28,29)/t16-,17-,18-/m0/s1 CH$LINK: CAS 20368-24-5 CH$LINK: KEGG C11331 -CH$LINK: PUBCHEM SID:13506 +CH$LINK: PUBCHEM CID:88513 CH$LINK: INCHIKEY UCNNZELZXFXXJQ-BZSNNMDCSA-N CH$LINK: COMPTOX DTXSID30942525 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO001281.txt b/Keio_Univ/MSBNK-Keio_Univ-KO001281.txt index db84d6bba2c..62a48d4211f 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO001281.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO001281.txt @@ -13,7 +13,7 @@ CH$SMILES: CC(C)CC(N)C(=O)NC(CC(C)C)C(=O)NC(C(O)=O)Cc(c1)ccc(O)c1 CH$IUPAC: InChI=1S/C21H33N3O5/c1-12(2)9-16(22)19(26)23-17(10-13(3)4)20(27)24-18(21(28)29)11-14-5-7-15(25)8-6-14/h5-8,12-13,16-18,25H,9-11,22H2,1-4H3,(H,23,26)(H,24,27)(H,28,29)/t16-,17-,18-/m0/s1 CH$LINK: CAS 20368-24-5 CH$LINK: KEGG C11331 -CH$LINK: PUBCHEM SID:13506 +CH$LINK: PUBCHEM CID:88513 CH$LINK: INCHIKEY UCNNZELZXFXXJQ-BZSNNMDCSA-N CH$LINK: COMPTOX DTXSID30942525 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO001282.txt b/Keio_Univ/MSBNK-Keio_Univ-KO001282.txt index 72385ac2e68..9b4b4d869e1 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO001282.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO001282.txt @@ -13,7 +13,7 @@ CH$SMILES: CC(C)CC(N)C(=O)NC(CC(C)C)C(=O)NC(C(O)=O)Cc(c1)ccc(O)c1 CH$IUPAC: InChI=1S/C21H33N3O5/c1-12(2)9-16(22)19(26)23-17(10-13(3)4)20(27)24-18(21(28)29)11-14-5-7-15(25)8-6-14/h5-8,12-13,16-18,25H,9-11,22H2,1-4H3,(H,23,26)(H,24,27)(H,28,29)/t16-,17-,18-/m0/s1 CH$LINK: CAS 20368-24-5 CH$LINK: KEGG C11331 -CH$LINK: PUBCHEM SID:13506 +CH$LINK: PUBCHEM CID:88513 CH$LINK: INCHIKEY UCNNZELZXFXXJQ-BZSNNMDCSA-N CH$LINK: COMPTOX DTXSID30942525 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO001283.txt b/Keio_Univ/MSBNK-Keio_Univ-KO001283.txt index da1e62b3996..b2011260d54 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO001283.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO001283.txt @@ -13,7 +13,7 @@ CH$SMILES: CC(C)CC(N)C(=O)NC(CC(C)C)C(=O)NC(C(O)=O)Cc(c1)ccc(O)c1 CH$IUPAC: InChI=1S/C21H33N3O5/c1-12(2)9-16(22)19(26)23-17(10-13(3)4)20(27)24-18(21(28)29)11-14-5-7-15(25)8-6-14/h5-8,12-13,16-18,25H,9-11,22H2,1-4H3,(H,23,26)(H,24,27)(H,28,29)/t16-,17-,18-/m0/s1 CH$LINK: CAS 20368-24-5 CH$LINK: KEGG C11331 -CH$LINK: PUBCHEM SID:13506 +CH$LINK: PUBCHEM CID:88513 CH$LINK: INCHIKEY UCNNZELZXFXXJQ-BZSNNMDCSA-N CH$LINK: COMPTOX DTXSID30942525 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO001284.txt b/Keio_Univ/MSBNK-Keio_Univ-KO001284.txt index 94f1d7d8ecc..db4362f43ab 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO001284.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO001284.txt @@ -13,7 +13,7 @@ CH$SMILES: CC(C)CC(N)C(=O)NC(CC(C)C)C(=O)NC(C(O)=O)Cc(c1)ccc(O)c1 CH$IUPAC: InChI=1S/C21H33N3O5/c1-12(2)9-16(22)19(26)23-17(10-13(3)4)20(27)24-18(21(28)29)11-14-5-7-15(25)8-6-14/h5-8,12-13,16-18,25H,9-11,22H2,1-4H3,(H,23,26)(H,24,27)(H,28,29)/t16-,17-,18-/m0/s1 CH$LINK: CAS 20368-24-5 CH$LINK: KEGG C11331 -CH$LINK: PUBCHEM SID:13506 +CH$LINK: PUBCHEM CID:88513 CH$LINK: INCHIKEY UCNNZELZXFXXJQ-BZSNNMDCSA-N CH$LINK: COMPTOX DTXSID30942525 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO001285.txt b/Keio_Univ/MSBNK-Keio_Univ-KO001285.txt index b38d38de89a..d99b2978894 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO001285.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO001285.txt @@ -19,7 +19,7 @@ CH$LINK: CHEBI CHEBI:30805 CH$LINK: CHEMPDB DAO CH$LINK: KEGG C02679 CH$LINK: NIKKAJI J2.548H -CH$LINK: PUBCHEM SID:5649 +CH$LINK: PUBCHEM CID:3893 CH$LINK: INCHIKEY POULHZVOKOAJMA-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID5021590 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO001286.txt b/Keio_Univ/MSBNK-Keio_Univ-KO001286.txt index e6b0f9506bb..19ac2dd862d 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO001286.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO001286.txt @@ -19,7 +19,7 @@ CH$LINK: CHEBI CHEBI:30805 CH$LINK: CHEMPDB DAO CH$LINK: KEGG C02679 CH$LINK: NIKKAJI J2.548H -CH$LINK: PUBCHEM SID:5649 +CH$LINK: PUBCHEM CID:3893 CH$LINK: INCHIKEY POULHZVOKOAJMA-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID5021590 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO001287.txt b/Keio_Univ/MSBNK-Keio_Univ-KO001287.txt index 1679d813a4d..9529b97c54d 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO001287.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO001287.txt @@ -19,7 +19,7 @@ CH$LINK: CHEBI CHEBI:30805 CH$LINK: CHEMPDB DAO CH$LINK: KEGG C02679 CH$LINK: NIKKAJI J2.548H -CH$LINK: PUBCHEM SID:5649 +CH$LINK: PUBCHEM CID:3893 CH$LINK: INCHIKEY POULHZVOKOAJMA-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID5021590 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO001288.txt b/Keio_Univ/MSBNK-Keio_Univ-KO001288.txt index 8b03a123459..e1e694a27a6 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO001288.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO001288.txt @@ -19,7 +19,7 @@ CH$LINK: CHEBI CHEBI:30805 CH$LINK: CHEMPDB DAO CH$LINK: KEGG C02679 CH$LINK: NIKKAJI J2.548H -CH$LINK: PUBCHEM SID:5649 +CH$LINK: PUBCHEM CID:3893 CH$LINK: INCHIKEY POULHZVOKOAJMA-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID5021590 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO001289.txt b/Keio_Univ/MSBNK-Keio_Univ-KO001289.txt index c7b0087875b..61d29485a54 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO001289.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO001289.txt @@ -19,7 +19,7 @@ CH$LINK: CHEBI CHEBI:30805 CH$LINK: CHEMPDB DAO CH$LINK: KEGG C02679 CH$LINK: NIKKAJI J2.548H -CH$LINK: PUBCHEM SID:5649 +CH$LINK: PUBCHEM CID:3893 CH$LINK: INCHIKEY POULHZVOKOAJMA-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID5021590 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO001290.txt b/Keio_Univ/MSBNK-Keio_Univ-KO001290.txt index 788def96b0f..22351364ca6 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO001290.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO001290.txt @@ -15,7 +15,7 @@ CH$LINK: CAS 25138-66-3 CH$LINK: CHEBI CHEBI:15694 CH$LINK: KEGG C03451 CH$LINK: NIKKAJI J410.799C -CH$LINK: PUBCHEM SID:6272 +CH$LINK: PUBCHEM CID:440018 CH$LINK: INCHIKEY VDYDCVUWILIYQF-CSMHCCOUSA-N AC$INSTRUMENT: API3000, Applied Biosystems AC$INSTRUMENT_TYPE: LC-ESI-QQ diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO001291.txt b/Keio_Univ/MSBNK-Keio_Univ-KO001291.txt index e50e782b52e..a71f840b8c1 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO001291.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO001291.txt @@ -15,7 +15,7 @@ CH$LINK: CAS 25138-66-3 CH$LINK: CHEBI CHEBI:15694 CH$LINK: KEGG C03451 CH$LINK: NIKKAJI J410.799C -CH$LINK: PUBCHEM SID:6272 +CH$LINK: PUBCHEM CID:440018 CH$LINK: INCHIKEY VDYDCVUWILIYQF-CSMHCCOUSA-N AC$INSTRUMENT: API3000, Applied Biosystems AC$INSTRUMENT_TYPE: LC-ESI-QQ diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO001292.txt b/Keio_Univ/MSBNK-Keio_Univ-KO001292.txt index 4518b776035..c15040219e0 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO001292.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO001292.txt @@ -15,7 +15,7 @@ CH$LINK: CAS 25138-66-3 CH$LINK: CHEBI CHEBI:15694 CH$LINK: KEGG C03451 CH$LINK: NIKKAJI J410.799C -CH$LINK: PUBCHEM SID:6272 +CH$LINK: PUBCHEM CID:440018 CH$LINK: INCHIKEY VDYDCVUWILIYQF-CSMHCCOUSA-N AC$INSTRUMENT: API3000, Applied Biosystems AC$INSTRUMENT_TYPE: LC-ESI-QQ diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO001293.txt b/Keio_Univ/MSBNK-Keio_Univ-KO001293.txt index fbf02a2e929..b71e686dd61 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO001293.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO001293.txt @@ -15,7 +15,7 @@ CH$LINK: CAS 25138-66-3 CH$LINK: CHEBI CHEBI:15694 CH$LINK: KEGG C03451 CH$LINK: NIKKAJI J410.799C -CH$LINK: PUBCHEM SID:6272 +CH$LINK: PUBCHEM CID:440018 CH$LINK: INCHIKEY VDYDCVUWILIYQF-CSMHCCOUSA-N AC$INSTRUMENT: API3000, Applied Biosystems AC$INSTRUMENT_TYPE: LC-ESI-QQ diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO001294.txt b/Keio_Univ/MSBNK-Keio_Univ-KO001294.txt index 27cbad14779..83f73780a52 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO001294.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO001294.txt @@ -15,7 +15,7 @@ CH$LINK: CAS 25138-66-3 CH$LINK: CHEBI CHEBI:15694 CH$LINK: KEGG C03451 CH$LINK: NIKKAJI J410.799C -CH$LINK: PUBCHEM SID:6272 +CH$LINK: PUBCHEM CID:440018 CH$LINK: INCHIKEY VDYDCVUWILIYQF-CSMHCCOUSA-N AC$INSTRUMENT: API3000, Applied Biosystems AC$INSTRUMENT_TYPE: LC-ESI-QQ diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO001295.txt b/Keio_Univ/MSBNK-Keio_Univ-KO001295.txt index 36fcc3ca61d..11e468f8f3d 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO001295.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO001295.txt @@ -19,7 +19,7 @@ CH$LINK: CAS 60-33-3 CH$LINK: CHEBI CHEBI:30245 CH$LINK: KEGG C01595 CH$LINK: NIKKAJI J4.801A -CH$LINK: PUBCHEM SID:4750 +CH$LINK: PUBCHEM CID:5280450 CH$LINK: INCHIKEY OYHQOLUKZRVURQ-HZJYTTRNSA-N CH$LINK: COMPTOX DTXSID2025505 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO001296.txt b/Keio_Univ/MSBNK-Keio_Univ-KO001296.txt index a8f480c05ae..ab3ed037825 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO001296.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO001296.txt @@ -19,7 +19,7 @@ CH$LINK: CAS 60-33-3 CH$LINK: CHEBI CHEBI:30245 CH$LINK: KEGG C01595 CH$LINK: NIKKAJI J4.801A -CH$LINK: PUBCHEM SID:4750 +CH$LINK: PUBCHEM CID:5280450 CH$LINK: INCHIKEY OYHQOLUKZRVURQ-HZJYTTRNSA-N CH$LINK: COMPTOX DTXSID2025505 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO001297.txt b/Keio_Univ/MSBNK-Keio_Univ-KO001297.txt index f37d025329f..593c84891d8 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO001297.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO001297.txt @@ -19,7 +19,7 @@ CH$LINK: CAS 60-33-3 CH$LINK: CHEBI CHEBI:30245 CH$LINK: KEGG C01595 CH$LINK: NIKKAJI J4.801A -CH$LINK: PUBCHEM SID:4750 +CH$LINK: PUBCHEM CID:5280450 CH$LINK: INCHIKEY OYHQOLUKZRVURQ-HZJYTTRNSA-N CH$LINK: COMPTOX DTXSID2025505 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO001298.txt b/Keio_Univ/MSBNK-Keio_Univ-KO001298.txt index b45c20be3a1..decbbd40d2e 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO001298.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO001298.txt @@ -19,7 +19,7 @@ CH$LINK: CAS 60-33-3 CH$LINK: CHEBI CHEBI:30245 CH$LINK: KEGG C01595 CH$LINK: NIKKAJI J4.801A -CH$LINK: PUBCHEM SID:4750 +CH$LINK: PUBCHEM CID:5280450 CH$LINK: INCHIKEY OYHQOLUKZRVURQ-HZJYTTRNSA-N CH$LINK: COMPTOX DTXSID2025505 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO001299.txt b/Keio_Univ/MSBNK-Keio_Univ-KO001299.txt index 4356597b609..4cc0c2b0544 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO001299.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO001299.txt @@ -19,7 +19,7 @@ CH$LINK: CAS 60-33-3 CH$LINK: CHEBI CHEBI:30245 CH$LINK: KEGG C01595 CH$LINK: NIKKAJI J4.801A -CH$LINK: PUBCHEM SID:4750 +CH$LINK: PUBCHEM CID:5280450 CH$LINK: INCHIKEY OYHQOLUKZRVURQ-HZJYTTRNSA-N CH$LINK: COMPTOX DTXSID2025505 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO001300.txt b/Keio_Univ/MSBNK-Keio_Univ-KO001300.txt index 5c23f8c0a0c..4358edb71d2 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO001300.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO001300.txt @@ -15,7 +15,7 @@ CH$LINK: CAS 22255-40-9 CH$LINK: CHEBI CHEBI:30632 CH$LINK: KEGG C01512 CH$LINK: NIKKAJI J15.893C -CH$LINK: PUBCHEM SID:4678 +CH$LINK: PUBCHEM CID:89640 CH$LINK: INCHIKEY JNNGEAWILNVFFD-CDJYTOATSA-N CH$LINK: COMPTOX DTXSID80944913 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO001301.txt b/Keio_Univ/MSBNK-Keio_Univ-KO001301.txt index b12cac68514..1f7f32ed63e 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO001301.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO001301.txt @@ -15,7 +15,7 @@ CH$LINK: CAS 22255-40-9 CH$LINK: CHEBI CHEBI:30632 CH$LINK: KEGG C01512 CH$LINK: NIKKAJI J15.893C -CH$LINK: PUBCHEM SID:4678 +CH$LINK: PUBCHEM CID:89640 CH$LINK: INCHIKEY JNNGEAWILNVFFD-CDJYTOATSA-N CH$LINK: COMPTOX DTXSID80944913 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO001302.txt b/Keio_Univ/MSBNK-Keio_Univ-KO001302.txt index ea314228d5a..6b0d3b42422 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO001302.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO001302.txt @@ -15,7 +15,7 @@ CH$LINK: CAS 22255-40-9 CH$LINK: CHEBI CHEBI:30632 CH$LINK: KEGG C01512 CH$LINK: NIKKAJI J15.893C -CH$LINK: PUBCHEM SID:4678 +CH$LINK: PUBCHEM CID:89640 CH$LINK: INCHIKEY JNNGEAWILNVFFD-CDJYTOATSA-N CH$LINK: COMPTOX DTXSID80944913 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO001303.txt b/Keio_Univ/MSBNK-Keio_Univ-KO001303.txt index 4bf336765c2..a269ff14b82 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO001303.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO001303.txt @@ -15,7 +15,7 @@ CH$LINK: CAS 22255-40-9 CH$LINK: CHEBI CHEBI:30632 CH$LINK: KEGG C01512 CH$LINK: NIKKAJI J15.893C -CH$LINK: PUBCHEM SID:4678 +CH$LINK: PUBCHEM CID:89640 CH$LINK: INCHIKEY JNNGEAWILNVFFD-CDJYTOATSA-N CH$LINK: COMPTOX DTXSID80944913 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO001304.txt b/Keio_Univ/MSBNK-Keio_Univ-KO001304.txt index d81dd7f91ae..9bd871e7e96 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO001304.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO001304.txt @@ -15,7 +15,7 @@ CH$LINK: CAS 22255-40-9 CH$LINK: CHEBI CHEBI:30632 CH$LINK: KEGG C01512 CH$LINK: NIKKAJI J15.893C -CH$LINK: PUBCHEM SID:4678 +CH$LINK: PUBCHEM CID:89640 CH$LINK: INCHIKEY JNNGEAWILNVFFD-CDJYTOATSA-N CH$LINK: COMPTOX DTXSID80944913 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO001305.txt b/Keio_Univ/MSBNK-Keio_Univ-KO001305.txt index e1b290a1d54..ad37fe2cce2 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO001305.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO001305.txt @@ -20,7 +20,7 @@ CH$LINK: CAS 97-67-6 CH$LINK: CHEBI CHEBI:30797 CH$LINK: KEGG C00149 CH$LINK: NIKKAJI J74.430A -CH$LINK: PUBCHEM SID:3449 +CH$LINK: PUBCHEM CID:222656 CH$LINK: INCHIKEY BJEPYKJPYRNKOW-REOHCLBHSA-N CH$LINK: COMPTOX DTXSID30273987 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO001306.txt b/Keio_Univ/MSBNK-Keio_Univ-KO001306.txt index f79b36b3bdd..6b99ab6e4b9 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO001306.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO001306.txt @@ -20,7 +20,7 @@ CH$LINK: CAS 97-67-6 CH$LINK: CHEBI CHEBI:30797 CH$LINK: KEGG C00149 CH$LINK: NIKKAJI J74.430A -CH$LINK: PUBCHEM SID:3449 +CH$LINK: PUBCHEM CID:222656 CH$LINK: INCHIKEY BJEPYKJPYRNKOW-REOHCLBHSA-N CH$LINK: COMPTOX DTXSID30273987 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO001307.txt b/Keio_Univ/MSBNK-Keio_Univ-KO001307.txt index 056d8466d24..e965fb6faa7 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO001307.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO001307.txt @@ -20,7 +20,7 @@ CH$LINK: CAS 97-67-6 CH$LINK: CHEBI CHEBI:30797 CH$LINK: KEGG C00149 CH$LINK: NIKKAJI J74.430A -CH$LINK: PUBCHEM SID:3449 +CH$LINK: PUBCHEM CID:222656 CH$LINK: INCHIKEY BJEPYKJPYRNKOW-REOHCLBHSA-N CH$LINK: COMPTOX DTXSID30273987 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO001308.txt b/Keio_Univ/MSBNK-Keio_Univ-KO001308.txt index cfffc77c71e..609cec3bff3 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO001308.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO001308.txt @@ -20,7 +20,7 @@ CH$LINK: CAS 97-67-6 CH$LINK: CHEBI CHEBI:30797 CH$LINK: KEGG C00149 CH$LINK: NIKKAJI J74.430A -CH$LINK: PUBCHEM SID:3449 +CH$LINK: PUBCHEM CID:222656 CH$LINK: INCHIKEY BJEPYKJPYRNKOW-REOHCLBHSA-N CH$LINK: COMPTOX DTXSID30273987 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO001309.txt b/Keio_Univ/MSBNK-Keio_Univ-KO001309.txt index 573fcd92cf8..458cb65654e 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO001309.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO001309.txt @@ -20,7 +20,7 @@ CH$LINK: CAS 97-67-6 CH$LINK: CHEBI CHEBI:30797 CH$LINK: KEGG C00149 CH$LINK: NIKKAJI J74.430A -CH$LINK: PUBCHEM SID:3449 +CH$LINK: PUBCHEM CID:222656 CH$LINK: INCHIKEY BJEPYKJPYRNKOW-REOHCLBHSA-N CH$LINK: COMPTOX DTXSID30273987 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO001310.txt b/Keio_Univ/MSBNK-Keio_Univ-KO001310.txt index b2747369cfc..ef97a7369ac 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO001310.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO001310.txt @@ -17,7 +17,7 @@ CH$LINK: CHEBI CHEBI:16643 CH$LINK: CHEMPDB MET CH$LINK: KEGG C00073 CH$LINK: NIKKAJI J9.174J -CH$LINK: PUBCHEM SID:3373 +CH$LINK: PUBCHEM CID:6137 CH$LINK: INCHIKEY FFEARJCKVFRZRR-BYPYZUCNSA-N CH$LINK: COMPTOX DTXSID5040548 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO001311.txt b/Keio_Univ/MSBNK-Keio_Univ-KO001311.txt index 73aab59bd7d..a4c58821094 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO001311.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO001311.txt @@ -17,7 +17,7 @@ CH$LINK: CHEBI CHEBI:16643 CH$LINK: CHEMPDB MET CH$LINK: KEGG C00073 CH$LINK: NIKKAJI J9.174J -CH$LINK: PUBCHEM SID:3373 +CH$LINK: PUBCHEM CID:6137 CH$LINK: INCHIKEY FFEARJCKVFRZRR-BYPYZUCNSA-N CH$LINK: COMPTOX DTXSID5040548 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO001312.txt b/Keio_Univ/MSBNK-Keio_Univ-KO001312.txt index 86a7dd76d4a..b2fcd259b0f 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO001312.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO001312.txt @@ -17,7 +17,7 @@ CH$LINK: CHEBI CHEBI:16643 CH$LINK: CHEMPDB MET CH$LINK: KEGG C00073 CH$LINK: NIKKAJI J9.174J -CH$LINK: PUBCHEM SID:3373 +CH$LINK: PUBCHEM CID:6137 CH$LINK: INCHIKEY FFEARJCKVFRZRR-BYPYZUCNSA-N CH$LINK: COMPTOX DTXSID5040548 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO001313.txt b/Keio_Univ/MSBNK-Keio_Univ-KO001313.txt index 9edee7d9456..dac8b04ec4f 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO001313.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO001313.txt @@ -17,7 +17,7 @@ CH$LINK: CHEBI CHEBI:16643 CH$LINK: CHEMPDB MET CH$LINK: KEGG C00073 CH$LINK: NIKKAJI J9.174J -CH$LINK: PUBCHEM SID:3373 +CH$LINK: PUBCHEM CID:6137 CH$LINK: INCHIKEY FFEARJCKVFRZRR-BYPYZUCNSA-N CH$LINK: COMPTOX DTXSID5040548 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO001314.txt b/Keio_Univ/MSBNK-Keio_Univ-KO001314.txt index a6270c6f8ea..e5ce4bcf893 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO001314.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO001314.txt @@ -17,7 +17,7 @@ CH$LINK: CHEBI CHEBI:16643 CH$LINK: CHEMPDB MET CH$LINK: KEGG C00073 CH$LINK: NIKKAJI J9.174J -CH$LINK: PUBCHEM SID:3373 +CH$LINK: PUBCHEM CID:6137 CH$LINK: INCHIKEY FFEARJCKVFRZRR-BYPYZUCNSA-N CH$LINK: COMPTOX DTXSID5040548 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO001315.txt b/Keio_Univ/MSBNK-Keio_Univ-KO001315.txt index 2ccd650937b..e2c2de97002 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO001315.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO001315.txt @@ -21,7 +21,7 @@ CH$SMILES: CC(C)C(=O)C(O)=O CH$IUPAC: InChI=1S/C5H8O3/c1-3(2)4(6)5(7)8/h3H,1-2H3,(H,7,8) CH$LINK: CHEBI CHEBI:16530 CH$LINK: KEGG C00141 -CH$LINK: PUBCHEM SID:3441 +CH$LINK: PUBCHEM CID:49 CH$LINK: INCHIKEY QHKABHOOEWYVLI-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID6061078 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO001316.txt b/Keio_Univ/MSBNK-Keio_Univ-KO001316.txt index 5455e3b6fff..eafeb9845eb 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO001316.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO001316.txt @@ -21,7 +21,7 @@ CH$SMILES: CC(C)C(=O)C(O)=O CH$IUPAC: InChI=1S/C5H8O3/c1-3(2)4(6)5(7)8/h3H,1-2H3,(H,7,8) CH$LINK: CHEBI CHEBI:16530 CH$LINK: KEGG C00141 -CH$LINK: PUBCHEM SID:3441 +CH$LINK: PUBCHEM CID:49 CH$LINK: INCHIKEY QHKABHOOEWYVLI-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID6061078 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO001317.txt b/Keio_Univ/MSBNK-Keio_Univ-KO001317.txt index ac21ddef90a..f2755956d80 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO001317.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO001317.txt @@ -21,7 +21,7 @@ CH$SMILES: CC(C)C(=O)C(O)=O CH$IUPAC: InChI=1S/C5H8O3/c1-3(2)4(6)5(7)8/h3H,1-2H3,(H,7,8) CH$LINK: CHEBI CHEBI:16530 CH$LINK: KEGG C00141 -CH$LINK: PUBCHEM SID:3441 +CH$LINK: PUBCHEM CID:49 CH$LINK: INCHIKEY QHKABHOOEWYVLI-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID6061078 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO001318.txt b/Keio_Univ/MSBNK-Keio_Univ-KO001318.txt index f9a274be151..e2fdd596b64 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO001318.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO001318.txt @@ -21,7 +21,7 @@ CH$SMILES: CC(C)C(=O)C(O)=O CH$IUPAC: InChI=1S/C5H8O3/c1-3(2)4(6)5(7)8/h3H,1-2H3,(H,7,8) CH$LINK: CHEBI CHEBI:16530 CH$LINK: KEGG C00141 -CH$LINK: PUBCHEM SID:3441 +CH$LINK: PUBCHEM CID:49 CH$LINK: INCHIKEY QHKABHOOEWYVLI-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID6061078 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO001319.txt b/Keio_Univ/MSBNK-Keio_Univ-KO001319.txt index d0a0aff7af5..a3cb596b098 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO001319.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO001319.txt @@ -14,7 +14,7 @@ CH$SMILES: CC(C)CC(=O)C(O)=O CH$IUPAC: InChI=1S/C6H10O3/c1-4(2)3-5(7)6(8)9/h4H,3H2,1-2H3,(H,8,9) CH$LINK: CHEBI CHEBI:17865 CH$LINK: KEGG C00233 -CH$LINK: PUBCHEM SID:3532 +CH$LINK: PUBCHEM CID:70 CH$LINK: INCHIKEY BKAJNAXTPSGJCU-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID6061157 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO001320.txt b/Keio_Univ/MSBNK-Keio_Univ-KO001320.txt index b9c91dea6f3..1232b5db8e3 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO001320.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO001320.txt @@ -14,7 +14,7 @@ CH$SMILES: CC(C)CC(=O)C(O)=O CH$IUPAC: InChI=1S/C6H10O3/c1-4(2)3-5(7)6(8)9/h4H,3H2,1-2H3,(H,8,9) CH$LINK: CHEBI CHEBI:17865 CH$LINK: KEGG C00233 -CH$LINK: PUBCHEM SID:3532 +CH$LINK: PUBCHEM CID:70 CH$LINK: INCHIKEY BKAJNAXTPSGJCU-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID6061157 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO001321.txt b/Keio_Univ/MSBNK-Keio_Univ-KO001321.txt index 43e5520e1cd..466c28656b0 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO001321.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO001321.txt @@ -14,7 +14,7 @@ CH$SMILES: CC(C)CC(=O)C(O)=O CH$IUPAC: InChI=1S/C6H10O3/c1-4(2)3-5(7)6(8)9/h4H,3H2,1-2H3,(H,8,9) CH$LINK: CHEBI CHEBI:17865 CH$LINK: KEGG C00233 -CH$LINK: PUBCHEM SID:3532 +CH$LINK: PUBCHEM CID:70 CH$LINK: INCHIKEY BKAJNAXTPSGJCU-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID6061157 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO001322.txt b/Keio_Univ/MSBNK-Keio_Univ-KO001322.txt index bb46132c213..920afe97def 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO001322.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO001322.txt @@ -14,7 +14,7 @@ CH$SMILES: CC(C)CC(=O)C(O)=O CH$IUPAC: InChI=1S/C6H10O3/c1-4(2)3-5(7)6(8)9/h4H,3H2,1-2H3,(H,8,9) CH$LINK: CHEBI CHEBI:17865 CH$LINK: KEGG C00233 -CH$LINK: PUBCHEM SID:3532 +CH$LINK: PUBCHEM CID:70 CH$LINK: INCHIKEY BKAJNAXTPSGJCU-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID6061157 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO001323.txt b/Keio_Univ/MSBNK-Keio_Univ-KO001323.txt index db7f9d82c15..08ba86799c8 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO001323.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO001323.txt @@ -14,7 +14,7 @@ CH$SMILES: CC(C)CC(=O)C(O)=O CH$IUPAC: InChI=1S/C6H10O3/c1-4(2)3-5(7)6(8)9/h4H,3H2,1-2H3,(H,8,9) CH$LINK: CHEBI CHEBI:17865 CH$LINK: KEGG C00233 -CH$LINK: PUBCHEM SID:3532 +CH$LINK: PUBCHEM CID:70 CH$LINK: INCHIKEY BKAJNAXTPSGJCU-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID6061157 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO001324.txt b/Keio_Univ/MSBNK-Keio_Univ-KO001324.txt index 2e8432c7556..9ddaaa59ac7 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO001324.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO001324.txt @@ -15,7 +15,7 @@ CH$IUPAC: InChI=1S/C6H13O9P/c7-3-2(1-14-16(11,12)13)15-6(10)5(9)4(3)8/h2-10H,1H2 CH$LINK: CAS 3672-15-9 CH$LINK: CHEBI CHEBI:17369 CH$LINK: KEGG C00275 -CH$LINK: PUBCHEM SID:3572 +CH$LINK: PUBCHEM CID:65127 CH$LINK: INCHIKEY NBSCHQHZLSJFNQ-QTVWNMPRSA-N AC$INSTRUMENT: API3000, Applied Biosystems AC$INSTRUMENT_TYPE: LC-ESI-QQ diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO001325.txt b/Keio_Univ/MSBNK-Keio_Univ-KO001325.txt index b09233cdb24..1332613a217 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO001325.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO001325.txt @@ -15,7 +15,7 @@ CH$IUPAC: InChI=1S/C6H13O9P/c7-3-2(1-14-16(11,12)13)15-6(10)5(9)4(3)8/h2-10H,1H2 CH$LINK: CAS 3672-15-9 CH$LINK: CHEBI CHEBI:17369 CH$LINK: KEGG C00275 -CH$LINK: PUBCHEM SID:3572 +CH$LINK: PUBCHEM CID:65127 CH$LINK: INCHIKEY NBSCHQHZLSJFNQ-QTVWNMPRSA-N AC$INSTRUMENT: API3000, Applied Biosystems AC$INSTRUMENT_TYPE: LC-ESI-QQ diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO001326.txt b/Keio_Univ/MSBNK-Keio_Univ-KO001326.txt index 8310669fc7e..c75839ea5cd 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO001326.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO001326.txt @@ -15,7 +15,7 @@ CH$IUPAC: InChI=1S/C6H13O9P/c7-3-2(1-14-16(11,12)13)15-6(10)5(9)4(3)8/h2-10H,1H2 CH$LINK: CAS 3672-15-9 CH$LINK: CHEBI CHEBI:17369 CH$LINK: KEGG C00275 -CH$LINK: PUBCHEM SID:3572 +CH$LINK: PUBCHEM CID:65127 CH$LINK: INCHIKEY NBSCHQHZLSJFNQ-QTVWNMPRSA-N AC$INSTRUMENT: API3000, Applied Biosystems AC$INSTRUMENT_TYPE: LC-ESI-QQ diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO001327.txt b/Keio_Univ/MSBNK-Keio_Univ-KO001327.txt index 777fb5d726d..9aadc5bd112 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO001327.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO001327.txt @@ -15,7 +15,7 @@ CH$IUPAC: InChI=1S/C6H13O9P/c7-3-2(1-14-16(11,12)13)15-6(10)5(9)4(3)8/h2-10H,1H2 CH$LINK: CAS 3672-15-9 CH$LINK: CHEBI CHEBI:17369 CH$LINK: KEGG C00275 -CH$LINK: PUBCHEM SID:3572 +CH$LINK: PUBCHEM CID:65127 CH$LINK: INCHIKEY NBSCHQHZLSJFNQ-QTVWNMPRSA-N AC$INSTRUMENT: API3000, Applied Biosystems AC$INSTRUMENT_TYPE: LC-ESI-QQ diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO001328.txt b/Keio_Univ/MSBNK-Keio_Univ-KO001328.txt index d51b420f37d..8f373bedc64 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO001328.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO001328.txt @@ -13,7 +13,7 @@ CH$EXACT_MASS: 147.05316 CH$SMILES: OC(=O)[C@@H](C)[C@H](N)C(O)=O CH$IUPAC: InChI=1S/C5H9NO4/c1-2(4(7)8)3(6)5(9)10/h2-3H,6H2,1H3,(H,7,8)(H,9,10)/t2-,3-/m0/s1 CH$LINK: KEGG C03618 -CH$LINK: PUBCHEM SID:6402 +CH$LINK: PUBCHEM CID:440064 CH$LINK: INCHIKEY LXRUAYBIUSUULX-HRFVKAFMSA-N AC$INSTRUMENT: API3000, Applied Biosystems AC$INSTRUMENT_TYPE: LC-ESI-QQ diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO001329.txt b/Keio_Univ/MSBNK-Keio_Univ-KO001329.txt index fa2e5b56d80..94561320b60 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO001329.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO001329.txt @@ -13,7 +13,7 @@ CH$EXACT_MASS: 147.05316 CH$SMILES: OC(=O)[C@@H](C)[C@H](N)C(O)=O CH$IUPAC: InChI=1S/C5H9NO4/c1-2(4(7)8)3(6)5(9)10/h2-3H,6H2,1H3,(H,7,8)(H,9,10)/t2-,3-/m0/s1 CH$LINK: KEGG C03618 -CH$LINK: PUBCHEM SID:6402 +CH$LINK: PUBCHEM CID:440064 CH$LINK: INCHIKEY LXRUAYBIUSUULX-HRFVKAFMSA-N AC$INSTRUMENT: API3000, Applied Biosystems AC$INSTRUMENT_TYPE: LC-ESI-QQ diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO001330.txt b/Keio_Univ/MSBNK-Keio_Univ-KO001330.txt index f925ac1def4..f660b78dced 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO001330.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO001330.txt @@ -13,7 +13,7 @@ CH$EXACT_MASS: 147.05316 CH$SMILES: OC(=O)[C@@H](C)[C@H](N)C(O)=O CH$IUPAC: InChI=1S/C5H9NO4/c1-2(4(7)8)3(6)5(9)10/h2-3H,6H2,1H3,(H,7,8)(H,9,10)/t2-,3-/m0/s1 CH$LINK: KEGG C03618 -CH$LINK: PUBCHEM SID:6402 +CH$LINK: PUBCHEM CID:440064 CH$LINK: INCHIKEY LXRUAYBIUSUULX-HRFVKAFMSA-N AC$INSTRUMENT: API3000, Applied Biosystems AC$INSTRUMENT_TYPE: LC-ESI-QQ diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO001331.txt b/Keio_Univ/MSBNK-Keio_Univ-KO001331.txt index a68ad0d9749..d69b142dda0 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO001331.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO001331.txt @@ -13,7 +13,7 @@ CH$EXACT_MASS: 147.05316 CH$SMILES: OC(=O)[C@@H](C)[C@H](N)C(O)=O CH$IUPAC: InChI=1S/C5H9NO4/c1-2(4(7)8)3(6)5(9)10/h2-3H,6H2,1H3,(H,7,8)(H,9,10)/t2-,3-/m0/s1 CH$LINK: KEGG C03618 -CH$LINK: PUBCHEM SID:6402 +CH$LINK: PUBCHEM CID:440064 CH$LINK: INCHIKEY LXRUAYBIUSUULX-HRFVKAFMSA-N AC$INSTRUMENT: API3000, Applied Biosystems AC$INSTRUMENT_TYPE: LC-ESI-QQ diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO001332.txt b/Keio_Univ/MSBNK-Keio_Univ-KO001332.txt index 1efd164dd9a..f6856f099ff 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO001332.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO001332.txt @@ -13,7 +13,7 @@ CH$EXACT_MASS: 147.05316 CH$SMILES: OC(=O)[C@@H](C)[C@H](N)C(O)=O CH$IUPAC: InChI=1S/C5H9NO4/c1-2(4(7)8)3(6)5(9)10/h2-3H,6H2,1H3,(H,7,8)(H,9,10)/t2-,3-/m0/s1 CH$LINK: KEGG C03618 -CH$LINK: PUBCHEM SID:6402 +CH$LINK: PUBCHEM CID:440064 CH$LINK: INCHIKEY LXRUAYBIUSUULX-HRFVKAFMSA-N AC$INSTRUMENT: API3000, Applied Biosystems AC$INSTRUMENT_TYPE: LC-ESI-QQ diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO001333.txt b/Keio_Univ/MSBNK-Keio_Univ-KO001333.txt index ee570e0424b..c284e348fae 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO001333.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO001333.txt @@ -17,7 +17,7 @@ CH$LINK: CHEBI CHEBI:30794 CH$LINK: CHEMPDB MLA CH$LINK: KEGG C00383 CH$LINK: NIKKAJI J2.541K -CH$LINK: PUBCHEM SID:3673 +CH$LINK: PUBCHEM CID:867 CH$LINK: INCHIKEY OFOBLEOULBTSOW-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID7021659 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO001334.txt b/Keio_Univ/MSBNK-Keio_Univ-KO001334.txt index 34b37e5e345..d7e43ec1740 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO001334.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO001334.txt @@ -17,7 +17,7 @@ CH$LINK: CHEBI CHEBI:30794 CH$LINK: CHEMPDB MLA CH$LINK: KEGG C00383 CH$LINK: NIKKAJI J2.541K -CH$LINK: PUBCHEM SID:3673 +CH$LINK: PUBCHEM CID:867 CH$LINK: INCHIKEY OFOBLEOULBTSOW-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID7021659 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO001335.txt b/Keio_Univ/MSBNK-Keio_Univ-KO001335.txt index 8ce4261aea5..e49ae618f10 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO001335.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO001335.txt @@ -17,7 +17,7 @@ CH$LINK: CHEBI CHEBI:30794 CH$LINK: CHEMPDB MLA CH$LINK: KEGG C00383 CH$LINK: NIKKAJI J2.541K -CH$LINK: PUBCHEM SID:3673 +CH$LINK: PUBCHEM CID:867 CH$LINK: INCHIKEY OFOBLEOULBTSOW-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID7021659 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO001336.txt b/Keio_Univ/MSBNK-Keio_Univ-KO001336.txt index 8309d1f1ac1..eb028ba4b98 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO001336.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO001336.txt @@ -17,7 +17,7 @@ CH$LINK: CHEBI CHEBI:30794 CH$LINK: CHEMPDB MLA CH$LINK: KEGG C00383 CH$LINK: NIKKAJI J2.541K -CH$LINK: PUBCHEM SID:3673 +CH$LINK: PUBCHEM CID:867 CH$LINK: INCHIKEY OFOBLEOULBTSOW-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID7021659 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO001337.txt b/Keio_Univ/MSBNK-Keio_Univ-KO001337.txt index c1f8266753f..35fcdc1a28a 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO001337.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO001337.txt @@ -17,7 +17,7 @@ CH$LINK: CHEBI CHEBI:30794 CH$LINK: CHEMPDB MLA CH$LINK: KEGG C00383 CH$LINK: NIKKAJI J2.541K -CH$LINK: PUBCHEM SID:3673 +CH$LINK: PUBCHEM CID:867 CH$LINK: INCHIKEY OFOBLEOULBTSOW-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID7021659 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO001338.txt b/Keio_Univ/MSBNK-Keio_Univ-KO001338.txt index 3996c9e0b97..65682752d80 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO001338.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO001338.txt @@ -16,7 +16,7 @@ CH$LINK: CHEBI CHEBI:30860 CH$LINK: CHEMPDB DXX CH$LINK: KEGG C02170 CH$LINK: NIKKAJI J6.302I -CH$LINK: PUBCHEM SID:5245 +CH$LINK: PUBCHEM CID:487 CH$LINK: INCHIKEY ZIYVHBGGAOATLY-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID00199549 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO001339.txt b/Keio_Univ/MSBNK-Keio_Univ-KO001339.txt index 474dbb33708..0029a47efba 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO001339.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO001339.txt @@ -16,7 +16,7 @@ CH$LINK: CHEBI CHEBI:30860 CH$LINK: CHEMPDB DXX CH$LINK: KEGG C02170 CH$LINK: NIKKAJI J6.302I -CH$LINK: PUBCHEM SID:5245 +CH$LINK: PUBCHEM CID:487 CH$LINK: INCHIKEY ZIYVHBGGAOATLY-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID00199549 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO001340.txt b/Keio_Univ/MSBNK-Keio_Univ-KO001340.txt index 4460ad2f2df..4226a88da38 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO001340.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO001340.txt @@ -16,7 +16,7 @@ CH$LINK: CHEBI CHEBI:30860 CH$LINK: CHEMPDB DXX CH$LINK: KEGG C02170 CH$LINK: NIKKAJI J6.302I -CH$LINK: PUBCHEM SID:5245 +CH$LINK: PUBCHEM CID:487 CH$LINK: INCHIKEY ZIYVHBGGAOATLY-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID00199549 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO001341.txt b/Keio_Univ/MSBNK-Keio_Univ-KO001341.txt index e00da3526f2..f304458059a 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO001341.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO001341.txt @@ -16,7 +16,7 @@ CH$LINK: CHEBI CHEBI:30860 CH$LINK: CHEMPDB DXX CH$LINK: KEGG C02170 CH$LINK: NIKKAJI J6.302I -CH$LINK: PUBCHEM SID:5245 +CH$LINK: PUBCHEM CID:487 CH$LINK: INCHIKEY ZIYVHBGGAOATLY-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID00199549 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO001342.txt b/Keio_Univ/MSBNK-Keio_Univ-KO001342.txt index eb6d095a9b0..bc053fd59ee 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO001342.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO001342.txt @@ -16,7 +16,7 @@ CH$LINK: CHEBI CHEBI:30860 CH$LINK: CHEMPDB DXX CH$LINK: KEGG C02170 CH$LINK: NIKKAJI J6.302I -CH$LINK: PUBCHEM SID:5245 +CH$LINK: PUBCHEM CID:487 CH$LINK: INCHIKEY ZIYVHBGGAOATLY-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID00199549 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO001343.txt b/Keio_Univ/MSBNK-Keio_Univ-KO001343.txt index 4c1208333f6..30acb317317 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO001343.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO001343.txt @@ -16,7 +16,7 @@ CH$LINK: CAS 616-04-6 CH$LINK: CHEBI CHEBI:16354 CH$LINK: KEGG C02565 CH$LINK: NIKKAJI J100.995H -CH$LINK: PUBCHEM SID:5563 +CH$LINK: PUBCHEM CID:69217 CH$LINK: INCHIKEY RHYBFKMFHLPQPH-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID90210595 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO001344.txt b/Keio_Univ/MSBNK-Keio_Univ-KO001344.txt index 1ddf1b04c38..0d9e82e244d 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO001344.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO001344.txt @@ -16,7 +16,7 @@ CH$LINK: CAS 616-04-6 CH$LINK: CHEBI CHEBI:16354 CH$LINK: KEGG C02565 CH$LINK: NIKKAJI J100.995H -CH$LINK: PUBCHEM SID:5563 +CH$LINK: PUBCHEM CID:69217 CH$LINK: INCHIKEY RHYBFKMFHLPQPH-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID90210595 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO001345.txt b/Keio_Univ/MSBNK-Keio_Univ-KO001345.txt index 7759ae0b117..4bb3cfcaedb 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO001345.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO001345.txt @@ -16,7 +16,7 @@ CH$LINK: CAS 616-04-6 CH$LINK: CHEBI CHEBI:16354 CH$LINK: KEGG C02565 CH$LINK: NIKKAJI J100.995H -CH$LINK: PUBCHEM SID:5563 +CH$LINK: PUBCHEM CID:69217 CH$LINK: INCHIKEY RHYBFKMFHLPQPH-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID90210595 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO001346.txt b/Keio_Univ/MSBNK-Keio_Univ-KO001346.txt index 0258f514ee1..ae3c72e76c2 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO001346.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO001346.txt @@ -16,7 +16,7 @@ CH$LINK: CAS 616-04-6 CH$LINK: CHEBI CHEBI:16354 CH$LINK: KEGG C02565 CH$LINK: NIKKAJI J100.995H -CH$LINK: PUBCHEM SID:5563 +CH$LINK: PUBCHEM CID:69217 CH$LINK: INCHIKEY RHYBFKMFHLPQPH-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID90210595 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO001347.txt b/Keio_Univ/MSBNK-Keio_Univ-KO001347.txt index 80e32a69a50..9dad3161a1d 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO001347.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO001347.txt @@ -16,7 +16,7 @@ CH$LINK: CAS 616-04-6 CH$LINK: CHEBI CHEBI:16354 CH$LINK: KEGG C02565 CH$LINK: NIKKAJI J100.995H -CH$LINK: PUBCHEM SID:5563 +CH$LINK: PUBCHEM CID:69217 CH$LINK: INCHIKEY RHYBFKMFHLPQPH-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID90210595 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO001352.txt b/Keio_Univ/MSBNK-Keio_Univ-KO001352.txt index a514d34f762..188f8d5d685 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO001352.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO001352.txt @@ -18,7 +18,7 @@ CH$IUPAC: InChI=1S/C8H8O2/c1-6-3-2-4-7(5-6)8(9)10/h2-5H,1H3,(H,9,10) CH$LINK: CAS 99-04-7 CH$LINK: KEGG C07211 CH$LINK: NIKKAJI J47.804K -CH$LINK: PUBCHEM SID:9420 +CH$LINK: PUBCHEM CID:7418 CH$LINK: INCHIKEY GPSDUZXPYCFOSQ-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID1021617 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO001353.txt b/Keio_Univ/MSBNK-Keio_Univ-KO001353.txt index c6967bd779c..68fa86a168b 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO001353.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO001353.txt @@ -18,7 +18,7 @@ CH$IUPAC: InChI=1S/C8H8O2/c1-6-3-2-4-7(5-6)8(9)10/h2-5H,1H3,(H,9,10) CH$LINK: CAS 99-04-7 CH$LINK: KEGG C07211 CH$LINK: NIKKAJI J47.804K -CH$LINK: PUBCHEM SID:9420 +CH$LINK: PUBCHEM CID:7418 CH$LINK: INCHIKEY GPSDUZXPYCFOSQ-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID1021617 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO001354.txt b/Keio_Univ/MSBNK-Keio_Univ-KO001354.txt index 9fe19c1b045..9efd3a86196 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO001354.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO001354.txt @@ -18,7 +18,7 @@ CH$IUPAC: InChI=1S/C8H8O2/c1-6-3-2-4-7(5-6)8(9)10/h2-5H,1H3,(H,9,10) CH$LINK: CAS 99-04-7 CH$LINK: KEGG C07211 CH$LINK: NIKKAJI J47.804K -CH$LINK: PUBCHEM SID:9420 +CH$LINK: PUBCHEM CID:7418 CH$LINK: INCHIKEY GPSDUZXPYCFOSQ-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID1021617 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO001355.txt b/Keio_Univ/MSBNK-Keio_Univ-KO001355.txt index 3d4d75f44fe..71474d4d2a7 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO001355.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO001355.txt @@ -18,7 +18,7 @@ CH$IUPAC: InChI=1S/C8H8O2/c1-6-3-2-4-7(5-6)8(9)10/h2-5H,1H3,(H,9,10) CH$LINK: CAS 99-04-7 CH$LINK: KEGG C07211 CH$LINK: NIKKAJI J47.804K -CH$LINK: PUBCHEM SID:9420 +CH$LINK: PUBCHEM CID:7418 CH$LINK: INCHIKEY GPSDUZXPYCFOSQ-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID1021617 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO001356.txt b/Keio_Univ/MSBNK-Keio_Univ-KO001356.txt index f523f1b9a98..0725b6b93f7 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO001356.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO001356.txt @@ -14,7 +14,7 @@ CH$IUPAC: InChI=1S/CH4O3S/c1-5(2,3)4/h1H3,(H,2,3,4) CH$LINK: CAS 75-75-2 CH$LINK: KEGG C11145 CH$LINK: NIKKAJI J1.465F -CH$LINK: PUBCHEM SID:13327 +CH$LINK: PUBCHEM CID:6395 CH$LINK: INCHIKEY AFVFQIVMOAPDHO-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID4026422 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO001357.txt b/Keio_Univ/MSBNK-Keio_Univ-KO001357.txt index d4d10d0d4ce..5ca1eaa1147 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO001357.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO001357.txt @@ -14,7 +14,7 @@ CH$IUPAC: InChI=1S/CH4O3S/c1-5(2,3)4/h1H3,(H,2,3,4) CH$LINK: CAS 75-75-2 CH$LINK: KEGG C11145 CH$LINK: NIKKAJI J1.465F -CH$LINK: PUBCHEM SID:13327 +CH$LINK: PUBCHEM CID:6395 CH$LINK: INCHIKEY AFVFQIVMOAPDHO-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID4026422 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO001358.txt b/Keio_Univ/MSBNK-Keio_Univ-KO001358.txt index 28e2e3e32f3..2d7262eb6e2 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO001358.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO001358.txt @@ -14,7 +14,7 @@ CH$IUPAC: InChI=1S/CH4O3S/c1-5(2,3)4/h1H3,(H,2,3,4) CH$LINK: CAS 75-75-2 CH$LINK: KEGG C11145 CH$LINK: NIKKAJI J1.465F -CH$LINK: PUBCHEM SID:13327 +CH$LINK: PUBCHEM CID:6395 CH$LINK: INCHIKEY AFVFQIVMOAPDHO-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID4026422 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO001359.txt b/Keio_Univ/MSBNK-Keio_Univ-KO001359.txt index aac5fea5700..739bcbce05e 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO001359.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO001359.txt @@ -14,7 +14,7 @@ CH$IUPAC: InChI=1S/CH4O3S/c1-5(2,3)4/h1H3,(H,2,3,4) CH$LINK: CAS 75-75-2 CH$LINK: KEGG C11145 CH$LINK: NIKKAJI J1.465F -CH$LINK: PUBCHEM SID:13327 +CH$LINK: PUBCHEM CID:6395 CH$LINK: INCHIKEY AFVFQIVMOAPDHO-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID4026422 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO001360.txt b/Keio_Univ/MSBNK-Keio_Univ-KO001360.txt index 18330e6df33..3b3ee7355f8 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO001360.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO001360.txt @@ -14,7 +14,7 @@ CH$IUPAC: InChI=1S/CH4O3S/c1-5(2,3)4/h1H3,(H,2,3,4) CH$LINK: CAS 75-75-2 CH$LINK: KEGG C11145 CH$LINK: NIKKAJI J1.465F -CH$LINK: PUBCHEM SID:13327 +CH$LINK: PUBCHEM CID:6395 CH$LINK: INCHIKEY AFVFQIVMOAPDHO-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID4026422 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO001366.txt b/Keio_Univ/MSBNK-Keio_Univ-KO001366.txt index b95a3e1c8d5..488257c0ae9 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO001366.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO001366.txt @@ -16,7 +16,7 @@ CH$LINK: CAS 3913-67-5 CH$LINK: CHEBI CHEBI:17519 CH$LINK: KEGG C02721 CH$LINK: NIKKAJI J130.628F -CH$LINK: PUBCHEM SID:5683 +CH$LINK: PUBCHEM CID:5288725 CH$LINK: INCHIKEY GDFAOVXKHJXLEI-VKHMYHEASA-N CH$LINK: COMPTOX DTXSID30959936 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO001367.txt b/Keio_Univ/MSBNK-Keio_Univ-KO001367.txt index 35ed11af14d..4d71a60bfa3 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO001367.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO001367.txt @@ -16,7 +16,7 @@ CH$LINK: CAS 3913-67-5 CH$LINK: CHEBI CHEBI:17519 CH$LINK: KEGG C02721 CH$LINK: NIKKAJI J130.628F -CH$LINK: PUBCHEM SID:5683 +CH$LINK: PUBCHEM CID:5288725 CH$LINK: INCHIKEY GDFAOVXKHJXLEI-VKHMYHEASA-N CH$LINK: COMPTOX DTXSID30959936 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO001368.txt b/Keio_Univ/MSBNK-Keio_Univ-KO001368.txt index c3a7daf8ad2..f447a359f99 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO001368.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO001368.txt @@ -16,7 +16,7 @@ CH$LINK: CAS 3913-67-5 CH$LINK: CHEBI CHEBI:17519 CH$LINK: KEGG C02721 CH$LINK: NIKKAJI J130.628F -CH$LINK: PUBCHEM SID:5683 +CH$LINK: PUBCHEM CID:5288725 CH$LINK: INCHIKEY GDFAOVXKHJXLEI-VKHMYHEASA-N CH$LINK: COMPTOX DTXSID30959936 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO001374.txt b/Keio_Univ/MSBNK-Keio_Univ-KO001374.txt index 56e0f7e2f17..eade235eecf 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO001374.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO001374.txt @@ -13,7 +13,7 @@ CH$IUPAC: InChI=1S/C12H9N3O/c1-8-11(9-2-4-14-5-3-9)6-10(7-13)12(16)15-8/h2-6H,1H CH$LINK: CAS 78415-72-2 CH$LINK: KEGG C07224 CH$LINK: NIKKAJI J23.655A -CH$LINK: PUBCHEM SID:9433 +CH$LINK: PUBCHEM CID:4197 CH$LINK: INCHIKEY PZRHRDRVRGEVNW-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID5023324 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO001375.txt b/Keio_Univ/MSBNK-Keio_Univ-KO001375.txt index 731059afc97..e08fd8e18b7 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO001375.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO001375.txt @@ -13,7 +13,7 @@ CH$IUPAC: InChI=1S/C12H9N3O/c1-8-11(9-2-4-14-5-3-9)6-10(7-13)12(16)15-8/h2-6H,1H CH$LINK: CAS 78415-72-2 CH$LINK: KEGG C07224 CH$LINK: NIKKAJI J23.655A -CH$LINK: PUBCHEM SID:9433 +CH$LINK: PUBCHEM CID:4197 CH$LINK: INCHIKEY PZRHRDRVRGEVNW-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID5023324 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO001376.txt b/Keio_Univ/MSBNK-Keio_Univ-KO001376.txt index fb075224957..631a254c881 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO001376.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO001376.txt @@ -13,7 +13,7 @@ CH$IUPAC: InChI=1S/C12H9N3O/c1-8-11(9-2-4-14-5-3-9)6-10(7-13)12(16)15-8/h2-6H,1H CH$LINK: CAS 78415-72-2 CH$LINK: KEGG C07224 CH$LINK: NIKKAJI J23.655A -CH$LINK: PUBCHEM SID:9433 +CH$LINK: PUBCHEM CID:4197 CH$LINK: INCHIKEY PZRHRDRVRGEVNW-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID5023324 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO001377.txt b/Keio_Univ/MSBNK-Keio_Univ-KO001377.txt index dc950fe7133..44da09d4522 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO001377.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO001377.txt @@ -13,7 +13,7 @@ CH$IUPAC: InChI=1S/C12H9N3O/c1-8-11(9-2-4-14-5-3-9)6-10(7-13)12(16)15-8/h2-6H,1H CH$LINK: CAS 78415-72-2 CH$LINK: KEGG C07224 CH$LINK: NIKKAJI J23.655A -CH$LINK: PUBCHEM SID:9433 +CH$LINK: PUBCHEM CID:4197 CH$LINK: INCHIKEY PZRHRDRVRGEVNW-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID5023324 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO001378.txt b/Keio_Univ/MSBNK-Keio_Univ-KO001378.txt index 90d1e18b0a6..1161fd1b9c6 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO001378.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO001378.txt @@ -13,7 +13,7 @@ CH$IUPAC: InChI=1S/C12H9N3O/c1-8-11(9-2-4-14-5-3-9)6-10(7-13)12(16)15-8/h2-6H,1H CH$LINK: CAS 78415-72-2 CH$LINK: KEGG C07224 CH$LINK: NIKKAJI J23.655A -CH$LINK: PUBCHEM SID:9433 +CH$LINK: PUBCHEM CID:4197 CH$LINK: INCHIKEY PZRHRDRVRGEVNW-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID5023324 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO001379.txt b/Keio_Univ/MSBNK-Keio_Univ-KO001379.txt index ea773d74bd8..63415c95f4b 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO001379.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO001379.txt @@ -13,7 +13,7 @@ CH$IUPAC: InChI=1S/C11H14N2O/c1-14-9-2-3-11-10(6-9)8(4-5-12)7-13-11/h2-3,6-7,13H CH$LINK: CAS 608-07-1 CH$LINK: KEGG C05659 CH$LINK: NIKKAJI J7.009B -CH$LINK: PUBCHEM SID:7970 +CH$LINK: PUBCHEM CID:1833 CH$LINK: INCHIKEY JTEJPPKMYBDEMY-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID60209638 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO001380.txt b/Keio_Univ/MSBNK-Keio_Univ-KO001380.txt index a4dc3690bf5..0072df9ad91 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO001380.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO001380.txt @@ -13,7 +13,7 @@ CH$IUPAC: InChI=1S/C11H14N2O/c1-14-9-2-3-11-10(6-9)8(4-5-12)7-13-11/h2-3,6-7,13H CH$LINK: CAS 608-07-1 CH$LINK: KEGG C05659 CH$LINK: NIKKAJI J7.009B -CH$LINK: PUBCHEM SID:7970 +CH$LINK: PUBCHEM CID:1833 CH$LINK: INCHIKEY JTEJPPKMYBDEMY-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID60209638 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO001381.txt b/Keio_Univ/MSBNK-Keio_Univ-KO001381.txt index 70bfd543aa1..e60aa861d66 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO001381.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO001381.txt @@ -13,7 +13,7 @@ CH$IUPAC: InChI=1S/C11H14N2O/c1-14-9-2-3-11-10(6-9)8(4-5-12)7-13-11/h2-3,6-7,13H CH$LINK: CAS 608-07-1 CH$LINK: KEGG C05659 CH$LINK: NIKKAJI J7.009B -CH$LINK: PUBCHEM SID:7970 +CH$LINK: PUBCHEM CID:1833 CH$LINK: INCHIKEY JTEJPPKMYBDEMY-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID60209638 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO001382.txt b/Keio_Univ/MSBNK-Keio_Univ-KO001382.txt index 73ed7163ee3..bb2818220a2 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO001382.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO001382.txt @@ -13,7 +13,7 @@ CH$IUPAC: InChI=1S/C11H14N2O/c1-14-9-2-3-11-10(6-9)8(4-5-12)7-13-11/h2-3,6-7,13H CH$LINK: CAS 608-07-1 CH$LINK: KEGG C05659 CH$LINK: NIKKAJI J7.009B -CH$LINK: PUBCHEM SID:7970 +CH$LINK: PUBCHEM CID:1833 CH$LINK: INCHIKEY JTEJPPKMYBDEMY-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID60209638 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO001383.txt b/Keio_Univ/MSBNK-Keio_Univ-KO001383.txt index e8d497bbd73..58535df1d80 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO001383.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO001383.txt @@ -13,7 +13,7 @@ CH$IUPAC: InChI=1S/C11H14N2O/c1-14-9-2-3-11-10(6-9)8(4-5-12)7-13-11/h2-3,6-7,13H CH$LINK: CAS 608-07-1 CH$LINK: KEGG C05659 CH$LINK: NIKKAJI J7.009B -CH$LINK: PUBCHEM SID:7970 +CH$LINK: PUBCHEM CID:1833 CH$LINK: INCHIKEY JTEJPPKMYBDEMY-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID60209638 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO001384.txt b/Keio_Univ/MSBNK-Keio_Univ-KO001384.txt index 725bcb9be47..9c35e3537c8 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO001384.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO001384.txt @@ -18,7 +18,7 @@ CH$LINK: CHEBI CHEBI:28875 CH$LINK: CHEMPDB MYR CH$LINK: KEGG C06424 CH$LINK: NIKKAJI J4.411C -CH$LINK: PUBCHEM SID:8659 +CH$LINK: PUBCHEM CID:11005 CH$LINK: INCHIKEY TUNFSRHWOTWDNC-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID6021666 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO001385.txt b/Keio_Univ/MSBNK-Keio_Univ-KO001385.txt index 363faf471e4..613c990e9e9 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO001385.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO001385.txt @@ -18,7 +18,7 @@ CH$LINK: CHEBI CHEBI:28875 CH$LINK: CHEMPDB MYR CH$LINK: KEGG C06424 CH$LINK: NIKKAJI J4.411C -CH$LINK: PUBCHEM SID:8659 +CH$LINK: PUBCHEM CID:11005 CH$LINK: INCHIKEY TUNFSRHWOTWDNC-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID6021666 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO001386.txt b/Keio_Univ/MSBNK-Keio_Univ-KO001386.txt index 1ca87cbb078..df733cdaa07 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO001386.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO001386.txt @@ -18,7 +18,7 @@ CH$LINK: CHEBI CHEBI:28875 CH$LINK: CHEMPDB MYR CH$LINK: KEGG C06424 CH$LINK: NIKKAJI J4.411C -CH$LINK: PUBCHEM SID:8659 +CH$LINK: PUBCHEM CID:11005 CH$LINK: INCHIKEY TUNFSRHWOTWDNC-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID6021666 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO001387.txt b/Keio_Univ/MSBNK-Keio_Univ-KO001387.txt index 00b39018907..3674b9cf065 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO001387.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO001387.txt @@ -18,7 +18,7 @@ CH$LINK: CHEBI CHEBI:28875 CH$LINK: CHEMPDB MYR CH$LINK: KEGG C06424 CH$LINK: NIKKAJI J4.411C -CH$LINK: PUBCHEM SID:8659 +CH$LINK: PUBCHEM CID:11005 CH$LINK: INCHIKEY TUNFSRHWOTWDNC-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID6021666 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO001388.txt b/Keio_Univ/MSBNK-Keio_Univ-KO001388.txt index b31206d063b..3f8011cb2bc 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO001388.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO001388.txt @@ -18,7 +18,7 @@ CH$LINK: CHEBI CHEBI:28875 CH$LINK: CHEMPDB MYR CH$LINK: KEGG C06424 CH$LINK: NIKKAJI J4.411C -CH$LINK: PUBCHEM SID:8659 +CH$LINK: PUBCHEM CID:11005 CH$LINK: INCHIKEY TUNFSRHWOTWDNC-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID6021666 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO001389.txt b/Keio_Univ/MSBNK-Keio_Univ-KO001389.txt index 44bdc799c56..03cd7d1eb2f 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO001389.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO001389.txt @@ -14,7 +14,7 @@ CH$IUPAC: InChI=1S/C6H7N5O/c1-11-4-3(8-2-9-4)5(12)10-6(11)7/h2H,1H3,(H,8,9)(H2,7 CH$LINK: CAS 2958-98-7 CH$LINK: KEGG C02230 CH$LINK: NIKKAJI J101.565F -CH$LINK: PUBCHEM SID:5294 +CH$LINK: PUBCHEM CID:76292 CH$LINK: INCHIKEY XHBSBNYEHDQRCP-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID90183755 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO001390.txt b/Keio_Univ/MSBNK-Keio_Univ-KO001390.txt index f0372ce4ecf..0641b5077ca 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO001390.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO001390.txt @@ -14,7 +14,7 @@ CH$IUPAC: InChI=1S/C6H7N5O/c1-11-4-3(8-2-9-4)5(12)10-6(11)7/h2H,1H3,(H,8,9)(H2,7 CH$LINK: CAS 2958-98-7 CH$LINK: KEGG C02230 CH$LINK: NIKKAJI J101.565F -CH$LINK: PUBCHEM SID:5294 +CH$LINK: PUBCHEM CID:76292 CH$LINK: INCHIKEY XHBSBNYEHDQRCP-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID90183755 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO001391.txt b/Keio_Univ/MSBNK-Keio_Univ-KO001391.txt index fc2a191574c..2db52e1bbce 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO001391.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO001391.txt @@ -14,7 +14,7 @@ CH$IUPAC: InChI=1S/C6H7N5O/c1-11-4-3(8-2-9-4)5(12)10-6(11)7/h2H,1H3,(H,8,9)(H2,7 CH$LINK: CAS 2958-98-7 CH$LINK: KEGG C02230 CH$LINK: NIKKAJI J101.565F -CH$LINK: PUBCHEM SID:5294 +CH$LINK: PUBCHEM CID:76292 CH$LINK: INCHIKEY XHBSBNYEHDQRCP-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID90183755 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO001392.txt b/Keio_Univ/MSBNK-Keio_Univ-KO001392.txt index 6b62ec47e02..aa5164d9a6c 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO001392.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO001392.txt @@ -14,7 +14,7 @@ CH$IUPAC: InChI=1S/C6H7N5O/c1-11-4-3(8-2-9-4)5(12)10-6(11)7/h2H,1H3,(H,8,9)(H2,7 CH$LINK: CAS 2958-98-7 CH$LINK: KEGG C02230 CH$LINK: NIKKAJI J101.565F -CH$LINK: PUBCHEM SID:5294 +CH$LINK: PUBCHEM CID:76292 CH$LINK: INCHIKEY XHBSBNYEHDQRCP-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID90183755 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO001393.txt b/Keio_Univ/MSBNK-Keio_Univ-KO001393.txt index d842ca1681b..f1e36357064 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO001393.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO001393.txt @@ -14,7 +14,7 @@ CH$IUPAC: InChI=1S/C6H7N5O/c1-11-4-3(8-2-9-4)5(12)10-6(11)7/h2H,1H3,(H,8,9)(H2,7 CH$LINK: CAS 2958-98-7 CH$LINK: KEGG C02230 CH$LINK: NIKKAJI J101.565F -CH$LINK: PUBCHEM SID:5294 +CH$LINK: PUBCHEM CID:76292 CH$LINK: INCHIKEY XHBSBNYEHDQRCP-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID90183755 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO001394.txt b/Keio_Univ/MSBNK-Keio_Univ-KO001394.txt index f7da922c27b..348aac217ef 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO001394.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO001394.txt @@ -13,7 +13,7 @@ CH$IUPAC: InChI=1S/C6H7N5O/c1-11-2-8-4-3(11)5(12)10-6(7)9-4/h2H,1H3,(H3,7,9,10,1 CH$LINK: CAS 578-76-7 CH$LINK: KEGG C02242 CH$LINK: NIKKAJI J101.566D -CH$LINK: PUBCHEM SID:5305 +CH$LINK: PUBCHEM CID:135398679 CH$LINK: INCHIKEY FZWGECJQACGGTI-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID9020873 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO001395.txt b/Keio_Univ/MSBNK-Keio_Univ-KO001395.txt index feee0305603..59eca2fdb52 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO001395.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO001395.txt @@ -13,7 +13,7 @@ CH$IUPAC: InChI=1S/C6H7N5O/c1-11-2-8-4-3(11)5(12)10-6(7)9-4/h2H,1H3,(H3,7,9,10,1 CH$LINK: CAS 578-76-7 CH$LINK: KEGG C02242 CH$LINK: NIKKAJI J101.566D -CH$LINK: PUBCHEM SID:5305 +CH$LINK: PUBCHEM CID:135398679 CH$LINK: INCHIKEY FZWGECJQACGGTI-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID9020873 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO001396.txt b/Keio_Univ/MSBNK-Keio_Univ-KO001396.txt index 15e830a043f..c2e62869dcb 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO001396.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO001396.txt @@ -13,7 +13,7 @@ CH$IUPAC: InChI=1S/C6H7N5O/c1-11-2-8-4-3(11)5(12)10-6(7)9-4/h2H,1H3,(H3,7,9,10,1 CH$LINK: CAS 578-76-7 CH$LINK: KEGG C02242 CH$LINK: NIKKAJI J101.566D -CH$LINK: PUBCHEM SID:5305 +CH$LINK: PUBCHEM CID:135398679 CH$LINK: INCHIKEY FZWGECJQACGGTI-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID9020873 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO001397.txt b/Keio_Univ/MSBNK-Keio_Univ-KO001397.txt index b442c7daa35..f7543ffea8e 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO001397.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO001397.txt @@ -13,7 +13,7 @@ CH$IUPAC: InChI=1S/C6H7N5O/c1-11-2-8-4-3(11)5(12)10-6(7)9-4/h2H,1H3,(H3,7,9,10,1 CH$LINK: CAS 578-76-7 CH$LINK: KEGG C02242 CH$LINK: NIKKAJI J101.566D -CH$LINK: PUBCHEM SID:5305 +CH$LINK: PUBCHEM CID:135398679 CH$LINK: INCHIKEY FZWGECJQACGGTI-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID9020873 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO001398.txt b/Keio_Univ/MSBNK-Keio_Univ-KO001398.txt index 1519cc92af6..143daee5223 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO001398.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO001398.txt @@ -13,7 +13,7 @@ CH$IUPAC: InChI=1S/C6H7N5O/c1-11-2-8-4-3(11)5(12)10-6(7)9-4/h2H,1H3,(H3,7,9,10,1 CH$LINK: CAS 578-76-7 CH$LINK: KEGG C02242 CH$LINK: NIKKAJI J101.566D -CH$LINK: PUBCHEM SID:5305 +CH$LINK: PUBCHEM CID:135398679 CH$LINK: INCHIKEY FZWGECJQACGGTI-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID9020873 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO001400.txt b/Keio_Univ/MSBNK-Keio_Univ-KO001400.txt index 10798f3c3bb..d73f783be81 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO001400.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO001400.txt @@ -17,7 +17,7 @@ CH$IUPAC: InChI=1S/C14H26O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14(15)16/h5-6H,2-4,7- CH$LINK: CAS 544-64-9 CH$LINK: KEGG C08322 CH$LINK: NIKKAJI J11.362J -CH$LINK: PUBCHEM SID:10520 +CH$LINK: PUBCHEM CID:5281119 CH$LINK: INCHIKEY YWWVWXASSLXJHU-WAYWQWQTSA-N CH$LINK: COMPTOX DTXSID5041568 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO001401.txt b/Keio_Univ/MSBNK-Keio_Univ-KO001401.txt index 1da2ac57963..c98368704a7 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO001401.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO001401.txt @@ -17,7 +17,7 @@ CH$IUPAC: InChI=1S/C14H26O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14(15)16/h5-6H,2-4,7- CH$LINK: CAS 544-64-9 CH$LINK: KEGG C08322 CH$LINK: NIKKAJI J11.362J -CH$LINK: PUBCHEM SID:10520 +CH$LINK: PUBCHEM CID:5281119 CH$LINK: INCHIKEY YWWVWXASSLXJHU-WAYWQWQTSA-N CH$LINK: COMPTOX DTXSID5041568 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO001402.txt b/Keio_Univ/MSBNK-Keio_Univ-KO001402.txt index 4d7623eafc3..7c8d2a8cf75 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO001402.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO001402.txt @@ -17,7 +17,7 @@ CH$IUPAC: InChI=1S/C14H26O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14(15)16/h5-6H,2-4,7- CH$LINK: CAS 544-64-9 CH$LINK: KEGG C08322 CH$LINK: NIKKAJI J11.362J -CH$LINK: PUBCHEM SID:10520 +CH$LINK: PUBCHEM CID:5281119 CH$LINK: INCHIKEY YWWVWXASSLXJHU-WAYWQWQTSA-N CH$LINK: COMPTOX DTXSID5041568 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO001403.txt b/Keio_Univ/MSBNK-Keio_Univ-KO001403.txt index d8b036cd233..8db37d37301 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO001403.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO001403.txt @@ -17,7 +17,7 @@ CH$IUPAC: InChI=1S/C14H26O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14(15)16/h5-6H,2-4,7- CH$LINK: CAS 544-64-9 CH$LINK: KEGG C08322 CH$LINK: NIKKAJI J11.362J -CH$LINK: PUBCHEM SID:10520 +CH$LINK: PUBCHEM CID:5281119 CH$LINK: INCHIKEY YWWVWXASSLXJHU-WAYWQWQTSA-N CH$LINK: COMPTOX DTXSID5041568 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO001407.txt b/Keio_Univ/MSBNK-Keio_Univ-KO001407.txt index b7c3d0e1763..1780443b6c9 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO001407.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO001407.txt @@ -15,7 +15,7 @@ CH$LINK: CAS 73-31-4 CH$LINK: CHEBI CHEBI:16796 CH$LINK: KEGG C01598 CH$LINK: NIKKAJI J5.258B -CH$LINK: PUBCHEM SID:4752 +CH$LINK: PUBCHEM CID:896 CH$LINK: INCHIKEY DRLFMBDRBRZALE-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID1022421 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO001408.txt b/Keio_Univ/MSBNK-Keio_Univ-KO001408.txt index 4612ac2c3ce..87410d2e420 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO001408.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO001408.txt @@ -15,7 +15,7 @@ CH$LINK: CAS 73-31-4 CH$LINK: CHEBI CHEBI:16796 CH$LINK: KEGG C01598 CH$LINK: NIKKAJI J5.258B -CH$LINK: PUBCHEM SID:4752 +CH$LINK: PUBCHEM CID:896 CH$LINK: INCHIKEY DRLFMBDRBRZALE-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID1022421 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO001409.txt b/Keio_Univ/MSBNK-Keio_Univ-KO001409.txt index 8b060176ec0..25c2015940a 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO001409.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO001409.txt @@ -15,7 +15,7 @@ CH$LINK: CAS 73-31-4 CH$LINK: CHEBI CHEBI:16796 CH$LINK: KEGG C01598 CH$LINK: NIKKAJI J5.258B -CH$LINK: PUBCHEM SID:4752 +CH$LINK: PUBCHEM CID:896 CH$LINK: INCHIKEY DRLFMBDRBRZALE-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID1022421 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO001410.txt b/Keio_Univ/MSBNK-Keio_Univ-KO001410.txt index 72f1d1381a1..d55d2474d3a 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO001410.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO001410.txt @@ -15,7 +15,7 @@ CH$LINK: CAS 73-31-4 CH$LINK: CHEBI CHEBI:16796 CH$LINK: KEGG C01598 CH$LINK: NIKKAJI J5.258B -CH$LINK: PUBCHEM SID:4752 +CH$LINK: PUBCHEM CID:896 CH$LINK: INCHIKEY DRLFMBDRBRZALE-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID1022421 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO001411.txt b/Keio_Univ/MSBNK-Keio_Univ-KO001411.txt index 354c697bf8d..826c1abd63e 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO001411.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO001411.txt @@ -15,7 +15,7 @@ CH$LINK: CAS 73-31-4 CH$LINK: CHEBI CHEBI:16796 CH$LINK: KEGG C01598 CH$LINK: NIKKAJI J5.258B -CH$LINK: PUBCHEM SID:4752 +CH$LINK: PUBCHEM CID:896 CH$LINK: INCHIKEY DRLFMBDRBRZALE-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID1022421 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO001412.txt b/Keio_Univ/MSBNK-Keio_Univ-KO001412.txt index ad9c3742267..456d14defeb 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO001412.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO001412.txt @@ -15,7 +15,7 @@ CH$LINK: CAS 50-44-2 CH$LINK: CHEBI CHEBI:2208 CH$LINK: KEGG C02380 CH$LINK: NIKKAJI J2.298E -CH$LINK: PUBCHEM SID:5422 +CH$LINK: PUBCHEM CID:667490 CH$LINK: INCHIKEY GLVAUDGFNGKCSF-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID0020810 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO001413.txt b/Keio_Univ/MSBNK-Keio_Univ-KO001413.txt index 429bab22036..670a40d1c06 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO001413.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO001413.txt @@ -15,7 +15,7 @@ CH$LINK: CAS 50-44-2 CH$LINK: CHEBI CHEBI:2208 CH$LINK: KEGG C02380 CH$LINK: NIKKAJI J2.298E -CH$LINK: PUBCHEM SID:5422 +CH$LINK: PUBCHEM CID:667490 CH$LINK: INCHIKEY GLVAUDGFNGKCSF-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID0020810 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO001414.txt b/Keio_Univ/MSBNK-Keio_Univ-KO001414.txt index 5fb8a41217c..7ce843c2b1c 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO001414.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO001414.txt @@ -15,7 +15,7 @@ CH$LINK: CAS 50-44-2 CH$LINK: CHEBI CHEBI:2208 CH$LINK: KEGG C02380 CH$LINK: NIKKAJI J2.298E -CH$LINK: PUBCHEM SID:5422 +CH$LINK: PUBCHEM CID:667490 CH$LINK: INCHIKEY GLVAUDGFNGKCSF-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID0020810 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO001415.txt b/Keio_Univ/MSBNK-Keio_Univ-KO001415.txt index c44ff1648c2..9c877799215 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO001415.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO001415.txt @@ -15,7 +15,7 @@ CH$LINK: CAS 50-44-2 CH$LINK: CHEBI CHEBI:2208 CH$LINK: KEGG C02380 CH$LINK: NIKKAJI J2.298E -CH$LINK: PUBCHEM SID:5422 +CH$LINK: PUBCHEM CID:667490 CH$LINK: INCHIKEY GLVAUDGFNGKCSF-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID0020810 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO001416.txt b/Keio_Univ/MSBNK-Keio_Univ-KO001416.txt index 69dd5755597..6cb26fc9630 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO001416.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO001416.txt @@ -15,7 +15,7 @@ CH$LINK: CAS 50-44-2 CH$LINK: CHEBI CHEBI:2208 CH$LINK: KEGG C02380 CH$LINK: NIKKAJI J2.298E -CH$LINK: PUBCHEM SID:5422 +CH$LINK: PUBCHEM CID:667490 CH$LINK: INCHIKEY GLVAUDGFNGKCSF-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID0020810 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO001417.txt b/Keio_Univ/MSBNK-Keio_Univ-KO001417.txt index 215dc1b187c..6943696f4c0 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO001417.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO001417.txt @@ -17,7 +17,7 @@ CH$LINK: CAS 90-64-2 611-72-3 CH$LINK: CHEBI CHEBI:32800 CH$LINK: CHEMPDB SMN CH$LINK: KEGG C01984 -CH$LINK: PUBCHEM SID:5081 +CH$LINK: PUBCHEM CID:439616 CH$LINK: INCHIKEY IWYDHOAUDWTVEP-ZETCQYMHSA-N AC$INSTRUMENT: API3000, Applied Biosystems AC$INSTRUMENT_TYPE: LC-ESI-QQ diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO001418.txt b/Keio_Univ/MSBNK-Keio_Univ-KO001418.txt index b7a2be99d58..6d61af0a955 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO001418.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO001418.txt @@ -17,7 +17,7 @@ CH$LINK: CAS 90-64-2 611-72-3 CH$LINK: CHEBI CHEBI:32800 CH$LINK: CHEMPDB SMN CH$LINK: KEGG C01984 -CH$LINK: PUBCHEM SID:5081 +CH$LINK: PUBCHEM CID:439616 CH$LINK: INCHIKEY IWYDHOAUDWTVEP-ZETCQYMHSA-N AC$INSTRUMENT: API3000, Applied Biosystems AC$INSTRUMENT_TYPE: LC-ESI-QQ diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO001419.txt b/Keio_Univ/MSBNK-Keio_Univ-KO001419.txt index db651e44527..f7fbec0e42f 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO001419.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO001419.txt @@ -17,7 +17,7 @@ CH$LINK: CAS 90-64-2 611-72-3 CH$LINK: CHEBI CHEBI:32800 CH$LINK: CHEMPDB SMN CH$LINK: KEGG C01984 -CH$LINK: PUBCHEM SID:5081 +CH$LINK: PUBCHEM CID:439616 CH$LINK: INCHIKEY IWYDHOAUDWTVEP-ZETCQYMHSA-N AC$INSTRUMENT: API3000, Applied Biosystems AC$INSTRUMENT_TYPE: LC-ESI-QQ diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO001420.txt b/Keio_Univ/MSBNK-Keio_Univ-KO001420.txt index 28ff788d8d7..0d872a6865a 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO001420.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO001420.txt @@ -17,7 +17,7 @@ CH$LINK: CAS 90-64-2 611-72-3 CH$LINK: CHEBI CHEBI:32800 CH$LINK: CHEMPDB SMN CH$LINK: KEGG C01984 -CH$LINK: PUBCHEM SID:5081 +CH$LINK: PUBCHEM CID:439616 CH$LINK: INCHIKEY IWYDHOAUDWTVEP-ZETCQYMHSA-N AC$INSTRUMENT: API3000, Applied Biosystems AC$INSTRUMENT_TYPE: LC-ESI-QQ diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO001421.txt b/Keio_Univ/MSBNK-Keio_Univ-KO001421.txt index 57cd0bceb94..4dfce79db4a 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO001421.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO001421.txt @@ -17,7 +17,7 @@ CH$LINK: CAS 90-64-2 611-72-3 CH$LINK: CHEBI CHEBI:32800 CH$LINK: CHEMPDB SMN CH$LINK: KEGG C01984 -CH$LINK: PUBCHEM SID:5081 +CH$LINK: PUBCHEM CID:439616 CH$LINK: INCHIKEY IWYDHOAUDWTVEP-ZETCQYMHSA-N AC$INSTRUMENT: API3000, Applied Biosystems AC$INSTRUMENT_TYPE: LC-ESI-QQ diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO001422.txt b/Keio_Univ/MSBNK-Keio_Univ-KO001422.txt index 77d2fbe1dfb..281d7464320 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO001422.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO001422.txt @@ -15,7 +15,7 @@ CH$LINK: CAS 75-93-4 CH$LINK: CHEBI CHEBI:17760 CH$LINK: KEGG C02704 CH$LINK: NIKKAJI J1.470B -CH$LINK: PUBCHEM SID:5667 +CH$LINK: PUBCHEM CID:6412 CH$LINK: INCHIKEY JZMJDSHXVKJFKW-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID2047983 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO001423.txt b/Keio_Univ/MSBNK-Keio_Univ-KO001423.txt index abea9f1ee3f..88d67122302 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO001423.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO001423.txt @@ -15,7 +15,7 @@ CH$LINK: CAS 75-93-4 CH$LINK: CHEBI CHEBI:17760 CH$LINK: KEGG C02704 CH$LINK: NIKKAJI J1.470B -CH$LINK: PUBCHEM SID:5667 +CH$LINK: PUBCHEM CID:6412 CH$LINK: INCHIKEY JZMJDSHXVKJFKW-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID2047983 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO001424.txt b/Keio_Univ/MSBNK-Keio_Univ-KO001424.txt index dd9bed6a821..b30f39ca014 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO001424.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO001424.txt @@ -15,7 +15,7 @@ CH$LINK: CAS 75-93-4 CH$LINK: CHEBI CHEBI:17760 CH$LINK: KEGG C02704 CH$LINK: NIKKAJI J1.470B -CH$LINK: PUBCHEM SID:5667 +CH$LINK: PUBCHEM CID:6412 CH$LINK: INCHIKEY JZMJDSHXVKJFKW-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID2047983 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO001425.txt b/Keio_Univ/MSBNK-Keio_Univ-KO001425.txt index e23d8c15624..7cf390bbcf0 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO001425.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO001425.txt @@ -15,7 +15,7 @@ CH$LINK: CAS 75-93-4 CH$LINK: CHEBI CHEBI:17760 CH$LINK: KEGG C02704 CH$LINK: NIKKAJI J1.470B -CH$LINK: PUBCHEM SID:5667 +CH$LINK: PUBCHEM CID:6412 CH$LINK: INCHIKEY JZMJDSHXVKJFKW-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID2047983 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO001426.txt b/Keio_Univ/MSBNK-Keio_Univ-KO001426.txt index 1c94ff8a624..2cda0269f64 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO001426.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO001426.txt @@ -15,7 +15,7 @@ CH$LINK: CAS 75-93-4 CH$LINK: CHEBI CHEBI:17760 CH$LINK: KEGG C02704 CH$LINK: NIKKAJI J1.470B -CH$LINK: PUBCHEM SID:5667 +CH$LINK: PUBCHEM CID:6412 CH$LINK: INCHIKEY JZMJDSHXVKJFKW-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID2047983 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO001432.txt b/Keio_Univ/MSBNK-Keio_Univ-KO001432.txt index 0435c74669b..2567f60d333 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO001432.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO001432.txt @@ -15,7 +15,7 @@ CH$SMILES: CN[C@@H](CCC(O)=O)C(O)=O CH$IUPAC: InChI=1S/C6H11NO4/c1-7-4(6(10)11)2-3-5(8)9/h4,7H,2-3H2,1H3,(H,8,9)(H,10,11)/t4-/m0/s1 CH$LINK: CHEBI CHEBI:16440 CH$LINK: KEGG C01046 -CH$LINK: PUBCHEM SID:4288 +CH$LINK: PUBCHEM CID:439377 CH$LINK: INCHIKEY XLBVNMSMFQMKEY-BYPYZUCNSA-N AC$INSTRUMENT: API3000, Applied Biosystems AC$INSTRUMENT_TYPE: LC-ESI-QQ diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO001433.txt b/Keio_Univ/MSBNK-Keio_Univ-KO001433.txt index ac3c530be4d..c146b9867a9 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO001433.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO001433.txt @@ -15,7 +15,7 @@ CH$SMILES: CN[C@@H](CCC(O)=O)C(O)=O CH$IUPAC: InChI=1S/C6H11NO4/c1-7-4(6(10)11)2-3-5(8)9/h4,7H,2-3H2,1H3,(H,8,9)(H,10,11)/t4-/m0/s1 CH$LINK: CHEBI CHEBI:16440 CH$LINK: KEGG C01046 -CH$LINK: PUBCHEM SID:4288 +CH$LINK: PUBCHEM CID:439377 CH$LINK: INCHIKEY XLBVNMSMFQMKEY-BYPYZUCNSA-N AC$INSTRUMENT: API3000, Applied Biosystems AC$INSTRUMENT_TYPE: LC-ESI-QQ diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO001434.txt b/Keio_Univ/MSBNK-Keio_Univ-KO001434.txt index 87eaf1e8d3b..f85405a17b6 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO001434.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO001434.txt @@ -15,7 +15,7 @@ CH$SMILES: CN[C@@H](CCC(O)=O)C(O)=O CH$IUPAC: InChI=1S/C6H11NO4/c1-7-4(6(10)11)2-3-5(8)9/h4,7H,2-3H2,1H3,(H,8,9)(H,10,11)/t4-/m0/s1 CH$LINK: CHEBI CHEBI:16440 CH$LINK: KEGG C01046 -CH$LINK: PUBCHEM SID:4288 +CH$LINK: PUBCHEM CID:439377 CH$LINK: INCHIKEY XLBVNMSMFQMKEY-BYPYZUCNSA-N AC$INSTRUMENT: API3000, Applied Biosystems AC$INSTRUMENT_TYPE: LC-ESI-QQ diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO001435.txt b/Keio_Univ/MSBNK-Keio_Univ-KO001435.txt index 9cc28d47be1..7dfebb97268 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO001435.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO001435.txt @@ -15,7 +15,7 @@ CH$SMILES: CN[C@@H](CCC(O)=O)C(O)=O CH$IUPAC: InChI=1S/C6H11NO4/c1-7-4(6(10)11)2-3-5(8)9/h4,7H,2-3H2,1H3,(H,8,9)(H,10,11)/t4-/m0/s1 CH$LINK: CHEBI CHEBI:16440 CH$LINK: KEGG C01046 -CH$LINK: PUBCHEM SID:4288 +CH$LINK: PUBCHEM CID:439377 CH$LINK: INCHIKEY XLBVNMSMFQMKEY-BYPYZUCNSA-N AC$INSTRUMENT: API3000, Applied Biosystems AC$INSTRUMENT_TYPE: LC-ESI-QQ diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO001436.txt b/Keio_Univ/MSBNK-Keio_Univ-KO001436.txt index 76b77d71c5f..19213e42d33 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO001436.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO001436.txt @@ -15,7 +15,7 @@ CH$SMILES: CN[C@@H](CCC(O)=O)C(O)=O CH$IUPAC: InChI=1S/C6H11NO4/c1-7-4(6(10)11)2-3-5(8)9/h4,7H,2-3H2,1H3,(H,8,9)(H,10,11)/t4-/m0/s1 CH$LINK: CHEBI CHEBI:16440 CH$LINK: KEGG C01046 -CH$LINK: PUBCHEM SID:4288 +CH$LINK: PUBCHEM CID:439377 CH$LINK: INCHIKEY XLBVNMSMFQMKEY-BYPYZUCNSA-N AC$INSTRUMENT: API3000, Applied Biosystems AC$INSTRUMENT_TYPE: LC-ESI-QQ diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO001437.txt b/Keio_Univ/MSBNK-Keio_Univ-KO001437.txt index df97a5c0ee9..e83409c5488 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO001437.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO001437.txt @@ -18,7 +18,7 @@ CH$LINK: CAS 611-71-2 CH$LINK: CHEBI CHEBI:32382 CH$LINK: KEGG C01983 CH$LINK: NIKKAJI J43.326H -CH$LINK: PUBCHEM SID:5080 +CH$LINK: PUBCHEM CID:11914 CH$LINK: INCHIKEY IWYDHOAUDWTVEP-SSDOTTSWSA-N CH$LINK: COMPTOX DTXSID4046523 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO001438.txt b/Keio_Univ/MSBNK-Keio_Univ-KO001438.txt index 95569bde841..fe5f67164d6 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO001438.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO001438.txt @@ -18,7 +18,7 @@ CH$LINK: CAS 611-71-2 CH$LINK: CHEBI CHEBI:32382 CH$LINK: KEGG C01983 CH$LINK: NIKKAJI J43.326H -CH$LINK: PUBCHEM SID:5080 +CH$LINK: PUBCHEM CID:11914 CH$LINK: INCHIKEY IWYDHOAUDWTVEP-SSDOTTSWSA-N CH$LINK: COMPTOX DTXSID4046523 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO001439.txt b/Keio_Univ/MSBNK-Keio_Univ-KO001439.txt index 2edf01b4321..426adc9c029 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO001439.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO001439.txt @@ -18,7 +18,7 @@ CH$LINK: CAS 611-71-2 CH$LINK: CHEBI CHEBI:32382 CH$LINK: KEGG C01983 CH$LINK: NIKKAJI J43.326H -CH$LINK: PUBCHEM SID:5080 +CH$LINK: PUBCHEM CID:11914 CH$LINK: INCHIKEY IWYDHOAUDWTVEP-SSDOTTSWSA-N CH$LINK: COMPTOX DTXSID4046523 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO001440.txt b/Keio_Univ/MSBNK-Keio_Univ-KO001440.txt index 3693affd35e..6d45b50dc61 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO001440.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO001440.txt @@ -18,7 +18,7 @@ CH$LINK: CAS 611-71-2 CH$LINK: CHEBI CHEBI:32382 CH$LINK: KEGG C01983 CH$LINK: NIKKAJI J43.326H -CH$LINK: PUBCHEM SID:5080 +CH$LINK: PUBCHEM CID:11914 CH$LINK: INCHIKEY IWYDHOAUDWTVEP-SSDOTTSWSA-N CH$LINK: COMPTOX DTXSID4046523 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO001441.txt b/Keio_Univ/MSBNK-Keio_Univ-KO001441.txt index cb907804b5c..52579dda14c 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO001441.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO001441.txt @@ -18,7 +18,7 @@ CH$LINK: CAS 611-71-2 CH$LINK: CHEBI CHEBI:32382 CH$LINK: KEGG C01983 CH$LINK: NIKKAJI J43.326H -CH$LINK: PUBCHEM SID:5080 +CH$LINK: PUBCHEM CID:11914 CH$LINK: INCHIKEY IWYDHOAUDWTVEP-SSDOTTSWSA-N CH$LINK: COMPTOX DTXSID4046523 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO001442.txt b/Keio_Univ/MSBNK-Keio_Univ-KO001442.txt index 2c3e0748b2a..5f8de6943eb 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO001442.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO001442.txt @@ -14,7 +14,7 @@ CH$IUPAC: InChI=1S/C6H7N5/c1-7-5-4-6(10-2-8-4)11-3-9-5/h2-3H,1H3,(H2,7,8,9,10,11 CH$LINK: CAS 443-72-1 CH$LINK: KEGG C08434 CH$LINK: NIKKAJI J128.125I -CH$LINK: PUBCHEM SID:10629 +CH$LINK: PUBCHEM CID:67955 CH$LINK: INCHIKEY CKOMXBHMKXXTNW-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID1020857 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO001443.txt b/Keio_Univ/MSBNK-Keio_Univ-KO001443.txt index 3ddbdf6819f..1f6d7d32c72 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO001443.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO001443.txt @@ -14,7 +14,7 @@ CH$IUPAC: InChI=1S/C6H7N5/c1-7-5-4-6(10-2-8-4)11-3-9-5/h2-3H,1H3,(H2,7,8,9,10,11 CH$LINK: CAS 443-72-1 CH$LINK: KEGG C08434 CH$LINK: NIKKAJI J128.125I -CH$LINK: PUBCHEM SID:10629 +CH$LINK: PUBCHEM CID:67955 CH$LINK: INCHIKEY CKOMXBHMKXXTNW-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID1020857 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO001444.txt b/Keio_Univ/MSBNK-Keio_Univ-KO001444.txt index b0f1c006f71..de97e86d610 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO001444.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO001444.txt @@ -14,7 +14,7 @@ CH$IUPAC: InChI=1S/C6H7N5/c1-7-5-4-6(10-2-8-4)11-3-9-5/h2-3H,1H3,(H2,7,8,9,10,11 CH$LINK: CAS 443-72-1 CH$LINK: KEGG C08434 CH$LINK: NIKKAJI J128.125I -CH$LINK: PUBCHEM SID:10629 +CH$LINK: PUBCHEM CID:67955 CH$LINK: INCHIKEY CKOMXBHMKXXTNW-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID1020857 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO001445.txt b/Keio_Univ/MSBNK-Keio_Univ-KO001445.txt index 8298061e445..65c813da726 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO001445.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO001445.txt @@ -14,7 +14,7 @@ CH$IUPAC: InChI=1S/C6H7N5/c1-7-5-4-6(10-2-8-4)11-3-9-5/h2-3H,1H3,(H2,7,8,9,10,11 CH$LINK: CAS 443-72-1 CH$LINK: KEGG C08434 CH$LINK: NIKKAJI J128.125I -CH$LINK: PUBCHEM SID:10629 +CH$LINK: PUBCHEM CID:67955 CH$LINK: INCHIKEY CKOMXBHMKXXTNW-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID1020857 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO001446.txt b/Keio_Univ/MSBNK-Keio_Univ-KO001446.txt index 1382d340bc7..31bf2265ccc 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO001446.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO001446.txt @@ -14,7 +14,7 @@ CH$IUPAC: InChI=1S/C6H7N5/c1-7-5-4-6(10-2-8-4)11-3-9-5/h2-3H,1H3,(H2,7,8,9,10,11 CH$LINK: CAS 443-72-1 CH$LINK: KEGG C08434 CH$LINK: NIKKAJI J128.125I -CH$LINK: PUBCHEM SID:10629 +CH$LINK: PUBCHEM CID:67955 CH$LINK: INCHIKEY CKOMXBHMKXXTNW-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID1020857 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO001452.txt b/Keio_Univ/MSBNK-Keio_Univ-KO001452.txt index c29f3eaff0b..824ed2b7d29 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO001452.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO001452.txt @@ -13,7 +13,7 @@ CH$EXACT_MASS: 205.07389 CH$SMILES: COC1=CC2=C(C=C1)NC=C2CC(=O)O CH$IUPAC: InChI=1S/C11H11NO3/c1-15-8-2-3-10-9(5-8)7(6-12-10)4-11(13)14/h2-3,5-6,12H,4H2,1H3,(H,13,14) CH$LINK: KEGG C05660 -CH$LINK: PUBCHEM SID:7971 +CH$LINK: PUBCHEM CID:18986 CH$LINK: INCHIKEY COCNDHOPIHDTHK-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID70188268 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO001453.txt b/Keio_Univ/MSBNK-Keio_Univ-KO001453.txt index 3d6c3ec8b49..4a7519d8d51 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO001453.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO001453.txt @@ -13,7 +13,7 @@ CH$EXACT_MASS: 205.07389 CH$SMILES: COC1=CC2=C(C=C1)NC=C2CC(=O)O CH$IUPAC: InChI=1S/C11H11NO3/c1-15-8-2-3-10-9(5-8)7(6-12-10)4-11(13)14/h2-3,5-6,12H,4H2,1H3,(H,13,14) CH$LINK: KEGG C05660 -CH$LINK: PUBCHEM SID:7971 +CH$LINK: PUBCHEM CID:18986 CH$LINK: INCHIKEY COCNDHOPIHDTHK-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID70188268 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO001454.txt b/Keio_Univ/MSBNK-Keio_Univ-KO001454.txt index 4756e24cb38..3eca60f1a84 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO001454.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO001454.txt @@ -13,7 +13,7 @@ CH$EXACT_MASS: 205.07389 CH$SMILES: COC1=CC2=C(C=C1)NC=C2CC(=O)O CH$IUPAC: InChI=1S/C11H11NO3/c1-15-8-2-3-10-9(5-8)7(6-12-10)4-11(13)14/h2-3,5-6,12H,4H2,1H3,(H,13,14) CH$LINK: KEGG C05660 -CH$LINK: PUBCHEM SID:7971 +CH$LINK: PUBCHEM CID:18986 CH$LINK: INCHIKEY COCNDHOPIHDTHK-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID70188268 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO001455.txt b/Keio_Univ/MSBNK-Keio_Univ-KO001455.txt index 441459a8db3..3ab642664c5 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO001455.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO001455.txt @@ -13,7 +13,7 @@ CH$EXACT_MASS: 205.07389 CH$SMILES: COC1=CC2=C(C=C1)NC=C2CC(=O)O CH$IUPAC: InChI=1S/C11H11NO3/c1-15-8-2-3-10-9(5-8)7(6-12-10)4-11(13)14/h2-3,5-6,12H,4H2,1H3,(H,13,14) CH$LINK: KEGG C05660 -CH$LINK: PUBCHEM SID:7971 +CH$LINK: PUBCHEM CID:18986 CH$LINK: INCHIKEY COCNDHOPIHDTHK-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID70188268 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO001456.txt b/Keio_Univ/MSBNK-Keio_Univ-KO001456.txt index 2496cafa47a..93e6b451a7a 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO001456.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO001456.txt @@ -13,7 +13,7 @@ CH$EXACT_MASS: 205.07389 CH$SMILES: COC1=CC2=C(C=C1)NC=C2CC(=O)O CH$IUPAC: InChI=1S/C11H11NO3/c1-15-8-2-3-10-9(5-8)7(6-12-10)4-11(13)14/h2-3,5-6,12H,4H2,1H3,(H,13,14) CH$LINK: KEGG C05660 -CH$LINK: PUBCHEM SID:7971 +CH$LINK: PUBCHEM CID:18986 CH$LINK: INCHIKEY COCNDHOPIHDTHK-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID70188268 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO001462.txt b/Keio_Univ/MSBNK-Keio_Univ-KO001462.txt index ab4027aa32f..b846fb3bcd0 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO001462.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO001462.txt @@ -14,7 +14,7 @@ CH$IUPAC: InChI=1S/C15H15NO2/c1-10-6-5-9-13(11(10)2)16-14-8-4-3-7-12(14)15(17)18 CH$LINK: CAS 61-68-7 CH$LINK: KEGG C02168 CH$LINK: NIKKAJI J2.344B -CH$LINK: PUBCHEM SID:5243 +CH$LINK: PUBCHEM CID:4044 CH$LINK: INCHIKEY HYYBABOKPJLUIN-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID5023243 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO001463.txt b/Keio_Univ/MSBNK-Keio_Univ-KO001463.txt index f3cd3160808..0901e0258f1 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO001463.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO001463.txt @@ -14,7 +14,7 @@ CH$IUPAC: InChI=1S/C15H15NO2/c1-10-6-5-9-13(11(10)2)16-14-8-4-3-7-12(14)15(17)18 CH$LINK: CAS 61-68-7 CH$LINK: KEGG C02168 CH$LINK: NIKKAJI J2.344B -CH$LINK: PUBCHEM SID:5243 +CH$LINK: PUBCHEM CID:4044 CH$LINK: INCHIKEY HYYBABOKPJLUIN-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID5023243 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO001464.txt b/Keio_Univ/MSBNK-Keio_Univ-KO001464.txt index 458ff002e3e..6d695d3ef8a 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO001464.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO001464.txt @@ -14,7 +14,7 @@ CH$IUPAC: InChI=1S/C15H15NO2/c1-10-6-5-9-13(11(10)2)16-14-8-4-3-7-12(14)15(17)18 CH$LINK: CAS 61-68-7 CH$LINK: KEGG C02168 CH$LINK: NIKKAJI J2.344B -CH$LINK: PUBCHEM SID:5243 +CH$LINK: PUBCHEM CID:4044 CH$LINK: INCHIKEY HYYBABOKPJLUIN-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID5023243 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO001465.txt b/Keio_Univ/MSBNK-Keio_Univ-KO001465.txt index e89b8ef1fff..db7acf9f711 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO001465.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO001465.txt @@ -14,7 +14,7 @@ CH$IUPAC: InChI=1S/C15H15NO2/c1-10-6-5-9-13(11(10)2)16-14-8-4-3-7-12(14)15(17)18 CH$LINK: CAS 61-68-7 CH$LINK: KEGG C02168 CH$LINK: NIKKAJI J2.344B -CH$LINK: PUBCHEM SID:5243 +CH$LINK: PUBCHEM CID:4044 CH$LINK: INCHIKEY HYYBABOKPJLUIN-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID5023243 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO001466.txt b/Keio_Univ/MSBNK-Keio_Univ-KO001466.txt index 88f3ca8d1aa..233da68d09c 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO001466.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO001466.txt @@ -14,7 +14,7 @@ CH$IUPAC: InChI=1S/C15H15NO2/c1-10-6-5-9-13(11(10)2)16-14-8-4-3-7-12(14)15(17)18 CH$LINK: CAS 61-68-7 CH$LINK: KEGG C02168 CH$LINK: NIKKAJI J2.344B -CH$LINK: PUBCHEM SID:5243 +CH$LINK: PUBCHEM CID:4044 CH$LINK: INCHIKEY HYYBABOKPJLUIN-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID5023243 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO001472.txt b/Keio_Univ/MSBNK-Keio_Univ-KO001472.txt index 577083e9152..09d52e01f1e 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO001472.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO001472.txt @@ -17,7 +17,7 @@ CH$LINK: CAS 505-70-4 CH$LINK: CHEBI CHEBI:16508 CH$LINK: KEGG C02480 CH$LINK: NIKKAJI J73.682A -CH$LINK: PUBCHEM SID:5495 +CH$LINK: PUBCHEM CID:5280518 CH$LINK: INCHIKEY TXXHDPDFNKHHGW-CCAGOZQPSA-N AC$INSTRUMENT: API3000, Applied Biosystems AC$INSTRUMENT_TYPE: LC-ESI-QQ diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO001473.txt b/Keio_Univ/MSBNK-Keio_Univ-KO001473.txt index 23ae6130a10..c2043c91289 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO001473.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO001473.txt @@ -17,7 +17,7 @@ CH$LINK: CAS 505-70-4 CH$LINK: CHEBI CHEBI:16508 CH$LINK: KEGG C02480 CH$LINK: NIKKAJI J73.682A -CH$LINK: PUBCHEM SID:5495 +CH$LINK: PUBCHEM CID:5280518 CH$LINK: INCHIKEY TXXHDPDFNKHHGW-CCAGOZQPSA-N AC$INSTRUMENT: API3000, Applied Biosystems AC$INSTRUMENT_TYPE: LC-ESI-QQ diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO001474.txt b/Keio_Univ/MSBNK-Keio_Univ-KO001474.txt index 98921416161..02211d82bd8 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO001474.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO001474.txt @@ -17,7 +17,7 @@ CH$LINK: CAS 505-70-4 CH$LINK: CHEBI CHEBI:16508 CH$LINK: KEGG C02480 CH$LINK: NIKKAJI J73.682A -CH$LINK: PUBCHEM SID:5495 +CH$LINK: PUBCHEM CID:5280518 CH$LINK: INCHIKEY TXXHDPDFNKHHGW-CCAGOZQPSA-N AC$INSTRUMENT: API3000, Applied Biosystems AC$INSTRUMENT_TYPE: LC-ESI-QQ diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO001475.txt b/Keio_Univ/MSBNK-Keio_Univ-KO001475.txt index c8966062c5f..98af84190a5 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO001475.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO001475.txt @@ -17,7 +17,7 @@ CH$LINK: CAS 505-70-4 CH$LINK: CHEBI CHEBI:16508 CH$LINK: KEGG C02480 CH$LINK: NIKKAJI J73.682A -CH$LINK: PUBCHEM SID:5495 +CH$LINK: PUBCHEM CID:5280518 CH$LINK: INCHIKEY TXXHDPDFNKHHGW-CCAGOZQPSA-N AC$INSTRUMENT: API3000, Applied Biosystems AC$INSTRUMENT_TYPE: LC-ESI-QQ diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO001476.txt b/Keio_Univ/MSBNK-Keio_Univ-KO001476.txt index bc933907f39..2c54c667e69 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO001476.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO001476.txt @@ -17,7 +17,7 @@ CH$LINK: CAS 505-70-4 CH$LINK: CHEBI CHEBI:16508 CH$LINK: KEGG C02480 CH$LINK: NIKKAJI J73.682A -CH$LINK: PUBCHEM SID:5495 +CH$LINK: PUBCHEM CID:5280518 CH$LINK: INCHIKEY TXXHDPDFNKHHGW-CCAGOZQPSA-N AC$INSTRUMENT: API3000, Applied Biosystems AC$INSTRUMENT_TYPE: LC-ESI-QQ diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO001482.txt b/Keio_Univ/MSBNK-Keio_Univ-KO001482.txt index 5ea57f11739..081f396d84d 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO001482.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO001482.txt @@ -16,7 +16,7 @@ CH$LINK: CAS 119-68-6 CH$LINK: CHEBI CHEBI:16394 CH$LINK: KEGG C03005 CH$LINK: NIKKAJI J5.315E -CH$LINK: PUBCHEM SID:5914 +CH$LINK: PUBCHEM CID:67069 CH$LINK: INCHIKEY WVMBPWMAQDVZCM-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID6059491 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO001483.txt b/Keio_Univ/MSBNK-Keio_Univ-KO001483.txt index a188926f4c2..8fe812f38a6 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO001483.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO001483.txt @@ -16,7 +16,7 @@ CH$LINK: CAS 119-68-6 CH$LINK: CHEBI CHEBI:16394 CH$LINK: KEGG C03005 CH$LINK: NIKKAJI J5.315E -CH$LINK: PUBCHEM SID:5914 +CH$LINK: PUBCHEM CID:67069 CH$LINK: INCHIKEY WVMBPWMAQDVZCM-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID6059491 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO001484.txt b/Keio_Univ/MSBNK-Keio_Univ-KO001484.txt index 150145f3bd6..c8f16c7976c 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO001484.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO001484.txt @@ -16,7 +16,7 @@ CH$LINK: CAS 119-68-6 CH$LINK: CHEBI CHEBI:16394 CH$LINK: KEGG C03005 CH$LINK: NIKKAJI J5.315E -CH$LINK: PUBCHEM SID:5914 +CH$LINK: PUBCHEM CID:67069 CH$LINK: INCHIKEY WVMBPWMAQDVZCM-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID6059491 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO001485.txt b/Keio_Univ/MSBNK-Keio_Univ-KO001485.txt index 1340d87785a..2c9c5e78b3a 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO001485.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO001485.txt @@ -16,7 +16,7 @@ CH$LINK: CAS 119-68-6 CH$LINK: CHEBI CHEBI:16394 CH$LINK: KEGG C03005 CH$LINK: NIKKAJI J5.315E -CH$LINK: PUBCHEM SID:5914 +CH$LINK: PUBCHEM CID:67069 CH$LINK: INCHIKEY WVMBPWMAQDVZCM-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID6059491 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO001486.txt b/Keio_Univ/MSBNK-Keio_Univ-KO001486.txt index 4b83baf6416..7a7c41ce54e 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO001486.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO001486.txt @@ -16,7 +16,7 @@ CH$LINK: CAS 119-68-6 CH$LINK: CHEBI CHEBI:16394 CH$LINK: KEGG C03005 CH$LINK: NIKKAJI J5.315E -CH$LINK: PUBCHEM SID:5914 +CH$LINK: PUBCHEM CID:67069 CH$LINK: INCHIKEY WVMBPWMAQDVZCM-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID6059491 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO001487.txt b/Keio_Univ/MSBNK-Keio_Univ-KO001487.txt index 635d3f85117..00ef9916d43 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO001487.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO001487.txt @@ -14,7 +14,7 @@ CH$IUPAC: InChI=1S/CH4O3S/c1-5(2,3)4/h1H3,(H,2,3,4) CH$LINK: CAS 75-75-2 CH$LINK: KEGG C11145 CH$LINK: NIKKAJI J1.465F -CH$LINK: PUBCHEM SID:13327 +CH$LINK: PUBCHEM CID:6395 CH$LINK: INCHIKEY AFVFQIVMOAPDHO-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID4026422 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO001488.txt b/Keio_Univ/MSBNK-Keio_Univ-KO001488.txt index e41f33a19fc..51cbc7d943f 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO001488.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO001488.txt @@ -14,7 +14,7 @@ CH$IUPAC: InChI=1S/CH4O3S/c1-5(2,3)4/h1H3,(H,2,3,4) CH$LINK: CAS 75-75-2 CH$LINK: KEGG C11145 CH$LINK: NIKKAJI J1.465F -CH$LINK: PUBCHEM SID:13327 +CH$LINK: PUBCHEM CID:6395 CH$LINK: INCHIKEY AFVFQIVMOAPDHO-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID4026422 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO001489.txt b/Keio_Univ/MSBNK-Keio_Univ-KO001489.txt index f66bd1cacb9..0e9028a5748 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO001489.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO001489.txt @@ -14,7 +14,7 @@ CH$IUPAC: InChI=1S/CH4O3S/c1-5(2,3)4/h1H3,(H,2,3,4) CH$LINK: CAS 75-75-2 CH$LINK: KEGG C11145 CH$LINK: NIKKAJI J1.465F -CH$LINK: PUBCHEM SID:13327 +CH$LINK: PUBCHEM CID:6395 CH$LINK: INCHIKEY AFVFQIVMOAPDHO-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID4026422 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO001490.txt b/Keio_Univ/MSBNK-Keio_Univ-KO001490.txt index 2dececf47fb..0a90ad7602e 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO001490.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO001490.txt @@ -14,7 +14,7 @@ CH$IUPAC: InChI=1S/CH4O3S/c1-5(2,3)4/h1H3,(H,2,3,4) CH$LINK: CAS 75-75-2 CH$LINK: KEGG C11145 CH$LINK: NIKKAJI J1.465F -CH$LINK: PUBCHEM SID:13327 +CH$LINK: PUBCHEM CID:6395 CH$LINK: INCHIKEY AFVFQIVMOAPDHO-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID4026422 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO001491.txt b/Keio_Univ/MSBNK-Keio_Univ-KO001491.txt index 36894117072..452b1470045 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO001491.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO001491.txt @@ -14,7 +14,7 @@ CH$IUPAC: InChI=1S/CH4O3S/c1-5(2,3)4/h1H3,(H,2,3,4) CH$LINK: CAS 75-75-2 CH$LINK: KEGG C11145 CH$LINK: NIKKAJI J1.465F -CH$LINK: PUBCHEM SID:13327 +CH$LINK: PUBCHEM CID:6395 CH$LINK: INCHIKEY AFVFQIVMOAPDHO-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID4026422 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO001502.txt b/Keio_Univ/MSBNK-Keio_Univ-KO001502.txt index 297e07ebc3e..2da88d89d27 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO001502.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO001502.txt @@ -18,7 +18,7 @@ CH$LINK: CHEBI CHEBI:15940 CH$LINK: CHEMPDB NIO CH$LINK: KEGG C00253 CH$LINK: NIKKAJI J2.809F -CH$LINK: PUBCHEM SID:3552 +CH$LINK: PUBCHEM CID:938 CH$LINK: INCHIKEY PVNIIMVLHYAWGP-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID1020932 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO001503.txt b/Keio_Univ/MSBNK-Keio_Univ-KO001503.txt index c52c9e392a4..21f83efc538 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO001503.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO001503.txt @@ -18,7 +18,7 @@ CH$LINK: CHEBI CHEBI:15940 CH$LINK: CHEMPDB NIO CH$LINK: KEGG C00253 CH$LINK: NIKKAJI J2.809F -CH$LINK: PUBCHEM SID:3552 +CH$LINK: PUBCHEM CID:938 CH$LINK: INCHIKEY PVNIIMVLHYAWGP-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID1020932 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO001504.txt b/Keio_Univ/MSBNK-Keio_Univ-KO001504.txt index af765863090..b24f8b99f0f 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO001504.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO001504.txt @@ -18,7 +18,7 @@ CH$LINK: CHEBI CHEBI:15940 CH$LINK: CHEMPDB NIO CH$LINK: KEGG C00253 CH$LINK: NIKKAJI J2.809F -CH$LINK: PUBCHEM SID:3552 +CH$LINK: PUBCHEM CID:938 CH$LINK: INCHIKEY PVNIIMVLHYAWGP-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID1020932 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO001505.txt b/Keio_Univ/MSBNK-Keio_Univ-KO001505.txt index 1552851d3bc..e79af07a502 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO001505.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO001505.txt @@ -18,7 +18,7 @@ CH$LINK: CHEBI CHEBI:15940 CH$LINK: CHEMPDB NIO CH$LINK: KEGG C00253 CH$LINK: NIKKAJI J2.809F -CH$LINK: PUBCHEM SID:3552 +CH$LINK: PUBCHEM CID:938 CH$LINK: INCHIKEY PVNIIMVLHYAWGP-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID1020932 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO001506.txt b/Keio_Univ/MSBNK-Keio_Univ-KO001506.txt index b5eca2f1d3d..d25b7047376 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO001506.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO001506.txt @@ -18,7 +18,7 @@ CH$LINK: CHEBI CHEBI:15940 CH$LINK: CHEMPDB NIO CH$LINK: KEGG C00253 CH$LINK: NIKKAJI J2.809F -CH$LINK: PUBCHEM SID:3552 +CH$LINK: PUBCHEM CID:938 CH$LINK: INCHIKEY PVNIIMVLHYAWGP-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID1020932 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO001507.txt b/Keio_Univ/MSBNK-Keio_Univ-KO001507.txt index 0ee933d2395..084857bebbd 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO001507.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO001507.txt @@ -18,7 +18,7 @@ CH$LINK: CAS 6600-40-4 CH$LINK: CHEBI CHEBI:18314 CH$LINK: KEGG C01826 CH$LINK: NIKKAJI J9.213D -CH$LINK: PUBCHEM SID:4949 +CH$LINK: PUBCHEM CID:65098 CH$LINK: INCHIKEY SNDPXSYFESPGGJ-BYPYZUCNSA-N AC$INSTRUMENT: API3000, Applied Biosystems AC$INSTRUMENT_TYPE: LC-ESI-QQ diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO001508.txt b/Keio_Univ/MSBNK-Keio_Univ-KO001508.txt index 2460c2e81ea..5f5cb26e24a 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO001508.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO001508.txt @@ -18,7 +18,7 @@ CH$LINK: CAS 6600-40-4 CH$LINK: CHEBI CHEBI:18314 CH$LINK: KEGG C01826 CH$LINK: NIKKAJI J9.213D -CH$LINK: PUBCHEM SID:4949 +CH$LINK: PUBCHEM CID:65098 CH$LINK: INCHIKEY SNDPXSYFESPGGJ-BYPYZUCNSA-N AC$INSTRUMENT: API3000, Applied Biosystems AC$INSTRUMENT_TYPE: LC-ESI-QQ diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO001509.txt b/Keio_Univ/MSBNK-Keio_Univ-KO001509.txt index 6881309f0ab..6afcfd0ecd6 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO001509.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO001509.txt @@ -18,7 +18,7 @@ CH$LINK: CAS 6600-40-4 CH$LINK: CHEBI CHEBI:18314 CH$LINK: KEGG C01826 CH$LINK: NIKKAJI J9.213D -CH$LINK: PUBCHEM SID:4949 +CH$LINK: PUBCHEM CID:65098 CH$LINK: INCHIKEY SNDPXSYFESPGGJ-BYPYZUCNSA-N AC$INSTRUMENT: API3000, Applied Biosystems AC$INSTRUMENT_TYPE: LC-ESI-QQ diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO001510.txt b/Keio_Univ/MSBNK-Keio_Univ-KO001510.txt index 0bef584a334..ae73ca1cd20 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO001510.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO001510.txt @@ -15,7 +15,7 @@ CH$LINK: CHEBI CHEBI:17440 CH$LINK: CHEMPDB 4NP CH$LINK: KEGG C03360 CH$LINK: NIKKAJI J32.922C -CH$LINK: PUBCHEM SID:6198 +CH$LINK: PUBCHEM CID:378 CH$LINK: INCHIKEY XZKIHKMTEMTJQX-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID60861876 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO001511.txt b/Keio_Univ/MSBNK-Keio_Univ-KO001511.txt index 4744117e2bc..4ba62552619 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO001511.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO001511.txt @@ -15,7 +15,7 @@ CH$LINK: CHEBI CHEBI:17440 CH$LINK: CHEMPDB 4NP CH$LINK: KEGG C03360 CH$LINK: NIKKAJI J32.922C -CH$LINK: PUBCHEM SID:6198 +CH$LINK: PUBCHEM CID:378 CH$LINK: INCHIKEY XZKIHKMTEMTJQX-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID60861876 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO001512.txt b/Keio_Univ/MSBNK-Keio_Univ-KO001512.txt index 692dbc7b0f4..79c41eb22cb 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO001512.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO001512.txt @@ -15,7 +15,7 @@ CH$LINK: CHEBI CHEBI:17440 CH$LINK: CHEMPDB 4NP CH$LINK: KEGG C03360 CH$LINK: NIKKAJI J32.922C -CH$LINK: PUBCHEM SID:6198 +CH$LINK: PUBCHEM CID:378 CH$LINK: INCHIKEY XZKIHKMTEMTJQX-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID60861876 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO001513.txt b/Keio_Univ/MSBNK-Keio_Univ-KO001513.txt index df08be27325..8ed67f8e2f4 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO001513.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO001513.txt @@ -15,7 +15,7 @@ CH$LINK: CHEBI CHEBI:17440 CH$LINK: CHEMPDB 4NP CH$LINK: KEGG C03360 CH$LINK: NIKKAJI J32.922C -CH$LINK: PUBCHEM SID:6198 +CH$LINK: PUBCHEM CID:378 CH$LINK: INCHIKEY XZKIHKMTEMTJQX-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID60861876 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO001514.txt b/Keio_Univ/MSBNK-Keio_Univ-KO001514.txt index 5a4a360c164..01e97574357 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO001514.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO001514.txt @@ -15,7 +15,7 @@ CH$LINK: CHEBI CHEBI:17440 CH$LINK: CHEMPDB 4NP CH$LINK: KEGG C03360 CH$LINK: NIKKAJI J32.922C -CH$LINK: PUBCHEM SID:6198 +CH$LINK: PUBCHEM CID:378 CH$LINK: INCHIKEY XZKIHKMTEMTJQX-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID60861876 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO001515.txt b/Keio_Univ/MSBNK-Keio_Univ-KO001515.txt index 3573f1ab30a..44b9686e1d6 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO001515.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO001515.txt @@ -17,7 +17,7 @@ CH$LINK: CHEBI CHEBI:17064 CH$LINK: CHEMPDB NIT CH$LINK: KEGG C02126 CH$LINK: NIKKAJI J4.000B -CH$LINK: PUBCHEM SID:5205 +CH$LINK: PUBCHEM CID:7475 CH$LINK: INCHIKEY TYMLOMAKGOJONV-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID8020961 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO001516.txt b/Keio_Univ/MSBNK-Keio_Univ-KO001516.txt index a220ccf5ba0..8ed992e691b 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO001516.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO001516.txt @@ -17,7 +17,7 @@ CH$LINK: CHEBI CHEBI:17064 CH$LINK: CHEMPDB NIT CH$LINK: KEGG C02126 CH$LINK: NIKKAJI J4.000B -CH$LINK: PUBCHEM SID:5205 +CH$LINK: PUBCHEM CID:7475 CH$LINK: INCHIKEY TYMLOMAKGOJONV-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID8020961 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO001517.txt b/Keio_Univ/MSBNK-Keio_Univ-KO001517.txt index 37177226e4d..6a0a484c2b2 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO001517.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO001517.txt @@ -17,7 +17,7 @@ CH$LINK: CHEBI CHEBI:17064 CH$LINK: CHEMPDB NIT CH$LINK: KEGG C02126 CH$LINK: NIKKAJI J4.000B -CH$LINK: PUBCHEM SID:5205 +CH$LINK: PUBCHEM CID:7475 CH$LINK: INCHIKEY TYMLOMAKGOJONV-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID8020961 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO001518.txt b/Keio_Univ/MSBNK-Keio_Univ-KO001518.txt index 3aba3ceef91..80e8eeb9a4f 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO001518.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO001518.txt @@ -17,7 +17,7 @@ CH$LINK: CHEBI CHEBI:17064 CH$LINK: CHEMPDB NIT CH$LINK: KEGG C02126 CH$LINK: NIKKAJI J4.000B -CH$LINK: PUBCHEM SID:5205 +CH$LINK: PUBCHEM CID:7475 CH$LINK: INCHIKEY TYMLOMAKGOJONV-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID8020961 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO001519.txt b/Keio_Univ/MSBNK-Keio_Univ-KO001519.txt index d666975a322..36bfdc2fa8e 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO001519.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO001519.txt @@ -17,7 +17,7 @@ CH$LINK: CHEBI CHEBI:17064 CH$LINK: CHEMPDB NIT CH$LINK: KEGG C02126 CH$LINK: NIKKAJI J4.000B -CH$LINK: PUBCHEM SID:5205 +CH$LINK: PUBCHEM CID:7475 CH$LINK: INCHIKEY TYMLOMAKGOJONV-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID8020961 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO001520.txt b/Keio_Univ/MSBNK-Keio_Univ-KO001520.txt index a08657ba866..833a87f3fa8 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO001520.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO001520.txt @@ -21,7 +21,7 @@ CH$LINK: CHEBI CHEBI:18347 CH$LINK: CHEMPDB NLE CH$LINK: KEGG C01933 CH$LINK: NIKKAJI J9.189H -CH$LINK: PUBCHEM SID:5038 +CH$LINK: PUBCHEM CID:21236 CH$LINK: INCHIKEY LRQKBLKVPFOOQJ-YFKPBYRVSA-N CH$LINK: COMPTOX DTXSID70883362 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO001521.txt b/Keio_Univ/MSBNK-Keio_Univ-KO001521.txt index c05599aa5b8..6f65ed61265 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO001521.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO001521.txt @@ -21,7 +21,7 @@ CH$LINK: CHEBI CHEBI:18347 CH$LINK: CHEMPDB NLE CH$LINK: KEGG C01933 CH$LINK: NIKKAJI J9.189H -CH$LINK: PUBCHEM SID:5038 +CH$LINK: PUBCHEM CID:21236 CH$LINK: INCHIKEY LRQKBLKVPFOOQJ-YFKPBYRVSA-N CH$LINK: COMPTOX DTXSID70883362 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO001522.txt b/Keio_Univ/MSBNK-Keio_Univ-KO001522.txt index 39f83cf6700..a98215b63b4 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO001522.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO001522.txt @@ -21,7 +21,7 @@ CH$LINK: CHEBI CHEBI:18347 CH$LINK: CHEMPDB NLE CH$LINK: KEGG C01933 CH$LINK: NIKKAJI J9.189H -CH$LINK: PUBCHEM SID:5038 +CH$LINK: PUBCHEM CID:21236 CH$LINK: INCHIKEY LRQKBLKVPFOOQJ-YFKPBYRVSA-N CH$LINK: COMPTOX DTXSID70883362 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO001523.txt b/Keio_Univ/MSBNK-Keio_Univ-KO001523.txt index 75f4104c06c..f94a976a77b 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO001523.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO001523.txt @@ -13,7 +13,7 @@ CH$IUPAC: InChI=1S/C14H14O3/c1-9(14(15)16)10-3-4-12-8-13(17-2)6-5-11(12)7-10/h3- CH$LINK: CAS 22204-53-1 CH$LINK: KEGG C01517 CH$LINK: NIKKAJI J9.289D -CH$LINK: PUBCHEM SID:4682 +CH$LINK: PUBCHEM CID:156391 CH$LINK: INCHIKEY CMWTZPSULFXXJA-VIFPVBQESA-N CH$LINK: COMPTOX DTXSID4040686 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO001524.txt b/Keio_Univ/MSBNK-Keio_Univ-KO001524.txt index d0088a793fc..8c2c428f79b 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO001524.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO001524.txt @@ -13,7 +13,7 @@ CH$IUPAC: InChI=1S/C14H14O3/c1-9(14(15)16)10-3-4-12-8-13(17-2)6-5-11(12)7-10/h3- CH$LINK: CAS 22204-53-1 CH$LINK: KEGG C01517 CH$LINK: NIKKAJI J9.289D -CH$LINK: PUBCHEM SID:4682 +CH$LINK: PUBCHEM CID:156391 CH$LINK: INCHIKEY CMWTZPSULFXXJA-VIFPVBQESA-N CH$LINK: COMPTOX DTXSID4040686 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO001525.txt b/Keio_Univ/MSBNK-Keio_Univ-KO001525.txt index d7ddabf8374..61e17cba3d1 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO001525.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO001525.txt @@ -13,7 +13,7 @@ CH$IUPAC: InChI=1S/C14H14O3/c1-9(14(15)16)10-3-4-12-8-13(17-2)6-5-11(12)7-10/h3- CH$LINK: CAS 22204-53-1 CH$LINK: KEGG C01517 CH$LINK: NIKKAJI J9.289D -CH$LINK: PUBCHEM SID:4682 +CH$LINK: PUBCHEM CID:156391 CH$LINK: INCHIKEY CMWTZPSULFXXJA-VIFPVBQESA-N CH$LINK: COMPTOX DTXSID4040686 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO001526.txt b/Keio_Univ/MSBNK-Keio_Univ-KO001526.txt index 251d9de2ebd..cb7d1fb2ecb 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO001526.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO001526.txt @@ -13,7 +13,7 @@ CH$IUPAC: InChI=1S/C14H14O3/c1-9(14(15)16)10-3-4-12-8-13(17-2)6-5-11(12)7-10/h3- CH$LINK: CAS 22204-53-1 CH$LINK: KEGG C01517 CH$LINK: NIKKAJI J9.289D -CH$LINK: PUBCHEM SID:4682 +CH$LINK: PUBCHEM CID:156391 CH$LINK: INCHIKEY CMWTZPSULFXXJA-VIFPVBQESA-N CH$LINK: COMPTOX DTXSID4040686 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO001527.txt b/Keio_Univ/MSBNK-Keio_Univ-KO001527.txt index d79e34cd561..442abd40a6f 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO001527.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO001527.txt @@ -13,7 +13,7 @@ CH$IUPAC: InChI=1S/C14H14O3/c1-9(14(15)16)10-3-4-12-8-13(17-2)6-5-11(12)7-10/h3- CH$LINK: CAS 22204-53-1 CH$LINK: KEGG C01517 CH$LINK: NIKKAJI J9.289D -CH$LINK: PUBCHEM SID:4682 +CH$LINK: PUBCHEM CID:156391 CH$LINK: INCHIKEY CMWTZPSULFXXJA-VIFPVBQESA-N CH$LINK: COMPTOX DTXSID4040686 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO001528.txt b/Keio_Univ/MSBNK-Keio_Univ-KO001528.txt index ccf15d1d5e2..c9a2bdd9ae3 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO001528.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO001528.txt @@ -19,7 +19,7 @@ CH$LINK: CHEBI CHEBI:30915 CH$LINK: CHEMPDB AKG CH$LINK: KEGG C00026 CH$LINK: NIKKAJI J11.847H -CH$LINK: PUBCHEM SID:3328 +CH$LINK: PUBCHEM CID:51 CH$LINK: INCHIKEY KPGXRSRHYNQIFN-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID5033179 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO001529.txt b/Keio_Univ/MSBNK-Keio_Univ-KO001529.txt index fbf5a7d6cb0..b5761ef5a0b 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO001529.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO001529.txt @@ -19,7 +19,7 @@ CH$LINK: CHEBI CHEBI:30915 CH$LINK: CHEMPDB AKG CH$LINK: KEGG C00026 CH$LINK: NIKKAJI J11.847H -CH$LINK: PUBCHEM SID:3328 +CH$LINK: PUBCHEM CID:51 CH$LINK: INCHIKEY KPGXRSRHYNQIFN-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID5033179 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO001530.txt b/Keio_Univ/MSBNK-Keio_Univ-KO001530.txt index d1287a58d92..ea85b649b0c 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO001530.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO001530.txt @@ -19,7 +19,7 @@ CH$LINK: CHEBI CHEBI:30915 CH$LINK: CHEMPDB AKG CH$LINK: KEGG C00026 CH$LINK: NIKKAJI J11.847H -CH$LINK: PUBCHEM SID:3328 +CH$LINK: PUBCHEM CID:51 CH$LINK: INCHIKEY KPGXRSRHYNQIFN-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID5033179 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO001531.txt b/Keio_Univ/MSBNK-Keio_Univ-KO001531.txt index 588b9bb281f..dfb33cb6400 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO001531.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO001531.txt @@ -19,7 +19,7 @@ CH$LINK: CHEBI CHEBI:30915 CH$LINK: CHEMPDB AKG CH$LINK: KEGG C00026 CH$LINK: NIKKAJI J11.847H -CH$LINK: PUBCHEM SID:3328 +CH$LINK: PUBCHEM CID:51 CH$LINK: INCHIKEY KPGXRSRHYNQIFN-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID5033179 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO001532.txt b/Keio_Univ/MSBNK-Keio_Univ-KO001532.txt index 5a3cdf6cb7b..5af48f10108 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO001532.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO001532.txt @@ -18,7 +18,7 @@ CH$LINK: CHEBI CHEBI:15729 CH$LINK: CHEMPDB ORN CH$LINK: KEGG C00077 CH$LINK: NIKKAJI J9.177D -CH$LINK: PUBCHEM SID:3377 +CH$LINK: PUBCHEM CID:6262 CH$LINK: INCHIKEY AHLPHDHHMVZTML-BYPYZUCNSA-N CH$LINK: COMPTOX DTXSID00883219 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO001533.txt b/Keio_Univ/MSBNK-Keio_Univ-KO001533.txt index 75a40ff2c2b..a4a16e890a6 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO001533.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO001533.txt @@ -18,7 +18,7 @@ CH$LINK: CHEBI CHEBI:15729 CH$LINK: CHEMPDB ORN CH$LINK: KEGG C00077 CH$LINK: NIKKAJI J9.177D -CH$LINK: PUBCHEM SID:3377 +CH$LINK: PUBCHEM CID:6262 CH$LINK: INCHIKEY AHLPHDHHMVZTML-BYPYZUCNSA-N CH$LINK: COMPTOX DTXSID00883219 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO001534.txt b/Keio_Univ/MSBNK-Keio_Univ-KO001534.txt index fcf165b3ae1..830e765e0f2 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO001534.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO001534.txt @@ -18,7 +18,7 @@ CH$LINK: CHEBI CHEBI:15729 CH$LINK: CHEMPDB ORN CH$LINK: KEGG C00077 CH$LINK: NIKKAJI J9.177D -CH$LINK: PUBCHEM SID:3377 +CH$LINK: PUBCHEM CID:6262 CH$LINK: INCHIKEY AHLPHDHHMVZTML-BYPYZUCNSA-N CH$LINK: COMPTOX DTXSID00883219 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO001535.txt b/Keio_Univ/MSBNK-Keio_Univ-KO001535.txt index 5bd28f79acb..a895df1633c 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO001535.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO001535.txt @@ -17,7 +17,7 @@ CH$IUPAC: InChI=1S/C5H7NO3/c7-4-2-1-3(6-4)5(8)9/h3H,1-2H2,(H,6,7)(H,8,9)/t3-/m0/ CH$LINK: CAS 98-79-3 CH$LINK: KEGG C01879 CH$LINK: NIKKAJI J4.959J -CH$LINK: PUBCHEM SID:4992 +CH$LINK: PUBCHEM CID:7405 CH$LINK: INCHIKEY ODHCTXKNWHHXJC-VKHMYHEASA-N CH$LINK: COMPTOX DTXSID6046260 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO001536.txt b/Keio_Univ/MSBNK-Keio_Univ-KO001536.txt index f76c276d864..16d7cc23005 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO001536.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO001536.txt @@ -17,7 +17,7 @@ CH$IUPAC: InChI=1S/C5H7NO3/c7-4-2-1-3(6-4)5(8)9/h3H,1-2H2,(H,6,7)(H,8,9)/t3-/m0/ CH$LINK: CAS 98-79-3 CH$LINK: KEGG C01879 CH$LINK: NIKKAJI J4.959J -CH$LINK: PUBCHEM SID:4992 +CH$LINK: PUBCHEM CID:7405 CH$LINK: INCHIKEY ODHCTXKNWHHXJC-VKHMYHEASA-N CH$LINK: COMPTOX DTXSID6046260 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO001537.txt b/Keio_Univ/MSBNK-Keio_Univ-KO001537.txt index 0347247c80c..4f587d57551 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO001537.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO001537.txt @@ -17,7 +17,7 @@ CH$IUPAC: InChI=1S/C5H7NO3/c7-4-2-1-3(6-4)5(8)9/h3H,1-2H2,(H,6,7)(H,8,9)/t3-/m0/ CH$LINK: CAS 98-79-3 CH$LINK: KEGG C01879 CH$LINK: NIKKAJI J4.959J -CH$LINK: PUBCHEM SID:4992 +CH$LINK: PUBCHEM CID:7405 CH$LINK: INCHIKEY ODHCTXKNWHHXJC-VKHMYHEASA-N CH$LINK: COMPTOX DTXSID6046260 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO001538.txt b/Keio_Univ/MSBNK-Keio_Univ-KO001538.txt index 2daa9513294..549f1b810bd 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO001538.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO001538.txt @@ -17,7 +17,7 @@ CH$IUPAC: InChI=1S/C5H7NO3/c7-4-2-1-3(6-4)5(8)9/h3H,1-2H2,(H,6,7)(H,8,9)/t3-/m0/ CH$LINK: CAS 98-79-3 CH$LINK: KEGG C01879 CH$LINK: NIKKAJI J4.959J -CH$LINK: PUBCHEM SID:4992 +CH$LINK: PUBCHEM CID:7405 CH$LINK: INCHIKEY ODHCTXKNWHHXJC-VKHMYHEASA-N CH$LINK: COMPTOX DTXSID6046260 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO001539.txt b/Keio_Univ/MSBNK-Keio_Univ-KO001539.txt index 8516359ea82..afd5df761ef 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO001539.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO001539.txt @@ -17,7 +17,7 @@ CH$IUPAC: InChI=1S/C5H7NO3/c7-4-2-1-3(6-4)5(8)9/h3H,1-2H2,(H,6,7)(H,8,9)/t3-/m0/ CH$LINK: CAS 98-79-3 CH$LINK: KEGG C01879 CH$LINK: NIKKAJI J4.959J -CH$LINK: PUBCHEM SID:4992 +CH$LINK: PUBCHEM CID:7405 CH$LINK: INCHIKEY ODHCTXKNWHHXJC-VKHMYHEASA-N CH$LINK: COMPTOX DTXSID6046260 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO001545.txt b/Keio_Univ/MSBNK-Keio_Univ-KO001545.txt index 23900d7f63c..0e7ebeb3b98 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO001545.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO001545.txt @@ -16,7 +16,7 @@ CH$LINK: CAS 471-47-6 CH$LINK: CHEBI CHEBI:18058 CH$LINK: KEGG C01444 CH$LINK: NIKKAJI J5.942K -CH$LINK: PUBCHEM SID:4622 +CH$LINK: PUBCHEM CID:974 CH$LINK: INCHIKEY SOWBFZRMHSNYGE-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID6060052 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO001546.txt b/Keio_Univ/MSBNK-Keio_Univ-KO001546.txt index a6983efa6df..c54baf752fa 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO001546.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO001546.txt @@ -16,7 +16,7 @@ CH$LINK: CAS 471-47-6 CH$LINK: CHEBI CHEBI:18058 CH$LINK: KEGG C01444 CH$LINK: NIKKAJI J5.942K -CH$LINK: PUBCHEM SID:4622 +CH$LINK: PUBCHEM CID:974 CH$LINK: INCHIKEY SOWBFZRMHSNYGE-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID6060052 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO001547.txt b/Keio_Univ/MSBNK-Keio_Univ-KO001547.txt index 01b5a523749..667aca8d357 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO001547.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO001547.txt @@ -16,7 +16,7 @@ CH$LINK: CAS 471-47-6 CH$LINK: CHEBI CHEBI:18058 CH$LINK: KEGG C01444 CH$LINK: NIKKAJI J5.942K -CH$LINK: PUBCHEM SID:4622 +CH$LINK: PUBCHEM CID:974 CH$LINK: INCHIKEY SOWBFZRMHSNYGE-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID6060052 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO001548.txt b/Keio_Univ/MSBNK-Keio_Univ-KO001548.txt index 3d49faf2ff0..01704868206 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO001548.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO001548.txt @@ -18,7 +18,7 @@ CH$LINK: CAS 504-15-4 CH$LINK: CHEBI CHEBI:16536 CH$LINK: KEGG C00727 CH$LINK: NIKKAJI J6.215D -CH$LINK: PUBCHEM SID:3992 +CH$LINK: PUBCHEM CID:10436 CH$LINK: INCHIKEY OIPPWFOQEKKFEE-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID2060123 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO001549.txt b/Keio_Univ/MSBNK-Keio_Univ-KO001549.txt index ddced94b2ea..9f5d1179b48 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO001549.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO001549.txt @@ -18,7 +18,7 @@ CH$LINK: CAS 504-15-4 CH$LINK: CHEBI CHEBI:16536 CH$LINK: KEGG C00727 CH$LINK: NIKKAJI J6.215D -CH$LINK: PUBCHEM SID:3992 +CH$LINK: PUBCHEM CID:10436 CH$LINK: INCHIKEY OIPPWFOQEKKFEE-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID2060123 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO001550.txt b/Keio_Univ/MSBNK-Keio_Univ-KO001550.txt index 57bfac62621..43ceed518e4 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO001550.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO001550.txt @@ -18,7 +18,7 @@ CH$LINK: CAS 504-15-4 CH$LINK: CHEBI CHEBI:16536 CH$LINK: KEGG C00727 CH$LINK: NIKKAJI J6.215D -CH$LINK: PUBCHEM SID:3992 +CH$LINK: PUBCHEM CID:10436 CH$LINK: INCHIKEY OIPPWFOQEKKFEE-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID2060123 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO001551.txt b/Keio_Univ/MSBNK-Keio_Univ-KO001551.txt index d83bccf6e16..8b0ce7aa969 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO001551.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO001551.txt @@ -18,7 +18,7 @@ CH$LINK: CAS 504-15-4 CH$LINK: CHEBI CHEBI:16536 CH$LINK: KEGG C00727 CH$LINK: NIKKAJI J6.215D -CH$LINK: PUBCHEM SID:3992 +CH$LINK: PUBCHEM CID:10436 CH$LINK: INCHIKEY OIPPWFOQEKKFEE-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID2060123 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO001552.txt b/Keio_Univ/MSBNK-Keio_Univ-KO001552.txt index 559aa5d70e0..0e6b46f5715 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO001552.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO001552.txt @@ -18,7 +18,7 @@ CH$LINK: CAS 504-15-4 CH$LINK: CHEBI CHEBI:16536 CH$LINK: KEGG C00727 CH$LINK: NIKKAJI J6.215D -CH$LINK: PUBCHEM SID:3992 +CH$LINK: PUBCHEM CID:10436 CH$LINK: INCHIKEY OIPPWFOQEKKFEE-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID2060123 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO001553.txt b/Keio_Univ/MSBNK-Keio_Univ-KO001553.txt index 3a42fe42c48..444ad3a75e8 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO001553.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO001553.txt @@ -13,7 +13,7 @@ CH$FORMULA: C6H10O3 CH$EXACT_MASS: 130.06299 CH$SMILES: CCC(=O)CCC(O)=O CH$IUPAC: InChI=1S/C6H10O3/c1-2-5(7)3-4-6(8)9/h2-4H2,1H3,(H,8,9) -CH$LINK: PUBCHEM SID:7850250 +CH$LINK: PUBCHEM CID:3799774 CH$LINK: INCHIKEY CLJBDOUIEHLLEN-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID20912252 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO001554.txt b/Keio_Univ/MSBNK-Keio_Univ-KO001554.txt index 98701072a0b..2022a02163a 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO001554.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO001554.txt @@ -13,7 +13,7 @@ CH$FORMULA: C6H10O3 CH$EXACT_MASS: 130.06299 CH$SMILES: CCC(=O)CCC(O)=O CH$IUPAC: InChI=1S/C6H10O3/c1-2-5(7)3-4-6(8)9/h2-4H2,1H3,(H,8,9) -CH$LINK: PUBCHEM SID:7850250 +CH$LINK: PUBCHEM CID:3799774 CH$LINK: INCHIKEY CLJBDOUIEHLLEN-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID20912252 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO001555.txt b/Keio_Univ/MSBNK-Keio_Univ-KO001555.txt index 6e33cd958c8..e6362bfb042 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO001555.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO001555.txt @@ -13,7 +13,7 @@ CH$FORMULA: C6H10O3 CH$EXACT_MASS: 130.06299 CH$SMILES: CCC(=O)CCC(O)=O CH$IUPAC: InChI=1S/C6H10O3/c1-2-5(7)3-4-6(8)9/h2-4H2,1H3,(H,8,9) -CH$LINK: PUBCHEM SID:7850250 +CH$LINK: PUBCHEM CID:3799774 CH$LINK: INCHIKEY CLJBDOUIEHLLEN-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID20912252 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO001556.txt b/Keio_Univ/MSBNK-Keio_Univ-KO001556.txt index e22788b3b51..0e28a17e81a 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO001556.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO001556.txt @@ -13,7 +13,7 @@ CH$FORMULA: C6H10O3 CH$EXACT_MASS: 130.06299 CH$SMILES: CCC(=O)CCC(O)=O CH$IUPAC: InChI=1S/C6H10O3/c1-2-5(7)3-4-6(8)9/h2-4H2,1H3,(H,8,9) -CH$LINK: PUBCHEM SID:7850250 +CH$LINK: PUBCHEM CID:3799774 CH$LINK: INCHIKEY CLJBDOUIEHLLEN-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID20912252 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO001557.txt b/Keio_Univ/MSBNK-Keio_Univ-KO001557.txt index 6b146aa77e5..93a7f4d4080 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO001557.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO001557.txt @@ -13,7 +13,7 @@ CH$FORMULA: C6H10O3 CH$EXACT_MASS: 130.06299 CH$SMILES: CCC(=O)CCC(O)=O CH$IUPAC: InChI=1S/C6H10O3/c1-2-5(7)3-4-6(8)9/h2-4H2,1H3,(H,8,9) -CH$LINK: PUBCHEM SID:7850250 +CH$LINK: PUBCHEM CID:3799774 CH$LINK: INCHIKEY CLJBDOUIEHLLEN-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID20912252 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO001558.txt b/Keio_Univ/MSBNK-Keio_Univ-KO001558.txt index b5b59d85a94..6d543ae1019 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO001558.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO001558.txt @@ -16,7 +16,7 @@ CH$LINK: CAS 2149-82-8 CH$LINK: CHEBI CHEBI:15842 CH$LINK: KEGG C01103 CH$LINK: NIKKAJI J13.801K -CH$LINK: PUBCHEM SID:4337 +CH$LINK: PUBCHEM CID:160617 CH$LINK: INCHIKEY KYOBSHFOBAOFBF-XVFCMESISA-N AC$INSTRUMENT: API3000, Applied Biosystems AC$INSTRUMENT_TYPE: LC-ESI-QQ diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO001559.txt b/Keio_Univ/MSBNK-Keio_Univ-KO001559.txt index b273d0e33a6..e79aba414a4 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO001559.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO001559.txt @@ -16,7 +16,7 @@ CH$LINK: CAS 2149-82-8 CH$LINK: CHEBI CHEBI:15842 CH$LINK: KEGG C01103 CH$LINK: NIKKAJI J13.801K -CH$LINK: PUBCHEM SID:4337 +CH$LINK: PUBCHEM CID:160617 CH$LINK: INCHIKEY KYOBSHFOBAOFBF-XVFCMESISA-N AC$INSTRUMENT: API3000, Applied Biosystems AC$INSTRUMENT_TYPE: LC-ESI-QQ diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO001560.txt b/Keio_Univ/MSBNK-Keio_Univ-KO001560.txt index be9060985b6..01f86c781fd 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO001560.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO001560.txt @@ -16,7 +16,7 @@ CH$LINK: CAS 2149-82-8 CH$LINK: CHEBI CHEBI:15842 CH$LINK: KEGG C01103 CH$LINK: NIKKAJI J13.801K -CH$LINK: PUBCHEM SID:4337 +CH$LINK: PUBCHEM CID:160617 CH$LINK: INCHIKEY KYOBSHFOBAOFBF-XVFCMESISA-N AC$INSTRUMENT: API3000, Applied Biosystems AC$INSTRUMENT_TYPE: LC-ESI-QQ diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO001561.txt b/Keio_Univ/MSBNK-Keio_Univ-KO001561.txt index a275b225fd8..cdd2c2b8083 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO001561.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO001561.txt @@ -16,7 +16,7 @@ CH$LINK: CAS 2149-82-8 CH$LINK: CHEBI CHEBI:15842 CH$LINK: KEGG C01103 CH$LINK: NIKKAJI J13.801K -CH$LINK: PUBCHEM SID:4337 +CH$LINK: PUBCHEM CID:160617 CH$LINK: INCHIKEY KYOBSHFOBAOFBF-XVFCMESISA-N AC$INSTRUMENT: API3000, Applied Biosystems AC$INSTRUMENT_TYPE: LC-ESI-QQ diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO001562.txt b/Keio_Univ/MSBNK-Keio_Univ-KO001562.txt index 1cc4b1c2be9..d2ee517d606 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO001562.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO001562.txt @@ -16,7 +16,7 @@ CH$LINK: CAS 2149-82-8 CH$LINK: CHEBI CHEBI:15842 CH$LINK: KEGG C01103 CH$LINK: NIKKAJI J13.801K -CH$LINK: PUBCHEM SID:4337 +CH$LINK: PUBCHEM CID:160617 CH$LINK: INCHIKEY KYOBSHFOBAOFBF-XVFCMESISA-N AC$INSTRUMENT: API3000, Applied Biosystems AC$INSTRUMENT_TYPE: LC-ESI-QQ diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO001568.txt b/Keio_Univ/MSBNK-Keio_Univ-KO001568.txt index 5f687149ca0..83bdf42f5ab 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO001568.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO001568.txt @@ -18,7 +18,7 @@ CH$LINK: CHEBI CHEBI:17203 CH$LINK: CHEMPDB PRO CH$LINK: KEGG C00148 CH$LINK: NIKKAJI J9.117K -CH$LINK: PUBCHEM SID:3448 +CH$LINK: PUBCHEM CID:145742 CH$LINK: INCHIKEY ONIBWKKTOPOVIA-BYPYZUCNSA-N CH$LINK: COMPTOX DTXSID5044021 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO001569.txt b/Keio_Univ/MSBNK-Keio_Univ-KO001569.txt index e512d67a7b8..48ad2a723a6 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO001569.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO001569.txt @@ -18,7 +18,7 @@ CH$LINK: CHEBI CHEBI:17203 CH$LINK: CHEMPDB PRO CH$LINK: KEGG C00148 CH$LINK: NIKKAJI J9.117K -CH$LINK: PUBCHEM SID:3448 +CH$LINK: PUBCHEM CID:145742 CH$LINK: INCHIKEY ONIBWKKTOPOVIA-BYPYZUCNSA-N CH$LINK: COMPTOX DTXSID5044021 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO001570.txt b/Keio_Univ/MSBNK-Keio_Univ-KO001570.txt index e434412f66b..cbc05760895 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO001570.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO001570.txt @@ -18,7 +18,7 @@ CH$LINK: CHEBI CHEBI:17203 CH$LINK: CHEMPDB PRO CH$LINK: KEGG C00148 CH$LINK: NIKKAJI J9.117K -CH$LINK: PUBCHEM SID:3448 +CH$LINK: PUBCHEM CID:145742 CH$LINK: INCHIKEY ONIBWKKTOPOVIA-BYPYZUCNSA-N CH$LINK: COMPTOX DTXSID5044021 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO001571.txt b/Keio_Univ/MSBNK-Keio_Univ-KO001571.txt index bd0f2fa6594..49f1f5e46dc 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO001571.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO001571.txt @@ -17,7 +17,7 @@ CH$LINK: CHEBI CHEBI:26055 CH$LINK: CHEMPDB PEP CH$LINK: KEGG C00074 CH$LINK: NIKKAJI J9.706C -CH$LINK: PUBCHEM SID:3374 +CH$LINK: PUBCHEM CID:1005 CH$LINK: INCHIKEY DTBNBXWJWCWCIK-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID80861797 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO001572.txt b/Keio_Univ/MSBNK-Keio_Univ-KO001572.txt index 3e23d95b1b1..ccdea24a31d 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO001572.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO001572.txt @@ -17,7 +17,7 @@ CH$LINK: CHEBI CHEBI:26055 CH$LINK: CHEMPDB PEP CH$LINK: KEGG C00074 CH$LINK: NIKKAJI J9.706C -CH$LINK: PUBCHEM SID:3374 +CH$LINK: PUBCHEM CID:1005 CH$LINK: INCHIKEY DTBNBXWJWCWCIK-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID80861797 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO001573.txt b/Keio_Univ/MSBNK-Keio_Univ-KO001573.txt index 91d0cd4a5f0..20eae067352 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO001573.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO001573.txt @@ -17,7 +17,7 @@ CH$LINK: CHEBI CHEBI:26055 CH$LINK: CHEMPDB PEP CH$LINK: KEGG C00074 CH$LINK: NIKKAJI J9.706C -CH$LINK: PUBCHEM SID:3374 +CH$LINK: PUBCHEM CID:1005 CH$LINK: INCHIKEY DTBNBXWJWCWCIK-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID80861797 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO001574.txt b/Keio_Univ/MSBNK-Keio_Univ-KO001574.txt index 09b163ec064..1d110e9fb27 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO001574.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO001574.txt @@ -17,7 +17,7 @@ CH$LINK: CHEBI CHEBI:26055 CH$LINK: CHEMPDB PEP CH$LINK: KEGG C00074 CH$LINK: NIKKAJI J9.706C -CH$LINK: PUBCHEM SID:3374 +CH$LINK: PUBCHEM CID:1005 CH$LINK: INCHIKEY DTBNBXWJWCWCIK-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID80861797 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO001575.txt b/Keio_Univ/MSBNK-Keio_Univ-KO001575.txt index af41212777b..25a756324c0 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO001575.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO001575.txt @@ -17,7 +17,7 @@ CH$LINK: CHEBI CHEBI:26055 CH$LINK: CHEMPDB PEP CH$LINK: KEGG C00074 CH$LINK: NIKKAJI J9.706C -CH$LINK: PUBCHEM SID:3374 +CH$LINK: PUBCHEM CID:1005 CH$LINK: INCHIKEY DTBNBXWJWCWCIK-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID80861797 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO001576.txt b/Keio_Univ/MSBNK-Keio_Univ-KO001576.txt index 909bbb8b800..8d3de97a767 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO001576.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO001576.txt @@ -15,7 +15,7 @@ CH$LINK: CHEBI CHEBI:17310 CH$LINK: CHEMPDB PXL CH$LINK: KEGG C00250 CH$LINK: NIKKAJI J2.361B -CH$LINK: PUBCHEM SID:3549 +CH$LINK: PUBCHEM CID:1050 CH$LINK: INCHIKEY RADKZDMFGJYCBB-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID4046020 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO001577.txt b/Keio_Univ/MSBNK-Keio_Univ-KO001577.txt index 4923f1df0a7..3e48583a431 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO001577.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO001577.txt @@ -15,7 +15,7 @@ CH$LINK: CHEBI CHEBI:17310 CH$LINK: CHEMPDB PXL CH$LINK: KEGG C00250 CH$LINK: NIKKAJI J2.361B -CH$LINK: PUBCHEM SID:3549 +CH$LINK: PUBCHEM CID:1050 CH$LINK: INCHIKEY RADKZDMFGJYCBB-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID4046020 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO001578.txt b/Keio_Univ/MSBNK-Keio_Univ-KO001578.txt index 4bd9d367b2a..db5d8e636d4 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO001578.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO001578.txt @@ -15,7 +15,7 @@ CH$LINK: CHEBI CHEBI:17310 CH$LINK: CHEMPDB PXL CH$LINK: KEGG C00250 CH$LINK: NIKKAJI J2.361B -CH$LINK: PUBCHEM SID:3549 +CH$LINK: PUBCHEM CID:1050 CH$LINK: INCHIKEY RADKZDMFGJYCBB-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID4046020 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO001579.txt b/Keio_Univ/MSBNK-Keio_Univ-KO001579.txt index a0a87678c12..7efefb1d1f5 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO001579.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO001579.txt @@ -15,7 +15,7 @@ CH$LINK: CHEBI CHEBI:17310 CH$LINK: CHEMPDB PXL CH$LINK: KEGG C00250 CH$LINK: NIKKAJI J2.361B -CH$LINK: PUBCHEM SID:3549 +CH$LINK: PUBCHEM CID:1050 CH$LINK: INCHIKEY RADKZDMFGJYCBB-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID4046020 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO001580.txt b/Keio_Univ/MSBNK-Keio_Univ-KO001580.txt index b91651816c8..a6dd524803a 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO001580.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO001580.txt @@ -15,7 +15,7 @@ CH$LINK: CHEBI CHEBI:17310 CH$LINK: CHEMPDB PXL CH$LINK: KEGG C00250 CH$LINK: NIKKAJI J2.361B -CH$LINK: PUBCHEM SID:3549 +CH$LINK: PUBCHEM CID:1050 CH$LINK: INCHIKEY RADKZDMFGJYCBB-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID4046020 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO001586.txt b/Keio_Univ/MSBNK-Keio_Univ-KO001586.txt index 0d1c9cc7e52..18e58f34798 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO001586.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO001586.txt @@ -18,7 +18,7 @@ CH$LINK: CHEBI CHEBI:30768 CH$LINK: CHEMPDB PPI CH$LINK: KEGG C00163 CH$LINK: NIKKAJI J1.963A -CH$LINK: PUBCHEM SID:3463 +CH$LINK: PUBCHEM CID:1032 CH$LINK: INCHIKEY XBDQKXXYIPTUBI-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID8025961 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO001587.txt b/Keio_Univ/MSBNK-Keio_Univ-KO001587.txt index 807ad23b801..ae818fe945d 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO001587.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO001587.txt @@ -18,7 +18,7 @@ CH$LINK: CHEBI CHEBI:30768 CH$LINK: CHEMPDB PPI CH$LINK: KEGG C00163 CH$LINK: NIKKAJI J1.963A -CH$LINK: PUBCHEM SID:3463 +CH$LINK: PUBCHEM CID:1032 CH$LINK: INCHIKEY XBDQKXXYIPTUBI-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID8025961 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO001588.txt b/Keio_Univ/MSBNK-Keio_Univ-KO001588.txt index b2817499460..54a4a49b7ce 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO001588.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO001588.txt @@ -18,7 +18,7 @@ CH$LINK: CHEBI CHEBI:30768 CH$LINK: CHEMPDB PPI CH$LINK: KEGG C00163 CH$LINK: NIKKAJI J1.963A -CH$LINK: PUBCHEM SID:3463 +CH$LINK: PUBCHEM CID:1032 CH$LINK: INCHIKEY XBDQKXXYIPTUBI-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID8025961 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO001589.txt b/Keio_Univ/MSBNK-Keio_Univ-KO001589.txt index 5e203554f65..e70ced4ebef 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO001589.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO001589.txt @@ -18,7 +18,7 @@ CH$LINK: CHEBI CHEBI:30768 CH$LINK: CHEMPDB PPI CH$LINK: KEGG C00163 CH$LINK: NIKKAJI J1.963A -CH$LINK: PUBCHEM SID:3463 +CH$LINK: PUBCHEM CID:1032 CH$LINK: INCHIKEY XBDQKXXYIPTUBI-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID8025961 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO001590.txt b/Keio_Univ/MSBNK-Keio_Univ-KO001590.txt index d4aa00772dd..bf6770edd4d 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO001590.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO001590.txt @@ -19,7 +19,7 @@ CH$LINK: CHEBI CHEBI:32816 CH$LINK: CHEMPDB PYR CH$LINK: KEGG C00022 CH$LINK: NIKKAJI J2.015J -CH$LINK: PUBCHEM SID:3324 +CH$LINK: PUBCHEM CID:1060 CH$LINK: INCHIKEY LCTONWCANYUPML-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID2021650 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO001591.txt b/Keio_Univ/MSBNK-Keio_Univ-KO001591.txt index 8310e0bf45e..c1a2b22a4a8 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO001591.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO001591.txt @@ -19,7 +19,7 @@ CH$LINK: CHEBI CHEBI:32816 CH$LINK: CHEMPDB PYR CH$LINK: KEGG C00022 CH$LINK: NIKKAJI J2.015J -CH$LINK: PUBCHEM SID:3324 +CH$LINK: PUBCHEM CID:1060 CH$LINK: INCHIKEY LCTONWCANYUPML-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID2021650 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO001592.txt b/Keio_Univ/MSBNK-Keio_Univ-KO001592.txt index 0ce90ac0446..f5820afe95c 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO001592.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO001592.txt @@ -19,7 +19,7 @@ CH$LINK: CHEBI CHEBI:32816 CH$LINK: CHEMPDB PYR CH$LINK: KEGG C00022 CH$LINK: NIKKAJI J2.015J -CH$LINK: PUBCHEM SID:3324 +CH$LINK: PUBCHEM CID:1060 CH$LINK: INCHIKEY LCTONWCANYUPML-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID2021650 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO001593.txt b/Keio_Univ/MSBNK-Keio_Univ-KO001593.txt index ddfe5f30caf..5d66bcb3f01 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO001593.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO001593.txt @@ -19,7 +19,7 @@ CH$LINK: CHEBI CHEBI:32816 CH$LINK: CHEMPDB PYR CH$LINK: KEGG C00022 CH$LINK: NIKKAJI J2.015J -CH$LINK: PUBCHEM SID:3324 +CH$LINK: PUBCHEM CID:1060 CH$LINK: INCHIKEY LCTONWCANYUPML-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID2021650 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO001594.txt b/Keio_Univ/MSBNK-Keio_Univ-KO001594.txt index 421b4753315..93ab7531ac9 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO001594.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO001594.txt @@ -19,7 +19,7 @@ CH$LINK: CHEBI CHEBI:32816 CH$LINK: CHEMPDB PYR CH$LINK: KEGG C00022 CH$LINK: NIKKAJI J2.015J -CH$LINK: PUBCHEM SID:3324 +CH$LINK: PUBCHEM CID:1060 CH$LINK: INCHIKEY LCTONWCANYUPML-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID2021650 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO001595.txt b/Keio_Univ/MSBNK-Keio_Univ-KO001595.txt index d5ab3393574..2a6330e5091 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO001595.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO001595.txt @@ -14,7 +14,7 @@ CH$SMILES: OC[C@H](C(O)=O)OP(O)(O)=O CH$IUPAC: InChI=1S/C3H7O7P/c4-1-2(3(5)6)10-11(7,8)9/h2,4H,1H2,(H,5,6)(H2,7,8,9)/t2-/m1/s1 CH$LINK: CHEBI CHEBI:17835 CH$LINK: KEGG C00631 -CH$LINK: PUBCHEM SID:3904 +CH$LINK: PUBCHEM CID:439278 CH$LINK: INCHIKEY GXIURPTVHJPJLF-UWTATZPHSA-N AC$INSTRUMENT: API3000, Applied Biosystems AC$INSTRUMENT_TYPE: LC-ESI-QQ diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO001596.txt b/Keio_Univ/MSBNK-Keio_Univ-KO001596.txt index 8e88fc57672..a1b9f40edc3 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO001596.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO001596.txt @@ -14,7 +14,7 @@ CH$SMILES: OC[C@H](C(O)=O)OP(O)(O)=O CH$IUPAC: InChI=1S/C3H7O7P/c4-1-2(3(5)6)10-11(7,8)9/h2,4H,1H2,(H,5,6)(H2,7,8,9)/t2-/m1/s1 CH$LINK: CHEBI CHEBI:17835 CH$LINK: KEGG C00631 -CH$LINK: PUBCHEM SID:3904 +CH$LINK: PUBCHEM CID:439278 CH$LINK: INCHIKEY GXIURPTVHJPJLF-UWTATZPHSA-N AC$INSTRUMENT: API3000, Applied Biosystems AC$INSTRUMENT_TYPE: LC-ESI-QQ diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO001597.txt b/Keio_Univ/MSBNK-Keio_Univ-KO001597.txt index 21bf66b6956..0f2bd1bd1e4 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO001597.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO001597.txt @@ -14,7 +14,7 @@ CH$SMILES: OC[C@H](C(O)=O)OP(O)(O)=O CH$IUPAC: InChI=1S/C3H7O7P/c4-1-2(3(5)6)10-11(7,8)9/h2,4H,1H2,(H,5,6)(H2,7,8,9)/t2-/m1/s1 CH$LINK: CHEBI CHEBI:17835 CH$LINK: KEGG C00631 -CH$LINK: PUBCHEM SID:3904 +CH$LINK: PUBCHEM CID:439278 CH$LINK: INCHIKEY GXIURPTVHJPJLF-UWTATZPHSA-N AC$INSTRUMENT: API3000, Applied Biosystems AC$INSTRUMENT_TYPE: LC-ESI-QQ diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO001598.txt b/Keio_Univ/MSBNK-Keio_Univ-KO001598.txt index 730943bc596..072777991da 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO001598.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO001598.txt @@ -14,7 +14,7 @@ CH$SMILES: OC[C@H](C(O)=O)OP(O)(O)=O CH$IUPAC: InChI=1S/C3H7O7P/c4-1-2(3(5)6)10-11(7,8)9/h2,4H,1H2,(H,5,6)(H2,7,8,9)/t2-/m1/s1 CH$LINK: CHEBI CHEBI:17835 CH$LINK: KEGG C00631 -CH$LINK: PUBCHEM SID:3904 +CH$LINK: PUBCHEM CID:439278 CH$LINK: INCHIKEY GXIURPTVHJPJLF-UWTATZPHSA-N AC$INSTRUMENT: API3000, Applied Biosystems AC$INSTRUMENT_TYPE: LC-ESI-QQ diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO001599.txt b/Keio_Univ/MSBNK-Keio_Univ-KO001599.txt index 3fa37a602d6..31d996a1ef0 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO001599.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO001599.txt @@ -14,7 +14,7 @@ CH$SMILES: OC[C@H](C(O)=O)OP(O)(O)=O CH$IUPAC: InChI=1S/C3H7O7P/c4-1-2(3(5)6)10-11(7,8)9/h2,4H,1H2,(H,5,6)(H2,7,8,9)/t2-/m1/s1 CH$LINK: CHEBI CHEBI:17835 CH$LINK: KEGG C00631 -CH$LINK: PUBCHEM SID:3904 +CH$LINK: PUBCHEM CID:439278 CH$LINK: INCHIKEY GXIURPTVHJPJLF-UWTATZPHSA-N AC$INSTRUMENT: API3000, Applied Biosystems AC$INSTRUMENT_TYPE: LC-ESI-QQ diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO001600.txt b/Keio_Univ/MSBNK-Keio_Univ-KO001600.txt index 483e5673421..0d02d30f592 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO001600.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO001600.txt @@ -14,7 +14,7 @@ CH$SMILES: OC(=O)[C@H](O)[C@@H](O)[C@H](O)[C@H](O)COP(O)(O)=O CH$IUPAC: InChI=1S/C6H13O10P/c7-2(1-16-17(13,14)15)3(8)4(9)5(10)6(11)12/h2-5,7-10H,1H2,(H,11,12)(H2,13,14,15)/t2-,3-,4+,5-/m1/s1 CH$LINK: CHEBI CHEBI:16863 CH$LINK: KEGG C00345 -CH$LINK: PUBCHEM SID:3638 +CH$LINK: PUBCHEM CID:91493 CH$LINK: INCHIKEY BIRSGZKFKXLSJQ-SQOUGZDYSA-N CH$LINK: COMPTOX DTXSID00872623 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO001601.txt b/Keio_Univ/MSBNK-Keio_Univ-KO001601.txt index bdfaf693d2c..985018f3809 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO001601.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO001601.txt @@ -14,7 +14,7 @@ CH$SMILES: OC(=O)[C@H](O)[C@@H](O)[C@H](O)[C@H](O)COP(O)(O)=O CH$IUPAC: InChI=1S/C6H13O10P/c7-2(1-16-17(13,14)15)3(8)4(9)5(10)6(11)12/h2-5,7-10H,1H2,(H,11,12)(H2,13,14,15)/t2-,3-,4+,5-/m1/s1 CH$LINK: CHEBI CHEBI:16863 CH$LINK: KEGG C00345 -CH$LINK: PUBCHEM SID:3638 +CH$LINK: PUBCHEM CID:91493 CH$LINK: INCHIKEY BIRSGZKFKXLSJQ-SQOUGZDYSA-N CH$LINK: COMPTOX DTXSID00872623 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO001602.txt b/Keio_Univ/MSBNK-Keio_Univ-KO001602.txt index 38acc96dd18..9361a292413 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO001602.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO001602.txt @@ -14,7 +14,7 @@ CH$SMILES: OC(=O)[C@H](O)[C@@H](O)[C@H](O)[C@H](O)COP(O)(O)=O CH$IUPAC: InChI=1S/C6H13O10P/c7-2(1-16-17(13,14)15)3(8)4(9)5(10)6(11)12/h2-5,7-10H,1H2,(H,11,12)(H2,13,14,15)/t2-,3-,4+,5-/m1/s1 CH$LINK: CHEBI CHEBI:16863 CH$LINK: KEGG C00345 -CH$LINK: PUBCHEM SID:3638 +CH$LINK: PUBCHEM CID:91493 CH$LINK: INCHIKEY BIRSGZKFKXLSJQ-SQOUGZDYSA-N CH$LINK: COMPTOX DTXSID00872623 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO001603.txt b/Keio_Univ/MSBNK-Keio_Univ-KO001603.txt index ef1900ea499..bf470b9a590 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO001603.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO001603.txt @@ -14,7 +14,7 @@ CH$SMILES: OC(=O)[C@H](O)[C@@H](O)[C@H](O)[C@H](O)COP(O)(O)=O CH$IUPAC: InChI=1S/C6H13O10P/c7-2(1-16-17(13,14)15)3(8)4(9)5(10)6(11)12/h2-5,7-10H,1H2,(H,11,12)(H2,13,14,15)/t2-,3-,4+,5-/m1/s1 CH$LINK: CHEBI CHEBI:16863 CH$LINK: KEGG C00345 -CH$LINK: PUBCHEM SID:3638 +CH$LINK: PUBCHEM CID:91493 CH$LINK: INCHIKEY BIRSGZKFKXLSJQ-SQOUGZDYSA-N CH$LINK: COMPTOX DTXSID00872623 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO001604.txt b/Keio_Univ/MSBNK-Keio_Univ-KO001604.txt index 9974ebf0117..b269f261d93 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO001604.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO001604.txt @@ -14,7 +14,7 @@ CH$SMILES: OC(=O)[C@H](O)[C@@H](O)[C@H](O)[C@H](O)COP(O)(O)=O CH$IUPAC: InChI=1S/C6H13O10P/c7-2(1-16-17(13,14)15)3(8)4(9)5(10)6(11)12/h2-5,7-10H,1H2,(H,11,12)(H2,13,14,15)/t2-,3-,4+,5-/m1/s1 CH$LINK: CHEBI CHEBI:16863 CH$LINK: KEGG C00345 -CH$LINK: PUBCHEM SID:3638 +CH$LINK: PUBCHEM CID:91493 CH$LINK: INCHIKEY BIRSGZKFKXLSJQ-SQOUGZDYSA-N CH$LINK: COMPTOX DTXSID00872623 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO001605.txt b/Keio_Univ/MSBNK-Keio_Univ-KO001605.txt index 4a84c32479e..97856206592 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO001605.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO001605.txt @@ -17,7 +17,7 @@ CH$LINK: CAS 79-83-4 CH$LINK: CHEBI CHEBI:7916 CH$LINK: KEGG C00864 CH$LINK: NIKKAJI J4.242K -CH$LINK: PUBCHEM SID:4121 +CH$LINK: PUBCHEM CID:6613 CH$LINK: INCHIKEY GHOKWGTUZJEAQD-ZETCQYMHSA-N CH$LINK: COMPTOX DTXSID9023417 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO001606.txt b/Keio_Univ/MSBNK-Keio_Univ-KO001606.txt index eae6105fa28..281cb2b9a8b 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO001606.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO001606.txt @@ -17,7 +17,7 @@ CH$LINK: CAS 79-83-4 CH$LINK: CHEBI CHEBI:7916 CH$LINK: KEGG C00864 CH$LINK: NIKKAJI J4.242K -CH$LINK: PUBCHEM SID:4121 +CH$LINK: PUBCHEM CID:6613 CH$LINK: INCHIKEY GHOKWGTUZJEAQD-ZETCQYMHSA-N CH$LINK: COMPTOX DTXSID9023417 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO001607.txt b/Keio_Univ/MSBNK-Keio_Univ-KO001607.txt index 2545bf31ade..548adf31fd7 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO001607.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO001607.txt @@ -17,7 +17,7 @@ CH$LINK: CAS 79-83-4 CH$LINK: CHEBI CHEBI:7916 CH$LINK: KEGG C00864 CH$LINK: NIKKAJI J4.242K -CH$LINK: PUBCHEM SID:4121 +CH$LINK: PUBCHEM CID:6613 CH$LINK: INCHIKEY GHOKWGTUZJEAQD-ZETCQYMHSA-N CH$LINK: COMPTOX DTXSID9023417 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO001608.txt b/Keio_Univ/MSBNK-Keio_Univ-KO001608.txt index 75ec1cbc3a3..7945f98779e 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO001608.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO001608.txt @@ -17,7 +17,7 @@ CH$LINK: CAS 79-83-4 CH$LINK: CHEBI CHEBI:7916 CH$LINK: KEGG C00864 CH$LINK: NIKKAJI J4.242K -CH$LINK: PUBCHEM SID:4121 +CH$LINK: PUBCHEM CID:6613 CH$LINK: INCHIKEY GHOKWGTUZJEAQD-ZETCQYMHSA-N CH$LINK: COMPTOX DTXSID9023417 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO001609.txt b/Keio_Univ/MSBNK-Keio_Univ-KO001609.txt index d8bd59f36d2..d5e1752ee1e 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO001609.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO001609.txt @@ -17,7 +17,7 @@ CH$LINK: CAS 79-83-4 CH$LINK: CHEBI CHEBI:7916 CH$LINK: KEGG C00864 CH$LINK: NIKKAJI J4.242K -CH$LINK: PUBCHEM SID:4121 +CH$LINK: PUBCHEM CID:6613 CH$LINK: INCHIKEY GHOKWGTUZJEAQD-ZETCQYMHSA-N CH$LINK: COMPTOX DTXSID9023417 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO001610.txt b/Keio_Univ/MSBNK-Keio_Univ-KO001610.txt index 6ce4d236665..7d4863fb691 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO001610.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO001610.txt @@ -15,7 +15,7 @@ CH$IUPAC: InChI=1S/C6H7O4P/c7-11(8,9)10-6-4-2-1-3-5-6/h1-5H,(H2,7,8,9) CH$LINK: CAS 701-64-4 CH$LINK: KEGG C02734 CH$LINK: NIKKAJI J32.914B -CH$LINK: PUBCHEM SID:5695 +CH$LINK: PUBCHEM CID:12793 CH$LINK: INCHIKEY CMPQUABWPXYYSH-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID6044981 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO001611.txt b/Keio_Univ/MSBNK-Keio_Univ-KO001611.txt index 4ec2a7fe1b1..c8dfacf3164 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO001611.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO001611.txt @@ -15,7 +15,7 @@ CH$IUPAC: InChI=1S/C6H7O4P/c7-11(8,9)10-6-4-2-1-3-5-6/h1-5H,(H2,7,8,9) CH$LINK: CAS 701-64-4 CH$LINK: KEGG C02734 CH$LINK: NIKKAJI J32.914B -CH$LINK: PUBCHEM SID:5695 +CH$LINK: PUBCHEM CID:12793 CH$LINK: INCHIKEY CMPQUABWPXYYSH-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID6044981 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO001612.txt b/Keio_Univ/MSBNK-Keio_Univ-KO001612.txt index 5516d42efa9..08721e23c5c 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO001612.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO001612.txt @@ -15,7 +15,7 @@ CH$IUPAC: InChI=1S/C6H7O4P/c7-11(8,9)10-6-4-2-1-3-5-6/h1-5H,(H2,7,8,9) CH$LINK: CAS 701-64-4 CH$LINK: KEGG C02734 CH$LINK: NIKKAJI J32.914B -CH$LINK: PUBCHEM SID:5695 +CH$LINK: PUBCHEM CID:12793 CH$LINK: INCHIKEY CMPQUABWPXYYSH-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID6044981 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO001613.txt b/Keio_Univ/MSBNK-Keio_Univ-KO001613.txt index 6eb273e8361..43078ad9532 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO001613.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO001613.txt @@ -15,7 +15,7 @@ CH$IUPAC: InChI=1S/C6H7O4P/c7-11(8,9)10-6-4-2-1-3-5-6/h1-5H,(H2,7,8,9) CH$LINK: CAS 701-64-4 CH$LINK: KEGG C02734 CH$LINK: NIKKAJI J32.914B -CH$LINK: PUBCHEM SID:5695 +CH$LINK: PUBCHEM CID:12793 CH$LINK: INCHIKEY CMPQUABWPXYYSH-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID6044981 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO001614.txt b/Keio_Univ/MSBNK-Keio_Univ-KO001614.txt index bf5db711541..fbcca577495 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO001614.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO001614.txt @@ -15,7 +15,7 @@ CH$IUPAC: InChI=1S/C6H7O4P/c7-11(8,9)10-6-4-2-1-3-5-6/h1-5H,(H2,7,8,9) CH$LINK: CAS 701-64-4 CH$LINK: KEGG C02734 CH$LINK: NIKKAJI J32.914B -CH$LINK: PUBCHEM SID:5695 +CH$LINK: PUBCHEM CID:12793 CH$LINK: INCHIKEY CMPQUABWPXYYSH-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID6044981 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO001615.txt b/Keio_Univ/MSBNK-Keio_Univ-KO001615.txt index 6baa939722b..bc6f5f1eaf7 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO001615.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO001615.txt @@ -17,7 +17,7 @@ CH$LINK: CHEBI CHEBI:18405 CH$LINK: CHEMPDB PLP CH$LINK: KEGG C00018 CH$LINK: NIKKAJI J10.690I -CH$LINK: PUBCHEM SID:3320 +CH$LINK: PUBCHEM CID:1051 CH$LINK: INCHIKEY NGVDGCNFYWLIFO-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID4048351 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO001616.txt b/Keio_Univ/MSBNK-Keio_Univ-KO001616.txt index 05cb2a566a7..d6374f33c98 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO001616.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO001616.txt @@ -17,7 +17,7 @@ CH$LINK: CHEBI CHEBI:18405 CH$LINK: CHEMPDB PLP CH$LINK: KEGG C00018 CH$LINK: NIKKAJI J10.690I -CH$LINK: PUBCHEM SID:3320 +CH$LINK: PUBCHEM CID:1051 CH$LINK: INCHIKEY NGVDGCNFYWLIFO-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID4048351 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO001617.txt b/Keio_Univ/MSBNK-Keio_Univ-KO001617.txt index fdbe528de31..73fff2bb3e7 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO001617.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO001617.txt @@ -17,7 +17,7 @@ CH$LINK: CHEBI CHEBI:18405 CH$LINK: CHEMPDB PLP CH$LINK: KEGG C00018 CH$LINK: NIKKAJI J10.690I -CH$LINK: PUBCHEM SID:3320 +CH$LINK: PUBCHEM CID:1051 CH$LINK: INCHIKEY NGVDGCNFYWLIFO-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID4048351 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO001618.txt b/Keio_Univ/MSBNK-Keio_Univ-KO001618.txt index f0d8151ded3..11a9fd8a680 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO001618.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO001618.txt @@ -17,7 +17,7 @@ CH$LINK: CHEBI CHEBI:18405 CH$LINK: CHEMPDB PLP CH$LINK: KEGG C00018 CH$LINK: NIKKAJI J10.690I -CH$LINK: PUBCHEM SID:3320 +CH$LINK: PUBCHEM CID:1051 CH$LINK: INCHIKEY NGVDGCNFYWLIFO-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID4048351 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO001619.txt b/Keio_Univ/MSBNK-Keio_Univ-KO001619.txt index 3e2912ddfad..3276d5f7336 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO001619.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO001619.txt @@ -17,7 +17,7 @@ CH$LINK: CHEBI CHEBI:18405 CH$LINK: CHEMPDB PLP CH$LINK: KEGG C00018 CH$LINK: NIKKAJI J10.690I -CH$LINK: PUBCHEM SID:3320 +CH$LINK: PUBCHEM CID:1051 CH$LINK: INCHIKEY NGVDGCNFYWLIFO-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID4048351 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO001625.txt b/Keio_Univ/MSBNK-Keio_Univ-KO001625.txt index 85fac6a5b63..e5a13aca439 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO001625.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO001625.txt @@ -18,7 +18,7 @@ CH$LINK: CAS 471-25-0 CH$LINK: CHEBI CHEBI:15364 CH$LINK: KEGG C00804 CH$LINK: NIKKAJI J5.941B -CH$LINK: PUBCHEM SID:4062 +CH$LINK: PUBCHEM CID:10110 CH$LINK: INCHIKEY UORVCLMRJXCDCP-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID6060050 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO001626.txt b/Keio_Univ/MSBNK-Keio_Univ-KO001626.txt index f81d67d59ed..fc5f5041dd1 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO001626.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO001626.txt @@ -18,7 +18,7 @@ CH$LINK: CHEBI CHEBI:28716 CH$LINK: CHEMPDB PAM CH$LINK: KEGG C08362 CH$LINK: NIKKAJI J12.503B -CH$LINK: PUBCHEM SID:10558 +CH$LINK: PUBCHEM CID:445638 CH$LINK: INCHIKEY SECPZKHBENQXJG-FPLPWBNLSA-N CH$LINK: COMPTOX DTXSID0041197 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO001627.txt b/Keio_Univ/MSBNK-Keio_Univ-KO001627.txt index 8d4ec27ecdc..8809de77bcd 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO001627.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO001627.txt @@ -18,7 +18,7 @@ CH$LINK: CHEBI CHEBI:28716 CH$LINK: CHEMPDB PAM CH$LINK: KEGG C08362 CH$LINK: NIKKAJI J12.503B -CH$LINK: PUBCHEM SID:10558 +CH$LINK: PUBCHEM CID:445638 CH$LINK: INCHIKEY SECPZKHBENQXJG-FPLPWBNLSA-N CH$LINK: COMPTOX DTXSID0041197 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO001628.txt b/Keio_Univ/MSBNK-Keio_Univ-KO001628.txt index d7ebc86d20b..c55fc205291 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO001628.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO001628.txt @@ -18,7 +18,7 @@ CH$LINK: CHEBI CHEBI:28716 CH$LINK: CHEMPDB PAM CH$LINK: KEGG C08362 CH$LINK: NIKKAJI J12.503B -CH$LINK: PUBCHEM SID:10558 +CH$LINK: PUBCHEM CID:445638 CH$LINK: INCHIKEY SECPZKHBENQXJG-FPLPWBNLSA-N CH$LINK: COMPTOX DTXSID0041197 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO001629.txt b/Keio_Univ/MSBNK-Keio_Univ-KO001629.txt index 7e87ee23dce..00f148b7607 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO001629.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO001629.txt @@ -18,7 +18,7 @@ CH$LINK: CHEBI CHEBI:28716 CH$LINK: CHEMPDB PAM CH$LINK: KEGG C08362 CH$LINK: NIKKAJI J12.503B -CH$LINK: PUBCHEM SID:10558 +CH$LINK: PUBCHEM CID:445638 CH$LINK: INCHIKEY SECPZKHBENQXJG-FPLPWBNLSA-N CH$LINK: COMPTOX DTXSID0041197 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO001630.txt b/Keio_Univ/MSBNK-Keio_Univ-KO001630.txt index 2c53f578784..46d67fed31c 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO001630.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO001630.txt @@ -18,7 +18,7 @@ CH$LINK: CHEBI CHEBI:28716 CH$LINK: CHEMPDB PAM CH$LINK: KEGG C08362 CH$LINK: NIKKAJI J12.503B -CH$LINK: PUBCHEM SID:10558 +CH$LINK: PUBCHEM CID:445638 CH$LINK: INCHIKEY SECPZKHBENQXJG-FPLPWBNLSA-N CH$LINK: COMPTOX DTXSID0041197 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO001631.txt b/Keio_Univ/MSBNK-Keio_Univ-KO001631.txt index b0b0007320c..52a53a0e2a3 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO001631.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO001631.txt @@ -19,7 +19,7 @@ CH$LINK: CAS 3105-95-1 CH$LINK: CHEBI CHEBI:30913 CH$LINK: KEGG C00408 CH$LINK: NIKKAJI J215.717I -CH$LINK: PUBCHEM SID:3698 +CH$LINK: PUBCHEM CID:439227 CH$LINK: INCHIKEY HXEACLLIILLPRG-YFKPBYRVSA-N AC$INSTRUMENT: API3000, Applied Biosystems AC$INSTRUMENT_TYPE: LC-ESI-QQ diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO001632.txt b/Keio_Univ/MSBNK-Keio_Univ-KO001632.txt index fcb50dfe110..97884eea487 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO001632.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO001632.txt @@ -19,7 +19,7 @@ CH$LINK: CAS 3105-95-1 CH$LINK: CHEBI CHEBI:30913 CH$LINK: KEGG C00408 CH$LINK: NIKKAJI J215.717I -CH$LINK: PUBCHEM SID:3698 +CH$LINK: PUBCHEM CID:439227 CH$LINK: INCHIKEY HXEACLLIILLPRG-YFKPBYRVSA-N AC$INSTRUMENT: API3000, Applied Biosystems AC$INSTRUMENT_TYPE: LC-ESI-QQ diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO001633.txt b/Keio_Univ/MSBNK-Keio_Univ-KO001633.txt index ec51d368b80..1c7adfaa690 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO001633.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO001633.txt @@ -19,7 +19,7 @@ CH$LINK: CAS 3105-95-1 CH$LINK: CHEBI CHEBI:30913 CH$LINK: KEGG C00408 CH$LINK: NIKKAJI J215.717I -CH$LINK: PUBCHEM SID:3698 +CH$LINK: PUBCHEM CID:439227 CH$LINK: INCHIKEY HXEACLLIILLPRG-YFKPBYRVSA-N AC$INSTRUMENT: API3000, Applied Biosystems AC$INSTRUMENT_TYPE: LC-ESI-QQ diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO001634.txt b/Keio_Univ/MSBNK-Keio_Univ-KO001634.txt index 64cb5f4aa07..9d9a684d708 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO001634.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO001634.txt @@ -19,7 +19,7 @@ CH$LINK: CAS 3105-95-1 CH$LINK: CHEBI CHEBI:30913 CH$LINK: KEGG C00408 CH$LINK: NIKKAJI J215.717I -CH$LINK: PUBCHEM SID:3698 +CH$LINK: PUBCHEM CID:439227 CH$LINK: INCHIKEY HXEACLLIILLPRG-YFKPBYRVSA-N AC$INSTRUMENT: API3000, Applied Biosystems AC$INSTRUMENT_TYPE: LC-ESI-QQ diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO001635.txt b/Keio_Univ/MSBNK-Keio_Univ-KO001635.txt index 5b4b3b71e7f..69e60019740 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO001635.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO001635.txt @@ -19,7 +19,7 @@ CH$LINK: CAS 3105-95-1 CH$LINK: CHEBI CHEBI:30913 CH$LINK: KEGG C00408 CH$LINK: NIKKAJI J215.717I -CH$LINK: PUBCHEM SID:3698 +CH$LINK: PUBCHEM CID:439227 CH$LINK: INCHIKEY HXEACLLIILLPRG-YFKPBYRVSA-N AC$INSTRUMENT: API3000, Applied Biosystems AC$INSTRUMENT_TYPE: LC-ESI-QQ diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO001636.txt b/Keio_Univ/MSBNK-Keio_Univ-KO001636.txt index c5e86dba661..89a5e16efef 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO001636.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO001636.txt @@ -15,7 +15,7 @@ CH$LINK: CAS 65-23-6 CH$LINK: CHEBI CHEBI:16709 CH$LINK: KEGG C00314 CH$LINK: NIKKAJI J2.356F -CH$LINK: PUBCHEM SID:3608 +CH$LINK: PUBCHEM CID:1054 CH$LINK: INCHIKEY LXNHXLLTXMVWPM-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID4023541 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO001637.txt b/Keio_Univ/MSBNK-Keio_Univ-KO001637.txt index e30137d3c2e..eea83c3da7c 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO001637.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO001637.txt @@ -15,7 +15,7 @@ CH$LINK: CAS 65-23-6 CH$LINK: CHEBI CHEBI:16709 CH$LINK: KEGG C00314 CH$LINK: NIKKAJI J2.356F -CH$LINK: PUBCHEM SID:3608 +CH$LINK: PUBCHEM CID:1054 CH$LINK: INCHIKEY LXNHXLLTXMVWPM-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID4023541 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO001638.txt b/Keio_Univ/MSBNK-Keio_Univ-KO001638.txt index 76a2e0996a0..54644391c24 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO001638.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO001638.txt @@ -15,7 +15,7 @@ CH$LINK: CAS 65-23-6 CH$LINK: CHEBI CHEBI:16709 CH$LINK: KEGG C00314 CH$LINK: NIKKAJI J2.356F -CH$LINK: PUBCHEM SID:3608 +CH$LINK: PUBCHEM CID:1054 CH$LINK: INCHIKEY LXNHXLLTXMVWPM-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID4023541 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO001639.txt b/Keio_Univ/MSBNK-Keio_Univ-KO001639.txt index c373cb16d64..73cb943c281 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO001639.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO001639.txt @@ -15,7 +15,7 @@ CH$LINK: CAS 65-23-6 CH$LINK: CHEBI CHEBI:16709 CH$LINK: KEGG C00314 CH$LINK: NIKKAJI J2.356F -CH$LINK: PUBCHEM SID:3608 +CH$LINK: PUBCHEM CID:1054 CH$LINK: INCHIKEY LXNHXLLTXMVWPM-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID4023541 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO001640.txt b/Keio_Univ/MSBNK-Keio_Univ-KO001640.txt index b6b2bbf0f65..5e9254da1ce 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO001640.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO001640.txt @@ -15,7 +15,7 @@ CH$LINK: CAS 65-23-6 CH$LINK: CHEBI CHEBI:16709 CH$LINK: KEGG C00314 CH$LINK: NIKKAJI J2.356F -CH$LINK: PUBCHEM SID:3608 +CH$LINK: PUBCHEM CID:1054 CH$LINK: INCHIKEY LXNHXLLTXMVWPM-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID4023541 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO001641.txt b/Keio_Univ/MSBNK-Keio_Univ-KO001641.txt index 8d68a7a005c..bf8e59e018c 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO001641.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO001641.txt @@ -13,7 +13,7 @@ CH$IUPAC: InChI=1S/C7H10N2OS/c1-2-3-5-4-6(10)9-7(11)8-5/h4H,2-3H2,1H3,(H2,8,9,10 CH$LINK: CAS 51-52-5 CH$LINK: KEGG C07569 CH$LINK: NIKKAJI J1.363C -CH$LINK: PUBCHEM SID:9772 +CH$LINK: PUBCHEM CID:657298 CH$LINK: INCHIKEY KNAHARQHSZJURB-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID5021209 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO001642.txt b/Keio_Univ/MSBNK-Keio_Univ-KO001642.txt index 4b1047da9ab..abef39fd82c 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO001642.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO001642.txt @@ -13,7 +13,7 @@ CH$IUPAC: InChI=1S/C7H10N2OS/c1-2-3-5-4-6(10)9-7(11)8-5/h4H,2-3H2,1H3,(H2,8,9,10 CH$LINK: CAS 51-52-5 CH$LINK: KEGG C07569 CH$LINK: NIKKAJI J1.363C -CH$LINK: PUBCHEM SID:9772 +CH$LINK: PUBCHEM CID:657298 CH$LINK: INCHIKEY KNAHARQHSZJURB-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID5021209 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO001643.txt b/Keio_Univ/MSBNK-Keio_Univ-KO001643.txt index f1cb92a351a..f93b8a1b3fa 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO001643.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO001643.txt @@ -13,7 +13,7 @@ CH$IUPAC: InChI=1S/C7H10N2OS/c1-2-3-5-4-6(10)9-7(11)8-5/h4H,2-3H2,1H3,(H2,8,9,10 CH$LINK: CAS 51-52-5 CH$LINK: KEGG C07569 CH$LINK: NIKKAJI J1.363C -CH$LINK: PUBCHEM SID:9772 +CH$LINK: PUBCHEM CID:657298 CH$LINK: INCHIKEY KNAHARQHSZJURB-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID5021209 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO001644.txt b/Keio_Univ/MSBNK-Keio_Univ-KO001644.txt index d79b73f27db..3d5ea7e0074 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO001644.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO001644.txt @@ -13,7 +13,7 @@ CH$IUPAC: InChI=1S/C7H10N2OS/c1-2-3-5-4-6(10)9-7(11)8-5/h4H,2-3H2,1H3,(H2,8,9,10 CH$LINK: CAS 51-52-5 CH$LINK: KEGG C07569 CH$LINK: NIKKAJI J1.363C -CH$LINK: PUBCHEM SID:9772 +CH$LINK: PUBCHEM CID:657298 CH$LINK: INCHIKEY KNAHARQHSZJURB-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID5021209 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO001645.txt b/Keio_Univ/MSBNK-Keio_Univ-KO001645.txt index 2796903523a..3975d26ea71 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO001645.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO001645.txt @@ -13,7 +13,7 @@ CH$IUPAC: InChI=1S/C7H10N2OS/c1-2-3-5-4-6(10)9-7(11)8-5/h4H,2-3H2,1H3,(H2,8,9,10 CH$LINK: CAS 51-52-5 CH$LINK: KEGG C07569 CH$LINK: NIKKAJI J1.363C -CH$LINK: PUBCHEM SID:9772 +CH$LINK: PUBCHEM CID:657298 CH$LINK: INCHIKEY KNAHARQHSZJURB-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID5021209 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO001646.txt b/Keio_Univ/MSBNK-Keio_Univ-KO001646.txt index d17ecbab072..408518bac84 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO001646.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO001646.txt @@ -14,7 +14,7 @@ CH$IUPAC: InChI=1S/C9H13NO2/c1-10-6-9(12)7-3-2-4-8(11)5-7/h2-5,9-12H,6H2,1H3/t9- CH$LINK: CAS 59-42-7 CH$LINK: KEGG C07441 CH$LINK: NIKKAJI J8.601K -CH$LINK: PUBCHEM SID:9645 +CH$LINK: PUBCHEM CID:6041 CH$LINK: INCHIKEY SONNWYBIRXJNDC-VIFPVBQESA-N CH$LINK: COMPTOX DTXSID9023465 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO001647.txt b/Keio_Univ/MSBNK-Keio_Univ-KO001647.txt index 06488cb13e3..da654d2f70c 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO001647.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO001647.txt @@ -14,7 +14,7 @@ CH$IUPAC: InChI=1S/C9H13NO2/c1-10-6-9(12)7-3-2-4-8(11)5-7/h2-5,9-12H,6H2,1H3/t9- CH$LINK: CAS 59-42-7 CH$LINK: KEGG C07441 CH$LINK: NIKKAJI J8.601K -CH$LINK: PUBCHEM SID:9645 +CH$LINK: PUBCHEM CID:6041 CH$LINK: INCHIKEY SONNWYBIRXJNDC-VIFPVBQESA-N CH$LINK: COMPTOX DTXSID9023465 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO001648.txt b/Keio_Univ/MSBNK-Keio_Univ-KO001648.txt index e89a8302a7c..a22cdd8026c 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO001648.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO001648.txt @@ -14,7 +14,7 @@ CH$IUPAC: InChI=1S/C9H13NO2/c1-10-6-9(12)7-3-2-4-8(11)5-7/h2-5,9-12H,6H2,1H3/t9- CH$LINK: CAS 59-42-7 CH$LINK: KEGG C07441 CH$LINK: NIKKAJI J8.601K -CH$LINK: PUBCHEM SID:9645 +CH$LINK: PUBCHEM CID:6041 CH$LINK: INCHIKEY SONNWYBIRXJNDC-VIFPVBQESA-N CH$LINK: COMPTOX DTXSID9023465 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO001649.txt b/Keio_Univ/MSBNK-Keio_Univ-KO001649.txt index 82d5ae10cb7..f8191f09fd3 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO001649.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO001649.txt @@ -14,7 +14,7 @@ CH$IUPAC: InChI=1S/C9H13NO2/c1-10-6-9(12)7-3-2-4-8(11)5-7/h2-5,9-12H,6H2,1H3/t9- CH$LINK: CAS 59-42-7 CH$LINK: KEGG C07441 CH$LINK: NIKKAJI J8.601K -CH$LINK: PUBCHEM SID:9645 +CH$LINK: PUBCHEM CID:6041 CH$LINK: INCHIKEY SONNWYBIRXJNDC-VIFPVBQESA-N CH$LINK: COMPTOX DTXSID9023465 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO001650.txt b/Keio_Univ/MSBNK-Keio_Univ-KO001650.txt index 4cfbf9e8f11..35ab428f696 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO001650.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO001650.txt @@ -14,7 +14,7 @@ CH$IUPAC: InChI=1S/C9H13NO2/c1-10-6-9(12)7-3-2-4-8(11)5-7/h2-5,9-12H,6H2,1H3/t9- CH$LINK: CAS 59-42-7 CH$LINK: KEGG C07441 CH$LINK: NIKKAJI J8.601K -CH$LINK: PUBCHEM SID:9645 +CH$LINK: PUBCHEM CID:6041 CH$LINK: INCHIKEY SONNWYBIRXJNDC-VIFPVBQESA-N CH$LINK: COMPTOX DTXSID9023465 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO001651.txt b/Keio_Univ/MSBNK-Keio_Univ-KO001651.txt index ea9500a1d76..75bcccf67c3 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO001651.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO001651.txt @@ -16,7 +16,7 @@ CH$IUPAC: InChI=1S/C7H12O4/c8-6(9)4-2-1-3-5-7(10)11/h1-5H2,(H,8,9)(H,10,11) CH$LINK: CAS 111-16-0 CH$LINK: KEGG C02656 CH$LINK: NIKKAJI J5.105E -CH$LINK: PUBCHEM SID:5629 +CH$LINK: PUBCHEM CID:385 CH$LINK: INCHIKEY WLJVNTCWHIRURA-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID5021598 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO001652.txt b/Keio_Univ/MSBNK-Keio_Univ-KO001652.txt index 8dbb40dd636..12162f4a091 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO001652.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO001652.txt @@ -16,7 +16,7 @@ CH$IUPAC: InChI=1S/C7H12O4/c8-6(9)4-2-1-3-5-7(10)11/h1-5H2,(H,8,9)(H,10,11) CH$LINK: CAS 111-16-0 CH$LINK: KEGG C02656 CH$LINK: NIKKAJI J5.105E -CH$LINK: PUBCHEM SID:5629 +CH$LINK: PUBCHEM CID:385 CH$LINK: INCHIKEY WLJVNTCWHIRURA-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID5021598 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO001653.txt b/Keio_Univ/MSBNK-Keio_Univ-KO001653.txt index 03ce230468d..8b4189d3713 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO001653.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO001653.txt @@ -16,7 +16,7 @@ CH$IUPAC: InChI=1S/C7H12O4/c8-6(9)4-2-1-3-5-7(10)11/h1-5H2,(H,8,9)(H,10,11) CH$LINK: CAS 111-16-0 CH$LINK: KEGG C02656 CH$LINK: NIKKAJI J5.105E -CH$LINK: PUBCHEM SID:5629 +CH$LINK: PUBCHEM CID:385 CH$LINK: INCHIKEY WLJVNTCWHIRURA-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID5021598 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO001654.txt b/Keio_Univ/MSBNK-Keio_Univ-KO001654.txt index fdbf810f76e..b5f4fd52fc4 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO001654.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO001654.txt @@ -16,7 +16,7 @@ CH$IUPAC: InChI=1S/C7H12O4/c8-6(9)4-2-1-3-5-7(10)11/h1-5H2,(H,8,9)(H,10,11) CH$LINK: CAS 111-16-0 CH$LINK: KEGG C02656 CH$LINK: NIKKAJI J5.105E -CH$LINK: PUBCHEM SID:5629 +CH$LINK: PUBCHEM CID:385 CH$LINK: INCHIKEY WLJVNTCWHIRURA-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID5021598 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO001655.txt b/Keio_Univ/MSBNK-Keio_Univ-KO001655.txt index 60cbd2fc173..c20e9a11462 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO001655.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO001655.txt @@ -16,7 +16,7 @@ CH$IUPAC: InChI=1S/C7H12O4/c8-6(9)4-2-1-3-5-7(10)11/h1-5H2,(H,8,9)(H,10,11) CH$LINK: CAS 111-16-0 CH$LINK: KEGG C02656 CH$LINK: NIKKAJI J5.105E -CH$LINK: PUBCHEM SID:5629 +CH$LINK: PUBCHEM CID:385 CH$LINK: INCHIKEY WLJVNTCWHIRURA-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID5021598 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO001661.txt b/Keio_Univ/MSBNK-Keio_Univ-KO001661.txt index ab7d5c83c1b..7ecd4461cbd 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO001661.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO001661.txt @@ -16,7 +16,7 @@ CH$LINK: CAS 2238-90-6 CH$LINK: CHEBI CHEBI:16874 CH$LINK: KEGG C01747 CH$LINK: NIKKAJI J39.570F -CH$LINK: PUBCHEM SID:4881 +CH$LINK: PUBCHEM CID:5280458 CH$LINK: INCHIKEY HHJTWTPUPVQKNA-PIIMIWFASA-N AC$INSTRUMENT: API3000, Applied Biosystems AC$INSTRUMENT_TYPE: LC-ESI-QQ diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO001662.txt b/Keio_Univ/MSBNK-Keio_Univ-KO001662.txt index cb353f27037..ce2405a1b6c 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO001662.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO001662.txt @@ -16,7 +16,7 @@ CH$LINK: CAS 2238-90-6 CH$LINK: CHEBI CHEBI:16874 CH$LINK: KEGG C01747 CH$LINK: NIKKAJI J39.570F -CH$LINK: PUBCHEM SID:4881 +CH$LINK: PUBCHEM CID:5280458 CH$LINK: INCHIKEY HHJTWTPUPVQKNA-PIIMIWFASA-N AC$INSTRUMENT: API3000, Applied Biosystems AC$INSTRUMENT_TYPE: LC-ESI-QQ diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO001663.txt b/Keio_Univ/MSBNK-Keio_Univ-KO001663.txt index e754345dd87..900f90c0893 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO001663.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO001663.txt @@ -16,7 +16,7 @@ CH$LINK: CAS 2238-90-6 CH$LINK: CHEBI CHEBI:16874 CH$LINK: KEGG C01747 CH$LINK: NIKKAJI J39.570F -CH$LINK: PUBCHEM SID:4881 +CH$LINK: PUBCHEM CID:5280458 CH$LINK: INCHIKEY HHJTWTPUPVQKNA-PIIMIWFASA-N AC$INSTRUMENT: API3000, Applied Biosystems AC$INSTRUMENT_TYPE: LC-ESI-QQ diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO001664.txt b/Keio_Univ/MSBNK-Keio_Univ-KO001664.txt index 33f85881975..b0be4af8d9f 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO001664.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO001664.txt @@ -16,7 +16,7 @@ CH$LINK: CAS 2238-90-6 CH$LINK: CHEBI CHEBI:16874 CH$LINK: KEGG C01747 CH$LINK: NIKKAJI J39.570F -CH$LINK: PUBCHEM SID:4881 +CH$LINK: PUBCHEM CID:5280458 CH$LINK: INCHIKEY HHJTWTPUPVQKNA-PIIMIWFASA-N AC$INSTRUMENT: API3000, Applied Biosystems AC$INSTRUMENT_TYPE: LC-ESI-QQ diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO001665.txt b/Keio_Univ/MSBNK-Keio_Univ-KO001665.txt index 10ec8b081b7..5e641442bad 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO001665.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO001665.txt @@ -16,7 +16,7 @@ CH$LINK: CAS 2238-90-6 CH$LINK: CHEBI CHEBI:16874 CH$LINK: KEGG C01747 CH$LINK: NIKKAJI J39.570F -CH$LINK: PUBCHEM SID:4881 +CH$LINK: PUBCHEM CID:5280458 CH$LINK: INCHIKEY HHJTWTPUPVQKNA-PIIMIWFASA-N AC$INSTRUMENT: API3000, Applied Biosystems AC$INSTRUMENT_TYPE: LC-ESI-QQ diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO001666.txt b/Keio_Univ/MSBNK-Keio_Univ-KO001666.txt index c10ad9dbb74..7109df15b68 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO001666.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO001666.txt @@ -13,7 +13,7 @@ CH$IUPAC: InChI=1S/C15H13N3O4S/c1-18-13(15(20)17-12-8-4-5-9-16-12)14(19)10-6-2-3 CH$LINK: CAS 36322-90-4 CH$LINK: KEGG C01608 CH$LINK: NIKKAJI J3.498C -CH$LINK: PUBCHEM SID:4761 +CH$LINK: PUBCHEM CID:54676228 CH$LINK: INCHIKEY QYSPLQLAKJAUJT-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID5021170 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO001667.txt b/Keio_Univ/MSBNK-Keio_Univ-KO001667.txt index 2d232acc563..3ace7cf5254 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO001667.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO001667.txt @@ -13,7 +13,7 @@ CH$IUPAC: InChI=1S/C15H13N3O4S/c1-18-13(15(20)17-12-8-4-5-9-16-12)14(19)10-6-2-3 CH$LINK: CAS 36322-90-4 CH$LINK: KEGG C01608 CH$LINK: NIKKAJI J3.498C -CH$LINK: PUBCHEM SID:4761 +CH$LINK: PUBCHEM CID:54676228 CH$LINK: INCHIKEY QYSPLQLAKJAUJT-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID5021170 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO001668.txt b/Keio_Univ/MSBNK-Keio_Univ-KO001668.txt index 073b0de4889..73b0cc9a2fa 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO001668.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO001668.txt @@ -13,7 +13,7 @@ CH$IUPAC: InChI=1S/C15H13N3O4S/c1-18-13(15(20)17-12-8-4-5-9-16-12)14(19)10-6-2-3 CH$LINK: CAS 36322-90-4 CH$LINK: KEGG C01608 CH$LINK: NIKKAJI J3.498C -CH$LINK: PUBCHEM SID:4761 +CH$LINK: PUBCHEM CID:54676228 CH$LINK: INCHIKEY QYSPLQLAKJAUJT-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID5021170 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO001669.txt b/Keio_Univ/MSBNK-Keio_Univ-KO001669.txt index d79593e902a..5d2e1b79d8c 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO001669.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO001669.txt @@ -13,7 +13,7 @@ CH$IUPAC: InChI=1S/C15H13N3O4S/c1-18-13(15(20)17-12-8-4-5-9-16-12)14(19)10-6-2-3 CH$LINK: CAS 36322-90-4 CH$LINK: KEGG C01608 CH$LINK: NIKKAJI J3.498C -CH$LINK: PUBCHEM SID:4761 +CH$LINK: PUBCHEM CID:54676228 CH$LINK: INCHIKEY QYSPLQLAKJAUJT-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID5021170 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO001670.txt b/Keio_Univ/MSBNK-Keio_Univ-KO001670.txt index 9b8ffb70a47..e1b543e92d1 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO001670.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO001670.txt @@ -13,7 +13,7 @@ CH$IUPAC: InChI=1S/C15H13N3O4S/c1-18-13(15(20)17-12-8-4-5-9-16-12)14(19)10-6-2-3 CH$LINK: CAS 36322-90-4 CH$LINK: KEGG C01608 CH$LINK: NIKKAJI J3.498C -CH$LINK: PUBCHEM SID:4761 +CH$LINK: PUBCHEM CID:54676228 CH$LINK: INCHIKEY QYSPLQLAKJAUJT-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID5021170 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO001671.txt b/Keio_Univ/MSBNK-Keio_Univ-KO001671.txt index 96c89d69c9e..0ae724d928f 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO001671.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO001671.txt @@ -17,7 +17,7 @@ CH$LINK: CAS 112-05-0 CH$LINK: CHEBI CHEBI:29019 CH$LINK: KEGG C01601 CH$LINK: NIKKAJI J1.991G -CH$LINK: PUBCHEM SID:4755 +CH$LINK: PUBCHEM CID:8158 CH$LINK: INCHIKEY FBUKVWPVBMHYJY-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID3021641 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO001672.txt b/Keio_Univ/MSBNK-Keio_Univ-KO001672.txt index f508042b1aa..f7d0ce66e28 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO001672.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO001672.txt @@ -17,7 +17,7 @@ CH$LINK: CAS 112-05-0 CH$LINK: CHEBI CHEBI:29019 CH$LINK: KEGG C01601 CH$LINK: NIKKAJI J1.991G -CH$LINK: PUBCHEM SID:4755 +CH$LINK: PUBCHEM CID:8158 CH$LINK: INCHIKEY FBUKVWPVBMHYJY-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID3021641 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO001673.txt b/Keio_Univ/MSBNK-Keio_Univ-KO001673.txt index acfe1cd1ec0..5082f774836 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO001673.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO001673.txt @@ -17,7 +17,7 @@ CH$LINK: CAS 112-05-0 CH$LINK: CHEBI CHEBI:29019 CH$LINK: KEGG C01601 CH$LINK: NIKKAJI J1.991G -CH$LINK: PUBCHEM SID:4755 +CH$LINK: PUBCHEM CID:8158 CH$LINK: INCHIKEY FBUKVWPVBMHYJY-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID3021641 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO001674.txt b/Keio_Univ/MSBNK-Keio_Univ-KO001674.txt index d44e49829b6..cb437059527 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO001674.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO001674.txt @@ -17,7 +17,7 @@ CH$LINK: CAS 112-05-0 CH$LINK: CHEBI CHEBI:29019 CH$LINK: KEGG C01601 CH$LINK: NIKKAJI J1.991G -CH$LINK: PUBCHEM SID:4755 +CH$LINK: PUBCHEM CID:8158 CH$LINK: INCHIKEY FBUKVWPVBMHYJY-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID3021641 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO001675.txt b/Keio_Univ/MSBNK-Keio_Univ-KO001675.txt index ef426c5919c..b1c5dd672b0 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO001675.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO001675.txt @@ -17,7 +17,7 @@ CH$LINK: CAS 112-05-0 CH$LINK: CHEBI CHEBI:29019 CH$LINK: KEGG C01601 CH$LINK: NIKKAJI J1.991G -CH$LINK: PUBCHEM SID:4755 +CH$LINK: PUBCHEM CID:8158 CH$LINK: INCHIKEY FBUKVWPVBMHYJY-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID3021641 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO001676.txt b/Keio_Univ/MSBNK-Keio_Univ-KO001676.txt index 159c84559c4..d76a7071c70 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO001676.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO001676.txt @@ -18,7 +18,7 @@ CH$LINK: CAS 495-78-3 CH$LINK: CHEBI CHEBI:16104 CH$LINK: KEGG C01198 CH$LINK: NIKKAJI J6.083F -CH$LINK: PUBCHEM SID:4423 +CH$LINK: PUBCHEM CID:873 CH$LINK: INCHIKEY CJBDUOMQLFKVQC-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID2075421 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO001677.txt b/Keio_Univ/MSBNK-Keio_Univ-KO001677.txt index 1b5b290a21e..f0eaabad0d6 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO001677.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO001677.txt @@ -18,7 +18,7 @@ CH$LINK: CAS 495-78-3 CH$LINK: CHEBI CHEBI:16104 CH$LINK: KEGG C01198 CH$LINK: NIKKAJI J6.083F -CH$LINK: PUBCHEM SID:4423 +CH$LINK: PUBCHEM CID:873 CH$LINK: INCHIKEY CJBDUOMQLFKVQC-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID2075421 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO001678.txt b/Keio_Univ/MSBNK-Keio_Univ-KO001678.txt index 2950618f668..f4e352d8016 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO001678.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO001678.txt @@ -18,7 +18,7 @@ CH$LINK: CAS 495-78-3 CH$LINK: CHEBI CHEBI:16104 CH$LINK: KEGG C01198 CH$LINK: NIKKAJI J6.083F -CH$LINK: PUBCHEM SID:4423 +CH$LINK: PUBCHEM CID:873 CH$LINK: INCHIKEY CJBDUOMQLFKVQC-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID2075421 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO001679.txt b/Keio_Univ/MSBNK-Keio_Univ-KO001679.txt index c6107672d89..394fba66e99 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO001679.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO001679.txt @@ -18,7 +18,7 @@ CH$LINK: CAS 495-78-3 CH$LINK: CHEBI CHEBI:16104 CH$LINK: KEGG C01198 CH$LINK: NIKKAJI J6.083F -CH$LINK: PUBCHEM SID:4423 +CH$LINK: PUBCHEM CID:873 CH$LINK: INCHIKEY CJBDUOMQLFKVQC-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID2075421 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO001680.txt b/Keio_Univ/MSBNK-Keio_Univ-KO001680.txt index 5e16e07119d..67733a59961 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO001680.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO001680.txt @@ -18,7 +18,7 @@ CH$LINK: CAS 495-78-3 CH$LINK: CHEBI CHEBI:16104 CH$LINK: KEGG C01198 CH$LINK: NIKKAJI J6.083F -CH$LINK: PUBCHEM SID:4423 +CH$LINK: PUBCHEM CID:873 CH$LINK: INCHIKEY CJBDUOMQLFKVQC-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID2075421 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO001681.txt b/Keio_Univ/MSBNK-Keio_Univ-KO001681.txt index 2249aba0b97..1ce3aec1908 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO001681.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO001681.txt @@ -18,7 +18,7 @@ CH$IUPAC: InChI=1S/C5H7NO3/c7-4-2-1-3(6-4)5(8)9/h3H,1-2H2,(H,6,7)(H,8,9)/t3-/m0/ CH$LINK: CAS 98-79-3 CH$LINK: KEGG C01879 CH$LINK: NIKKAJI J4.959J -CH$LINK: PUBCHEM SID:4992 +CH$LINK: PUBCHEM CID:7405 CH$LINK: INCHIKEY ODHCTXKNWHHXJC-VKHMYHEASA-N CH$LINK: COMPTOX DTXSID6046260 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO001682.txt b/Keio_Univ/MSBNK-Keio_Univ-KO001682.txt index c6233c470c5..174f54c6ef8 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO001682.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO001682.txt @@ -18,7 +18,7 @@ CH$IUPAC: InChI=1S/C5H7NO3/c7-4-2-1-3(6-4)5(8)9/h3H,1-2H2,(H,6,7)(H,8,9)/t3-/m0/ CH$LINK: CAS 98-79-3 CH$LINK: KEGG C01879 CH$LINK: NIKKAJI J4.959J -CH$LINK: PUBCHEM SID:4992 +CH$LINK: PUBCHEM CID:7405 CH$LINK: INCHIKEY ODHCTXKNWHHXJC-VKHMYHEASA-N CH$LINK: COMPTOX DTXSID6046260 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO001683.txt b/Keio_Univ/MSBNK-Keio_Univ-KO001683.txt index b1bbb8a7de7..afe80ed1920 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO001683.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO001683.txt @@ -18,7 +18,7 @@ CH$IUPAC: InChI=1S/C5H7NO3/c7-4-2-1-3(6-4)5(8)9/h3H,1-2H2,(H,6,7)(H,8,9)/t3-/m0/ CH$LINK: CAS 98-79-3 CH$LINK: KEGG C01879 CH$LINK: NIKKAJI J4.959J -CH$LINK: PUBCHEM SID:4992 +CH$LINK: PUBCHEM CID:7405 CH$LINK: INCHIKEY ODHCTXKNWHHXJC-VKHMYHEASA-N CH$LINK: COMPTOX DTXSID6046260 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO001684.txt b/Keio_Univ/MSBNK-Keio_Univ-KO001684.txt index 63f430f6517..a691cabfa8b 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO001684.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO001684.txt @@ -18,7 +18,7 @@ CH$IUPAC: InChI=1S/C5H7NO3/c7-4-2-1-3(6-4)5(8)9/h3H,1-2H2,(H,6,7)(H,8,9)/t3-/m0/ CH$LINK: CAS 98-79-3 CH$LINK: KEGG C01879 CH$LINK: NIKKAJI J4.959J -CH$LINK: PUBCHEM SID:4992 +CH$LINK: PUBCHEM CID:7405 CH$LINK: INCHIKEY ODHCTXKNWHHXJC-VKHMYHEASA-N CH$LINK: COMPTOX DTXSID6046260 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO001685.txt b/Keio_Univ/MSBNK-Keio_Univ-KO001685.txt index 046fdcd930a..95b9ffdebfb 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO001685.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO001685.txt @@ -18,7 +18,7 @@ CH$IUPAC: InChI=1S/C5H7NO3/c7-4-2-1-3(6-4)5(8)9/h3H,1-2H2,(H,6,7)(H,8,9)/t3-/m0/ CH$LINK: CAS 98-79-3 CH$LINK: KEGG C01879 CH$LINK: NIKKAJI J4.959J -CH$LINK: PUBCHEM SID:4992 +CH$LINK: PUBCHEM CID:7405 CH$LINK: INCHIKEY ODHCTXKNWHHXJC-VKHMYHEASA-N CH$LINK: COMPTOX DTXSID6046260 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO001686.txt b/Keio_Univ/MSBNK-Keio_Univ-KO001686.txt index 678fcb92d7b..8cc1590073f 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO001686.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO001686.txt @@ -14,7 +14,7 @@ CH$LINK: CAS 53-79-2 CH$LINK: CHEBI CHEBI:17939 CH$LINK: KEGG C01610 CH$LINK: NIKKAJI J2.310H -CH$LINK: PUBCHEM SID:4763 +CH$LINK: PUBCHEM CID:439530 CH$LINK: INCHIKEY RXWNCPJZOCPEPQ-NVWDDTSBSA-N CH$LINK: COMPTOX DTXSID8036788 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO001687.txt b/Keio_Univ/MSBNK-Keio_Univ-KO001687.txt index a1e1a33e008..75d6fb9fa31 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO001687.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO001687.txt @@ -14,7 +14,7 @@ CH$LINK: CAS 53-79-2 CH$LINK: CHEBI CHEBI:17939 CH$LINK: KEGG C01610 CH$LINK: NIKKAJI J2.310H -CH$LINK: PUBCHEM SID:4763 +CH$LINK: PUBCHEM CID:439530 CH$LINK: INCHIKEY RXWNCPJZOCPEPQ-NVWDDTSBSA-N CH$LINK: COMPTOX DTXSID8036788 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO001688.txt b/Keio_Univ/MSBNK-Keio_Univ-KO001688.txt index 1d2f82763ef..71b6fd293ad 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO001688.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO001688.txt @@ -14,7 +14,7 @@ CH$LINK: CAS 53-79-2 CH$LINK: CHEBI CHEBI:17939 CH$LINK: KEGG C01610 CH$LINK: NIKKAJI J2.310H -CH$LINK: PUBCHEM SID:4763 +CH$LINK: PUBCHEM CID:439530 CH$LINK: INCHIKEY RXWNCPJZOCPEPQ-NVWDDTSBSA-N CH$LINK: COMPTOX DTXSID8036788 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO001689.txt b/Keio_Univ/MSBNK-Keio_Univ-KO001689.txt index ae1def4a0fd..966e3e4343f 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO001689.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO001689.txt @@ -14,7 +14,7 @@ CH$LINK: CAS 53-79-2 CH$LINK: CHEBI CHEBI:17939 CH$LINK: KEGG C01610 CH$LINK: NIKKAJI J2.310H -CH$LINK: PUBCHEM SID:4763 +CH$LINK: PUBCHEM CID:439530 CH$LINK: INCHIKEY RXWNCPJZOCPEPQ-NVWDDTSBSA-N CH$LINK: COMPTOX DTXSID8036788 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO001690.txt b/Keio_Univ/MSBNK-Keio_Univ-KO001690.txt index f217b5aecd1..d0c637639e2 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO001690.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO001690.txt @@ -14,7 +14,7 @@ CH$LINK: CAS 53-79-2 CH$LINK: CHEBI CHEBI:17939 CH$LINK: KEGG C01610 CH$LINK: NIKKAJI J2.310H -CH$LINK: PUBCHEM SID:4763 +CH$LINK: PUBCHEM CID:439530 CH$LINK: INCHIKEY RXWNCPJZOCPEPQ-NVWDDTSBSA-N CH$LINK: COMPTOX DTXSID8036788 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO001691.txt b/Keio_Univ/MSBNK-Keio_Univ-KO001691.txt index 794314dc616..add8e40fa40 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO001691.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO001691.txt @@ -17,7 +17,7 @@ CH$LINK: CHEBI CHEBI:29069 CH$LINK: CHEMPDB PHT CH$LINK: KEGG C01606 CH$LINK: NIKKAJI J3.547E -CH$LINK: PUBCHEM SID:4759 +CH$LINK: PUBCHEM CID:1017 CH$LINK: INCHIKEY XNGIFLGASWRNHJ-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID8021484 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO001692.txt b/Keio_Univ/MSBNK-Keio_Univ-KO001692.txt index d207404b2a0..51ed4f7e521 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO001692.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO001692.txt @@ -17,7 +17,7 @@ CH$LINK: CHEBI CHEBI:29069 CH$LINK: CHEMPDB PHT CH$LINK: KEGG C01606 CH$LINK: NIKKAJI J3.547E -CH$LINK: PUBCHEM SID:4759 +CH$LINK: PUBCHEM CID:1017 CH$LINK: INCHIKEY XNGIFLGASWRNHJ-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID8021484 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO001693.txt b/Keio_Univ/MSBNK-Keio_Univ-KO001693.txt index 2e97a1b74f6..d36833b6b34 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO001693.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO001693.txt @@ -17,7 +17,7 @@ CH$LINK: CHEBI CHEBI:29069 CH$LINK: CHEMPDB PHT CH$LINK: KEGG C01606 CH$LINK: NIKKAJI J3.547E -CH$LINK: PUBCHEM SID:4759 +CH$LINK: PUBCHEM CID:1017 CH$LINK: INCHIKEY XNGIFLGASWRNHJ-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID8021484 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO001694.txt b/Keio_Univ/MSBNK-Keio_Univ-KO001694.txt index a69aadaf172..f7949a17936 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO001694.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO001694.txt @@ -17,7 +17,7 @@ CH$LINK: CHEBI CHEBI:29069 CH$LINK: CHEMPDB PHT CH$LINK: KEGG C01606 CH$LINK: NIKKAJI J3.547E -CH$LINK: PUBCHEM SID:4759 +CH$LINK: PUBCHEM CID:1017 CH$LINK: INCHIKEY XNGIFLGASWRNHJ-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID8021484 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO001695.txt b/Keio_Univ/MSBNK-Keio_Univ-KO001695.txt index ecdecded6f2..b1a12fce345 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO001695.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO001695.txt @@ -17,7 +17,7 @@ CH$LINK: CHEBI CHEBI:29069 CH$LINK: CHEMPDB PHT CH$LINK: KEGG C01606 CH$LINK: NIKKAJI J3.547E -CH$LINK: PUBCHEM SID:4759 +CH$LINK: PUBCHEM CID:1017 CH$LINK: INCHIKEY XNGIFLGASWRNHJ-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID8021484 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO001696.txt b/Keio_Univ/MSBNK-Keio_Univ-KO001696.txt index f6fe952c506..c12e2c84217 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO001696.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO001696.txt @@ -17,7 +17,7 @@ CH$LINK: CAS 4042-36-8 CH$LINK: CHEBI CHEBI:16924 CH$LINK: KEGG C02237 CH$LINK: NIKKAJI J53.019K -CH$LINK: PUBCHEM SID:5301 +CH$LINK: PUBCHEM CID:439685 CH$LINK: INCHIKEY ODHCTXKNWHHXJC-GSVOUGTGSA-N CH$LINK: COMPTOX DTXSID10193432 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO001697.txt b/Keio_Univ/MSBNK-Keio_Univ-KO001697.txt index f0c9828b2b8..ad00fe5b059 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO001697.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO001697.txt @@ -17,7 +17,7 @@ CH$LINK: CAS 4042-36-8 CH$LINK: CHEBI CHEBI:16924 CH$LINK: KEGG C02237 CH$LINK: NIKKAJI J53.019K -CH$LINK: PUBCHEM SID:5301 +CH$LINK: PUBCHEM CID:439685 CH$LINK: INCHIKEY ODHCTXKNWHHXJC-GSVOUGTGSA-N CH$LINK: COMPTOX DTXSID10193432 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO001698.txt b/Keio_Univ/MSBNK-Keio_Univ-KO001698.txt index ed8aeafc8cb..08d014a1997 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO001698.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO001698.txt @@ -17,7 +17,7 @@ CH$LINK: CAS 4042-36-8 CH$LINK: CHEBI CHEBI:16924 CH$LINK: KEGG C02237 CH$LINK: NIKKAJI J53.019K -CH$LINK: PUBCHEM SID:5301 +CH$LINK: PUBCHEM CID:439685 CH$LINK: INCHIKEY ODHCTXKNWHHXJC-GSVOUGTGSA-N CH$LINK: COMPTOX DTXSID10193432 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO001699.txt b/Keio_Univ/MSBNK-Keio_Univ-KO001699.txt index 1ba5f85cb97..62ac7437f85 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO001699.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO001699.txt @@ -17,7 +17,7 @@ CH$LINK: CAS 4042-36-8 CH$LINK: CHEBI CHEBI:16924 CH$LINK: KEGG C02237 CH$LINK: NIKKAJI J53.019K -CH$LINK: PUBCHEM SID:5301 +CH$LINK: PUBCHEM CID:439685 CH$LINK: INCHIKEY ODHCTXKNWHHXJC-GSVOUGTGSA-N CH$LINK: COMPTOX DTXSID10193432 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO001700.txt b/Keio_Univ/MSBNK-Keio_Univ-KO001700.txt index 0a6d718573e..d8fc2fe5ff8 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO001700.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO001700.txt @@ -17,7 +17,7 @@ CH$LINK: CAS 4042-36-8 CH$LINK: CHEBI CHEBI:16924 CH$LINK: KEGG C02237 CH$LINK: NIKKAJI J53.019K -CH$LINK: PUBCHEM SID:5301 +CH$LINK: PUBCHEM CID:439685 CH$LINK: INCHIKEY ODHCTXKNWHHXJC-GSVOUGTGSA-N CH$LINK: COMPTOX DTXSID10193432 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO001701.txt b/Keio_Univ/MSBNK-Keio_Univ-KO001701.txt index ca34cbb419c..2143c402365 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO001701.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO001701.txt @@ -18,7 +18,7 @@ CH$LINK: CAS 89-00-9 CH$LINK: CHEBI CHEBI:16675 CH$LINK: KEGG C03722 CH$LINK: NIKKAJI J4.298F -CH$LINK: PUBCHEM SID:6487 +CH$LINK: PUBCHEM CID:1066 CH$LINK: INCHIKEY GJAWHXHKYYXBSV-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID8041327 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO001702.txt b/Keio_Univ/MSBNK-Keio_Univ-KO001702.txt index 1d49af4d11b..a6491cbd65e 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO001702.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO001702.txt @@ -18,7 +18,7 @@ CH$LINK: CAS 89-00-9 CH$LINK: CHEBI CHEBI:16675 CH$LINK: KEGG C03722 CH$LINK: NIKKAJI J4.298F -CH$LINK: PUBCHEM SID:6487 +CH$LINK: PUBCHEM CID:1066 CH$LINK: INCHIKEY GJAWHXHKYYXBSV-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID8041327 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO001703.txt b/Keio_Univ/MSBNK-Keio_Univ-KO001703.txt index a8e50f3c904..510a7055463 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO001703.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO001703.txt @@ -18,7 +18,7 @@ CH$LINK: CAS 89-00-9 CH$LINK: CHEBI CHEBI:16675 CH$LINK: KEGG C03722 CH$LINK: NIKKAJI J4.298F -CH$LINK: PUBCHEM SID:6487 +CH$LINK: PUBCHEM CID:1066 CH$LINK: INCHIKEY GJAWHXHKYYXBSV-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID8041327 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO001704.txt b/Keio_Univ/MSBNK-Keio_Univ-KO001704.txt index 4e55f813eff..b031cf0fc2f 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO001704.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO001704.txt @@ -18,7 +18,7 @@ CH$LINK: CAS 89-00-9 CH$LINK: CHEBI CHEBI:16675 CH$LINK: KEGG C03722 CH$LINK: NIKKAJI J4.298F -CH$LINK: PUBCHEM SID:6487 +CH$LINK: PUBCHEM CID:1066 CH$LINK: INCHIKEY GJAWHXHKYYXBSV-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID8041327 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO001705.txt b/Keio_Univ/MSBNK-Keio_Univ-KO001705.txt index f6c56248414..6a75ad259e3 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO001705.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO001705.txt @@ -18,7 +18,7 @@ CH$LINK: CAS 89-00-9 CH$LINK: CHEBI CHEBI:16675 CH$LINK: KEGG C03722 CH$LINK: NIKKAJI J4.298F -CH$LINK: PUBCHEM SID:6487 +CH$LINK: PUBCHEM CID:1066 CH$LINK: INCHIKEY GJAWHXHKYYXBSV-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID8041327 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO001706.txt b/Keio_Univ/MSBNK-Keio_Univ-KO001706.txt index 4f41f84d863..ce03ba037c4 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO001706.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO001706.txt @@ -17,7 +17,7 @@ CH$IUPAC: InChI=1S/C9H10O2/c10-9(11)7-6-8-4-2-1-3-5-8/h1-5H,6-7H2,(H,10,11) CH$LINK: CAS 501-52-0 CH$LINK: KEGG C05629 CH$LINK: NIKKAJI J2.601H -CH$LINK: PUBCHEM SID:7943 +CH$LINK: PUBCHEM CID:107 CH$LINK: INCHIKEY XMIIGOLPHOKFCH-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID2047064 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO001707.txt b/Keio_Univ/MSBNK-Keio_Univ-KO001707.txt index c29ee535f04..7c80b60d317 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO001707.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO001707.txt @@ -17,7 +17,7 @@ CH$IUPAC: InChI=1S/C9H10O2/c10-9(11)7-6-8-4-2-1-3-5-8/h1-5H,6-7H2,(H,10,11) CH$LINK: CAS 501-52-0 CH$LINK: KEGG C05629 CH$LINK: NIKKAJI J2.601H -CH$LINK: PUBCHEM SID:7943 +CH$LINK: PUBCHEM CID:107 CH$LINK: INCHIKEY XMIIGOLPHOKFCH-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID2047064 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO001708.txt b/Keio_Univ/MSBNK-Keio_Univ-KO001708.txt index da6c2b50d2a..6e53e3b97a6 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO001708.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO001708.txt @@ -17,7 +17,7 @@ CH$IUPAC: InChI=1S/C9H10O2/c10-9(11)7-6-8-4-2-1-3-5-8/h1-5H,6-7H2,(H,10,11) CH$LINK: CAS 501-52-0 CH$LINK: KEGG C05629 CH$LINK: NIKKAJI J2.601H -CH$LINK: PUBCHEM SID:7943 +CH$LINK: PUBCHEM CID:107 CH$LINK: INCHIKEY XMIIGOLPHOKFCH-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID2047064 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO001709.txt b/Keio_Univ/MSBNK-Keio_Univ-KO001709.txt index 906f554283c..bf7f4fadce3 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO001709.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO001709.txt @@ -17,7 +17,7 @@ CH$IUPAC: InChI=1S/C9H10O2/c10-9(11)7-6-8-4-2-1-3-5-8/h1-5H,6-7H2,(H,10,11) CH$LINK: CAS 501-52-0 CH$LINK: KEGG C05629 CH$LINK: NIKKAJI J2.601H -CH$LINK: PUBCHEM SID:7943 +CH$LINK: PUBCHEM CID:107 CH$LINK: INCHIKEY XMIIGOLPHOKFCH-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID2047064 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO001715.txt b/Keio_Univ/MSBNK-Keio_Univ-KO001715.txt index 3843c1b4671..0e5c730d52e 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO001715.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO001715.txt @@ -13,7 +13,7 @@ CH$EXACT_MASS: 111.03203 CH$SMILES: C1=CNC(=C1)C(=O)O CH$IUPAC: InChI=1S/C5H5NO2/c7-5(8)4-2-1-3-6-4/h1-3,6H,(H,7,8) CH$LINK: KEGG C05942 -CH$LINK: PUBCHEM SID:8227 +CH$LINK: PUBCHEM CID:12473 CH$LINK: INCHIKEY WRHZVMBBRYBTKZ-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID50212813 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO001716.txt b/Keio_Univ/MSBNK-Keio_Univ-KO001716.txt index c3264367dcf..b022427e336 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO001716.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO001716.txt @@ -13,7 +13,7 @@ CH$EXACT_MASS: 111.03203 CH$SMILES: C1=CNC(=C1)C(=O)O CH$IUPAC: InChI=1S/C5H5NO2/c7-5(8)4-2-1-3-6-4/h1-3,6H,(H,7,8) CH$LINK: KEGG C05942 -CH$LINK: PUBCHEM SID:8227 +CH$LINK: PUBCHEM CID:12473 CH$LINK: INCHIKEY WRHZVMBBRYBTKZ-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID50212813 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO001717.txt b/Keio_Univ/MSBNK-Keio_Univ-KO001717.txt index de9c48541d4..1920d02de33 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO001717.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO001717.txt @@ -13,7 +13,7 @@ CH$EXACT_MASS: 111.03203 CH$SMILES: C1=CNC(=C1)C(=O)O CH$IUPAC: InChI=1S/C5H5NO2/c7-5(8)4-2-1-3-6-4/h1-3,6H,(H,7,8) CH$LINK: KEGG C05942 -CH$LINK: PUBCHEM SID:8227 +CH$LINK: PUBCHEM CID:12473 CH$LINK: INCHIKEY WRHZVMBBRYBTKZ-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID50212813 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO001718.txt b/Keio_Univ/MSBNK-Keio_Univ-KO001718.txt index fa3e0ebe722..a430ea1c68b 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO001718.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO001718.txt @@ -13,7 +13,7 @@ CH$EXACT_MASS: 111.03203 CH$SMILES: C1=CNC(=C1)C(=O)O CH$IUPAC: InChI=1S/C5H5NO2/c7-5(8)4-2-1-3-6-4/h1-3,6H,(H,7,8) CH$LINK: KEGG C05942 -CH$LINK: PUBCHEM SID:8227 +CH$LINK: PUBCHEM CID:12473 CH$LINK: INCHIKEY WRHZVMBBRYBTKZ-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID50212813 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO001719.txt b/Keio_Univ/MSBNK-Keio_Univ-KO001719.txt index 2a3c85d549f..b7d66e002ed 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO001719.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO001719.txt @@ -13,7 +13,7 @@ CH$EXACT_MASS: 111.03203 CH$SMILES: C1=CNC(=C1)C(=O)O CH$IUPAC: InChI=1S/C5H5NO2/c7-5(8)4-2-1-3-6-4/h1-3,6H,(H,7,8) CH$LINK: KEGG C05942 -CH$LINK: PUBCHEM SID:8227 +CH$LINK: PUBCHEM CID:12473 CH$LINK: INCHIKEY WRHZVMBBRYBTKZ-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID50212813 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO001720.txt b/Keio_Univ/MSBNK-Keio_Univ-KO001720.txt index c9fbf834864..a4b6993dd4a 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO001720.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO001720.txt @@ -17,7 +17,7 @@ CH$LINK: CHEBI CHEBI:18335 CH$LINK: CHEMPDB PMP CH$LINK: KEGG C00647 CH$LINK: NIKKAJI J11.364F -CH$LINK: PUBCHEM SID:3919 +CH$LINK: PUBCHEM CID:1053 CH$LINK: INCHIKEY ZMJGSOSNSPKHNH-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID3046825 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO001721.txt b/Keio_Univ/MSBNK-Keio_Univ-KO001721.txt index 30af29ec71d..c90449ffeb8 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO001721.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO001721.txt @@ -17,7 +17,7 @@ CH$LINK: CHEBI CHEBI:18335 CH$LINK: CHEMPDB PMP CH$LINK: KEGG C00647 CH$LINK: NIKKAJI J11.364F -CH$LINK: PUBCHEM SID:3919 +CH$LINK: PUBCHEM CID:1053 CH$LINK: INCHIKEY ZMJGSOSNSPKHNH-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID3046825 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO001722.txt b/Keio_Univ/MSBNK-Keio_Univ-KO001722.txt index a22139e3c83..803bd46d927 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO001722.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO001722.txt @@ -17,7 +17,7 @@ CH$LINK: CHEBI CHEBI:18335 CH$LINK: CHEMPDB PMP CH$LINK: KEGG C00647 CH$LINK: NIKKAJI J11.364F -CH$LINK: PUBCHEM SID:3919 +CH$LINK: PUBCHEM CID:1053 CH$LINK: INCHIKEY ZMJGSOSNSPKHNH-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID3046825 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO001723.txt b/Keio_Univ/MSBNK-Keio_Univ-KO001723.txt index bd34aca2046..2348aa3178d 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO001723.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO001723.txt @@ -17,7 +17,7 @@ CH$LINK: CHEBI CHEBI:18335 CH$LINK: CHEMPDB PMP CH$LINK: KEGG C00647 CH$LINK: NIKKAJI J11.364F -CH$LINK: PUBCHEM SID:3919 +CH$LINK: PUBCHEM CID:1053 CH$LINK: INCHIKEY ZMJGSOSNSPKHNH-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID3046825 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO001724.txt b/Keio_Univ/MSBNK-Keio_Univ-KO001724.txt index 3e2bc52356a..986a19ce4a5 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO001724.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO001724.txt @@ -17,7 +17,7 @@ CH$LINK: CHEBI CHEBI:18335 CH$LINK: CHEMPDB PMP CH$LINK: KEGG C00647 CH$LINK: NIKKAJI J11.364F -CH$LINK: PUBCHEM SID:3919 +CH$LINK: PUBCHEM CID:1053 CH$LINK: INCHIKEY ZMJGSOSNSPKHNH-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID3046825 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO001725.txt b/Keio_Univ/MSBNK-Keio_Univ-KO001725.txt index 8e79642cd8c..d8fb2b1e3d5 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO001725.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO001725.txt @@ -16,7 +16,7 @@ CH$LINK: CHEBI CHEBI:16410 CH$LINK: CHEMPDB PXM CH$LINK: KEGG C00534 CH$LINK: NIKKAJI J3.891A -CH$LINK: PUBCHEM SID:3816 +CH$LINK: PUBCHEM CID:1052 CH$LINK: INCHIKEY NHZMQXZHNVQTQA-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID6046929 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO001726.txt b/Keio_Univ/MSBNK-Keio_Univ-KO001726.txt index f3fc2e07545..31c4c542a3c 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO001726.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO001726.txt @@ -16,7 +16,7 @@ CH$LINK: CHEBI CHEBI:16410 CH$LINK: CHEMPDB PXM CH$LINK: KEGG C00534 CH$LINK: NIKKAJI J3.891A -CH$LINK: PUBCHEM SID:3816 +CH$LINK: PUBCHEM CID:1052 CH$LINK: INCHIKEY NHZMQXZHNVQTQA-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID6046929 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO001727.txt b/Keio_Univ/MSBNK-Keio_Univ-KO001727.txt index 4cb23cd53ac..8dcdb188eb9 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO001727.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO001727.txt @@ -16,7 +16,7 @@ CH$LINK: CHEBI CHEBI:16410 CH$LINK: CHEMPDB PXM CH$LINK: KEGG C00534 CH$LINK: NIKKAJI J3.891A -CH$LINK: PUBCHEM SID:3816 +CH$LINK: PUBCHEM CID:1052 CH$LINK: INCHIKEY NHZMQXZHNVQTQA-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID6046929 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO001728.txt b/Keio_Univ/MSBNK-Keio_Univ-KO001728.txt index cea2ffdec58..98b16d701ea 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO001728.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO001728.txt @@ -16,7 +16,7 @@ CH$LINK: CHEBI CHEBI:16410 CH$LINK: CHEMPDB PXM CH$LINK: KEGG C00534 CH$LINK: NIKKAJI J3.891A -CH$LINK: PUBCHEM SID:3816 +CH$LINK: PUBCHEM CID:1052 CH$LINK: INCHIKEY NHZMQXZHNVQTQA-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID6046929 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO001729.txt b/Keio_Univ/MSBNK-Keio_Univ-KO001729.txt index 522c4952ecf..4dc4d4f1a7b 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO001729.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO001729.txt @@ -16,7 +16,7 @@ CH$LINK: CHEBI CHEBI:16410 CH$LINK: CHEMPDB PXM CH$LINK: KEGG C00534 CH$LINK: NIKKAJI J3.891A -CH$LINK: PUBCHEM SID:3816 +CH$LINK: PUBCHEM CID:1052 CH$LINK: INCHIKEY NHZMQXZHNVQTQA-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID6046929 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO001730.txt b/Keio_Univ/MSBNK-Keio_Univ-KO001730.txt index 3f7488304a0..9a808045d19 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO001730.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO001730.txt @@ -13,7 +13,7 @@ CH$IUPAC: InChI=1S/C23H34N3O10P/c1-11(2)8-16(26-37(33,34)36-23-20(29)19(28)18(27 CH$LINK: CAS 36357-77-4 CH$LINK: KEGG C00563 CH$LINK: NIKKAJI J18.388A -CH$LINK: PUBCHEM SID:3843 +CH$LINK: PUBCHEM CID:445114 CH$LINK: INCHIKEY ZPHBZEQOLSRPAK-XLCYBJAPSA-N AC$INSTRUMENT: API3000, Applied Biosystems AC$INSTRUMENT_TYPE: LC-ESI-QQ diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO001731.txt b/Keio_Univ/MSBNK-Keio_Univ-KO001731.txt index ec24471ccd1..05bf53c2af8 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO001731.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO001731.txt @@ -13,7 +13,7 @@ CH$IUPAC: InChI=1S/C23H34N3O10P/c1-11(2)8-16(26-37(33,34)36-23-20(29)19(28)18(27 CH$LINK: CAS 36357-77-4 CH$LINK: KEGG C00563 CH$LINK: NIKKAJI J18.388A -CH$LINK: PUBCHEM SID:3843 +CH$LINK: PUBCHEM CID:445114 CH$LINK: INCHIKEY ZPHBZEQOLSRPAK-XLCYBJAPSA-N AC$INSTRUMENT: API3000, Applied Biosystems AC$INSTRUMENT_TYPE: LC-ESI-QQ diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO001732.txt b/Keio_Univ/MSBNK-Keio_Univ-KO001732.txt index 2281e7676f8..db128856141 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO001732.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO001732.txt @@ -13,7 +13,7 @@ CH$IUPAC: InChI=1S/C23H34N3O10P/c1-11(2)8-16(26-37(33,34)36-23-20(29)19(28)18(27 CH$LINK: CAS 36357-77-4 CH$LINK: KEGG C00563 CH$LINK: NIKKAJI J18.388A -CH$LINK: PUBCHEM SID:3843 +CH$LINK: PUBCHEM CID:445114 CH$LINK: INCHIKEY ZPHBZEQOLSRPAK-XLCYBJAPSA-N AC$INSTRUMENT: API3000, Applied Biosystems AC$INSTRUMENT_TYPE: LC-ESI-QQ diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO001733.txt b/Keio_Univ/MSBNK-Keio_Univ-KO001733.txt index ac233f4cb54..11170afa541 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO001733.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO001733.txt @@ -13,7 +13,7 @@ CH$IUPAC: InChI=1S/C23H34N3O10P/c1-11(2)8-16(26-37(33,34)36-23-20(29)19(28)18(27 CH$LINK: CAS 36357-77-4 CH$LINK: KEGG C00563 CH$LINK: NIKKAJI J18.388A -CH$LINK: PUBCHEM SID:3843 +CH$LINK: PUBCHEM CID:445114 CH$LINK: INCHIKEY ZPHBZEQOLSRPAK-XLCYBJAPSA-N AC$INSTRUMENT: API3000, Applied Biosystems AC$INSTRUMENT_TYPE: LC-ESI-QQ diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO001734.txt b/Keio_Univ/MSBNK-Keio_Univ-KO001734.txt index 25b527c88cf..a147ee7ad38 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO001734.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO001734.txt @@ -13,7 +13,7 @@ CH$IUPAC: InChI=1S/C23H34N3O10P/c1-11(2)8-16(26-37(33,34)36-23-20(29)19(28)18(27 CH$LINK: CAS 36357-77-4 CH$LINK: KEGG C00563 CH$LINK: NIKKAJI J18.388A -CH$LINK: PUBCHEM SID:3843 +CH$LINK: PUBCHEM CID:445114 CH$LINK: INCHIKEY ZPHBZEQOLSRPAK-XLCYBJAPSA-N AC$INSTRUMENT: API3000, Applied Biosystems AC$INSTRUMENT_TYPE: LC-ESI-QQ diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO001735.txt b/Keio_Univ/MSBNK-Keio_Univ-KO001735.txt index d7a92b0d942..ca36cef5225 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO001735.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO001735.txt @@ -14,7 +14,7 @@ CH$IUPAC: InChI=1S/C8H8O3/c9-8(10)6-11-7-4-2-1-3-5-7/h1-5H,6H2,(H,9,10) CH$LINK: CAS 122-59-8 CH$LINK: KEGG C02181 CH$LINK: NIKKAJI J5.358I -CH$LINK: PUBCHEM SID:5253 +CH$LINK: PUBCHEM CID:19188 CH$LINK: INCHIKEY LCPDWSOZIOUXRV-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID9025873 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO001736.txt b/Keio_Univ/MSBNK-Keio_Univ-KO001736.txt index 46e70e71e9c..f1d4f6ac98c 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO001736.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO001736.txt @@ -14,7 +14,7 @@ CH$IUPAC: InChI=1S/C8H8O3/c9-8(10)6-11-7-4-2-1-3-5-7/h1-5H,6H2,(H,9,10) CH$LINK: CAS 122-59-8 CH$LINK: KEGG C02181 CH$LINK: NIKKAJI J5.358I -CH$LINK: PUBCHEM SID:5253 +CH$LINK: PUBCHEM CID:19188 CH$LINK: INCHIKEY LCPDWSOZIOUXRV-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID9025873 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO001737.txt b/Keio_Univ/MSBNK-Keio_Univ-KO001737.txt index a19b3d7378c..e066c5c6a92 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO001737.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO001737.txt @@ -14,7 +14,7 @@ CH$IUPAC: InChI=1S/C8H8O3/c9-8(10)6-11-7-4-2-1-3-5-7/h1-5H,6H2,(H,9,10) CH$LINK: CAS 122-59-8 CH$LINK: KEGG C02181 CH$LINK: NIKKAJI J5.358I -CH$LINK: PUBCHEM SID:5253 +CH$LINK: PUBCHEM CID:19188 CH$LINK: INCHIKEY LCPDWSOZIOUXRV-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID9025873 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO001738.txt b/Keio_Univ/MSBNK-Keio_Univ-KO001738.txt index 11ea8757247..79ea44c6a33 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO001738.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO001738.txt @@ -14,7 +14,7 @@ CH$IUPAC: InChI=1S/C8H8O3/c9-8(10)6-11-7-4-2-1-3-5-7/h1-5H,6H2,(H,9,10) CH$LINK: CAS 122-59-8 CH$LINK: KEGG C02181 CH$LINK: NIKKAJI J5.358I -CH$LINK: PUBCHEM SID:5253 +CH$LINK: PUBCHEM CID:19188 CH$LINK: INCHIKEY LCPDWSOZIOUXRV-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID9025873 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO001739.txt b/Keio_Univ/MSBNK-Keio_Univ-KO001739.txt index 86559ccc009..c65461d95bd 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO001739.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO001739.txt @@ -14,7 +14,7 @@ CH$IUPAC: InChI=1S/C8H8O3/c9-8(10)6-11-7-4-2-1-3-5-7/h1-5H,6H2,(H,9,10) CH$LINK: CAS 122-59-8 CH$LINK: KEGG C02181 CH$LINK: NIKKAJI J5.358I -CH$LINK: PUBCHEM SID:5253 +CH$LINK: PUBCHEM CID:19188 CH$LINK: INCHIKEY LCPDWSOZIOUXRV-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID9025873 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO001740.txt b/Keio_Univ/MSBNK-Keio_Univ-KO001740.txt index d889d318c55..70891ad4a5e 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO001740.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO001740.txt @@ -14,7 +14,7 @@ CH$IUPAC: InChI=1S/C5H7N3O5/c6-2(3(9)10)1-8-4(11)7-5(12)13-8/h2H,1,6H2,(H,9,10)( CH$LINK: CAS 52809-07-1 CH$LINK: KEGG C08296 CH$LINK: NIKKAJI J9.726H -CH$LINK: PUBCHEM SID:10494 +CH$LINK: PUBCHEM CID:40539 CH$LINK: INCHIKEY ASNFTDCKZKHJSW-REOHCLBHSA-N CH$LINK: COMPTOX DTXSID20896927 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO001741.txt b/Keio_Univ/MSBNK-Keio_Univ-KO001741.txt index 5378b944957..54c1cd3fa5b 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO001741.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO001741.txt @@ -14,7 +14,7 @@ CH$IUPAC: InChI=1S/C5H7N3O5/c6-2(3(9)10)1-8-4(11)7-5(12)13-8/h2H,1,6H2,(H,9,10)( CH$LINK: CAS 52809-07-1 CH$LINK: KEGG C08296 CH$LINK: NIKKAJI J9.726H -CH$LINK: PUBCHEM SID:10494 +CH$LINK: PUBCHEM CID:40539 CH$LINK: INCHIKEY ASNFTDCKZKHJSW-REOHCLBHSA-N CH$LINK: COMPTOX DTXSID20896927 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO001742.txt b/Keio_Univ/MSBNK-Keio_Univ-KO001742.txt index 62242acb162..4f5bd9ec9b3 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO001742.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO001742.txt @@ -14,7 +14,7 @@ CH$IUPAC: InChI=1S/C5H7N3O5/c6-2(3(9)10)1-8-4(11)7-5(12)13-8/h2H,1,6H2,(H,9,10)( CH$LINK: CAS 52809-07-1 CH$LINK: KEGG C08296 CH$LINK: NIKKAJI J9.726H -CH$LINK: PUBCHEM SID:10494 +CH$LINK: PUBCHEM CID:40539 CH$LINK: INCHIKEY ASNFTDCKZKHJSW-REOHCLBHSA-N CH$LINK: COMPTOX DTXSID20896927 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO001743.txt b/Keio_Univ/MSBNK-Keio_Univ-KO001743.txt index 6f91dbaee28..36f03389611 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO001743.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO001743.txt @@ -14,7 +14,7 @@ CH$IUPAC: InChI=1S/C5H7N3O5/c6-2(3(9)10)1-8-4(11)7-5(12)13-8/h2H,1,6H2,(H,9,10)( CH$LINK: CAS 52809-07-1 CH$LINK: KEGG C08296 CH$LINK: NIKKAJI J9.726H -CH$LINK: PUBCHEM SID:10494 +CH$LINK: PUBCHEM CID:40539 CH$LINK: INCHIKEY ASNFTDCKZKHJSW-REOHCLBHSA-N CH$LINK: COMPTOX DTXSID20896927 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO001744.txt b/Keio_Univ/MSBNK-Keio_Univ-KO001744.txt index 80866541594..e3ca9d6166f 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO001744.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO001744.txt @@ -14,7 +14,7 @@ CH$IUPAC: InChI=1S/C5H7N3O5/c6-2(3(9)10)1-8-4(11)7-5(12)13-8/h2H,1,6H2,(H,9,10)( CH$LINK: CAS 52809-07-1 CH$LINK: KEGG C08296 CH$LINK: NIKKAJI J9.726H -CH$LINK: PUBCHEM SID:10494 +CH$LINK: PUBCHEM CID:40539 CH$LINK: INCHIKEY ASNFTDCKZKHJSW-REOHCLBHSA-N CH$LINK: COMPTOX DTXSID20896927 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO001750.txt b/Keio_Univ/MSBNK-Keio_Univ-KO001750.txt index e3ba840e8d1..dad5a115a7c 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO001750.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO001750.txt @@ -12,7 +12,7 @@ CH$EXACT_MASS: 230.01915 CH$SMILES: O[C@@H](O1)[C@H](O)[C@H](O)[C@H]1COP(O)(O)=O CH$IUPAC: InChI=1S/C5H11O8P/c6-3-2(1-12-14(9,10)11)13-5(8)4(3)7/h2-8H,1H2,(H2,9,10,11)/t2-,3-,4-,5+/m1/s1 CH$LINK: KEGG C03736 -CH$LINK: PUBCHEM SID:6499 +CH$LINK: PUBCHEM CID:440101 CH$LINK: INCHIKEY KTVPXOYAKDPRHY-AIHAYLRMSA-N AC$INSTRUMENT: API3000, Applied Biosystems AC$INSTRUMENT_TYPE: LC-ESI-QQ diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO001751.txt b/Keio_Univ/MSBNK-Keio_Univ-KO001751.txt index ef49c93e450..78a2301fb57 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO001751.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO001751.txt @@ -12,7 +12,7 @@ CH$EXACT_MASS: 230.01915 CH$SMILES: O[C@@H](O1)[C@H](O)[C@H](O)[C@H]1COP(O)(O)=O CH$IUPAC: InChI=1S/C5H11O8P/c6-3-2(1-12-14(9,10)11)13-5(8)4(3)7/h2-8H,1H2,(H2,9,10,11)/t2-,3-,4-,5+/m1/s1 CH$LINK: KEGG C03736 -CH$LINK: PUBCHEM SID:6499 +CH$LINK: PUBCHEM CID:440101 CH$LINK: INCHIKEY KTVPXOYAKDPRHY-AIHAYLRMSA-N AC$INSTRUMENT: API3000, Applied Biosystems AC$INSTRUMENT_TYPE: LC-ESI-QQ diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO001752.txt b/Keio_Univ/MSBNK-Keio_Univ-KO001752.txt index 6f12e0fad6f..74b61ca2516 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO001752.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO001752.txt @@ -12,7 +12,7 @@ CH$EXACT_MASS: 230.01915 CH$SMILES: O[C@@H](O1)[C@H](O)[C@H](O)[C@H]1COP(O)(O)=O CH$IUPAC: InChI=1S/C5H11O8P/c6-3-2(1-12-14(9,10)11)13-5(8)4(3)7/h2-8H,1H2,(H2,9,10,11)/t2-,3-,4-,5+/m1/s1 CH$LINK: KEGG C03736 -CH$LINK: PUBCHEM SID:6499 +CH$LINK: PUBCHEM CID:440101 CH$LINK: INCHIKEY KTVPXOYAKDPRHY-AIHAYLRMSA-N AC$INSTRUMENT: API3000, Applied Biosystems AC$INSTRUMENT_TYPE: LC-ESI-QQ diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO001753.txt b/Keio_Univ/MSBNK-Keio_Univ-KO001753.txt index e0424b6ff9e..78a531fbd9e 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO001753.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO001753.txt @@ -12,7 +12,7 @@ CH$EXACT_MASS: 230.01915 CH$SMILES: O[C@@H](O1)[C@H](O)[C@H](O)[C@H]1COP(O)(O)=O CH$IUPAC: InChI=1S/C5H11O8P/c6-3-2(1-12-14(9,10)11)13-5(8)4(3)7/h2-8H,1H2,(H2,9,10,11)/t2-,3-,4-,5+/m1/s1 CH$LINK: KEGG C03736 -CH$LINK: PUBCHEM SID:6499 +CH$LINK: PUBCHEM CID:440101 CH$LINK: INCHIKEY KTVPXOYAKDPRHY-AIHAYLRMSA-N AC$INSTRUMENT: API3000, Applied Biosystems AC$INSTRUMENT_TYPE: LC-ESI-QQ diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO001754.txt b/Keio_Univ/MSBNK-Keio_Univ-KO001754.txt index 5b825945ef8..15fb9f0b96d 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO001754.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO001754.txt @@ -12,7 +12,7 @@ CH$EXACT_MASS: 230.01915 CH$SMILES: O[C@@H](O1)[C@H](O)[C@H](O)[C@H]1COP(O)(O)=O CH$IUPAC: InChI=1S/C5H11O8P/c6-3-2(1-12-14(9,10)11)13-5(8)4(3)7/h2-8H,1H2,(H2,9,10,11)/t2-,3-,4-,5+/m1/s1 CH$LINK: KEGG C03736 -CH$LINK: PUBCHEM SID:6499 +CH$LINK: PUBCHEM CID:440101 CH$LINK: INCHIKEY KTVPXOYAKDPRHY-AIHAYLRMSA-N AC$INSTRUMENT: API3000, Applied Biosystems AC$INSTRUMENT_TYPE: LC-ESI-QQ diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO001755.txt b/Keio_Univ/MSBNK-Keio_Univ-KO001755.txt index 3859812308b..b23be0293ef 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO001755.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO001755.txt @@ -14,7 +14,7 @@ CH$IUPAC: InChI=1S/C5H12O11P2/c6-3(1-15-17(9,10)11)5(8)4(7)2-16-18(12,13)14/h3,5 CH$LINK: CAS 24218-00-6 CH$LINK: CHEBI CHEBI:16710 CH$LINK: KEGG C01182 -CH$LINK: PUBCHEM SID:4409 +CH$LINK: PUBCHEM CID:123658 CH$LINK: INCHIKEY YAHZABJORDUQGO-NQXXGFSBSA-N CH$LINK: COMPTOX DTXSID30173837 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO001756.txt b/Keio_Univ/MSBNK-Keio_Univ-KO001756.txt index 4849b725e36..2d930aa0d07 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO001756.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO001756.txt @@ -14,7 +14,7 @@ CH$IUPAC: InChI=1S/C5H12O11P2/c6-3(1-15-17(9,10)11)5(8)4(7)2-16-18(12,13)14/h3,5 CH$LINK: CAS 24218-00-6 CH$LINK: CHEBI CHEBI:16710 CH$LINK: KEGG C01182 -CH$LINK: PUBCHEM SID:4409 +CH$LINK: PUBCHEM CID:123658 CH$LINK: INCHIKEY YAHZABJORDUQGO-NQXXGFSBSA-N CH$LINK: COMPTOX DTXSID30173837 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO001757.txt b/Keio_Univ/MSBNK-Keio_Univ-KO001757.txt index b9a374399e0..a9c9da9dcc1 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO001757.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO001757.txt @@ -14,7 +14,7 @@ CH$IUPAC: InChI=1S/C5H12O11P2/c6-3(1-15-17(9,10)11)5(8)4(7)2-16-18(12,13)14/h3,5 CH$LINK: CAS 24218-00-6 CH$LINK: CHEBI CHEBI:16710 CH$LINK: KEGG C01182 -CH$LINK: PUBCHEM SID:4409 +CH$LINK: PUBCHEM CID:123658 CH$LINK: INCHIKEY YAHZABJORDUQGO-NQXXGFSBSA-N CH$LINK: COMPTOX DTXSID30173837 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO001758.txt b/Keio_Univ/MSBNK-Keio_Univ-KO001758.txt index 6434dec8937..5e191cd01d8 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO001758.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO001758.txt @@ -14,7 +14,7 @@ CH$IUPAC: InChI=1S/C5H12O11P2/c6-3(1-15-17(9,10)11)5(8)4(7)2-16-18(12,13)14/h3,5 CH$LINK: CAS 24218-00-6 CH$LINK: CHEBI CHEBI:16710 CH$LINK: KEGG C01182 -CH$LINK: PUBCHEM SID:4409 +CH$LINK: PUBCHEM CID:123658 CH$LINK: INCHIKEY YAHZABJORDUQGO-NQXXGFSBSA-N CH$LINK: COMPTOX DTXSID30173837 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO001759.txt b/Keio_Univ/MSBNK-Keio_Univ-KO001759.txt index a347a98ee84..71bb2cb028e 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO001759.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO001759.txt @@ -14,7 +14,7 @@ CH$IUPAC: InChI=1S/C5H12O11P2/c6-3(1-15-17(9,10)11)5(8)4(7)2-16-18(12,13)14/h3,5 CH$LINK: CAS 24218-00-6 CH$LINK: CHEBI CHEBI:16710 CH$LINK: KEGG C01182 -CH$LINK: PUBCHEM SID:4409 +CH$LINK: PUBCHEM CID:123658 CH$LINK: INCHIKEY YAHZABJORDUQGO-NQXXGFSBSA-N CH$LINK: COMPTOX DTXSID30173837 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO001765.txt b/Keio_Univ/MSBNK-Keio_Univ-KO001765.txt index 797161d3646..13e9348cf6f 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO001765.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO001765.txt @@ -15,7 +15,7 @@ CH$IUPAC: InChI=1S/C5H11O8P/c6-1-2-3(7)4(8)5(12-2)13-14(9,10)11/h2-8H,1H2,(H2,9, CH$LINK: CAS 14075-00-4 CH$LINK: CHEBI CHEBI:4236 CH$LINK: KEGG C00620 -CH$LINK: PUBCHEM SID:3894 +CH$LINK: PUBCHEM CID:439236 CH$LINK: INCHIKEY YXJDFQJKERBOBM-TXICZTDVSA-N AC$INSTRUMENT: API3000, Applied Biosystems AC$INSTRUMENT_TYPE: LC-ESI-QQ diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO001766.txt b/Keio_Univ/MSBNK-Keio_Univ-KO001766.txt index 67af85b9996..073e134579a 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO001766.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO001766.txt @@ -15,7 +15,7 @@ CH$IUPAC: InChI=1S/C5H11O8P/c6-1-2-3(7)4(8)5(12-2)13-14(9,10)11/h2-8H,1H2,(H2,9, CH$LINK: CAS 14075-00-4 CH$LINK: CHEBI CHEBI:4236 CH$LINK: KEGG C00620 -CH$LINK: PUBCHEM SID:3894 +CH$LINK: PUBCHEM CID:439236 CH$LINK: INCHIKEY YXJDFQJKERBOBM-TXICZTDVSA-N AC$INSTRUMENT: API3000, Applied Biosystems AC$INSTRUMENT_TYPE: LC-ESI-QQ diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO001767.txt b/Keio_Univ/MSBNK-Keio_Univ-KO001767.txt index 62ee0401697..8bb6588caba 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO001767.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO001767.txt @@ -15,7 +15,7 @@ CH$IUPAC: InChI=1S/C5H11O8P/c6-1-2-3(7)4(8)5(12-2)13-14(9,10)11/h2-8H,1H2,(H2,9, CH$LINK: CAS 14075-00-4 CH$LINK: CHEBI CHEBI:4236 CH$LINK: KEGG C00620 -CH$LINK: PUBCHEM SID:3894 +CH$LINK: PUBCHEM CID:439236 CH$LINK: INCHIKEY YXJDFQJKERBOBM-TXICZTDVSA-N AC$INSTRUMENT: API3000, Applied Biosystems AC$INSTRUMENT_TYPE: LC-ESI-QQ diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO001768.txt b/Keio_Univ/MSBNK-Keio_Univ-KO001768.txt index 572cf93b7fe..d6f7c057ab0 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO001768.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO001768.txt @@ -15,7 +15,7 @@ CH$IUPAC: InChI=1S/C5H11O8P/c6-1-2-3(7)4(8)5(12-2)13-14(9,10)11/h2-8H,1H2,(H2,9, CH$LINK: CAS 14075-00-4 CH$LINK: CHEBI CHEBI:4236 CH$LINK: KEGG C00620 -CH$LINK: PUBCHEM SID:3894 +CH$LINK: PUBCHEM CID:439236 CH$LINK: INCHIKEY YXJDFQJKERBOBM-TXICZTDVSA-N AC$INSTRUMENT: API3000, Applied Biosystems AC$INSTRUMENT_TYPE: LC-ESI-QQ diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO001769.txt b/Keio_Univ/MSBNK-Keio_Univ-KO001769.txt index 251b59fa0b5..51944cdf665 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO001769.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO001769.txt @@ -15,7 +15,7 @@ CH$IUPAC: InChI=1S/C5H11O8P/c6-1-2-3(7)4(8)5(12-2)13-14(9,10)11/h2-8H,1H2,(H2,9, CH$LINK: CAS 14075-00-4 CH$LINK: CHEBI CHEBI:4236 CH$LINK: KEGG C00620 -CH$LINK: PUBCHEM SID:3894 +CH$LINK: PUBCHEM CID:439236 CH$LINK: INCHIKEY YXJDFQJKERBOBM-TXICZTDVSA-N AC$INSTRUMENT: API3000, Applied Biosystems AC$INSTRUMENT_TYPE: LC-ESI-QQ diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO001770.txt b/Keio_Univ/MSBNK-Keio_Univ-KO001770.txt index e50063c3d38..fea455a20d4 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO001770.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO001770.txt @@ -13,7 +13,7 @@ CH$IUPAC: InChI=1S/C15H8O6/c16-9-3-1-2-7-11(9)14(19)12-8(13(7)18)4-6(15(20)21)5- CH$LINK: CAS 478-43-3 CH$LINK: KEGG C10401 CH$LINK: NIKKAJI J12.584I -CH$LINK: PUBCHEM SID:12587 +CH$LINK: PUBCHEM CID:10168 CH$LINK: INCHIKEY FCDLCPWAQCPTKC-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID4026000 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO001771.txt b/Keio_Univ/MSBNK-Keio_Univ-KO001771.txt index 71c7024f5b5..a5cbe1a92d3 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO001771.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO001771.txt @@ -13,7 +13,7 @@ CH$IUPAC: InChI=1S/C15H8O6/c16-9-3-1-2-7-11(9)14(19)12-8(13(7)18)4-6(15(20)21)5- CH$LINK: CAS 478-43-3 CH$LINK: KEGG C10401 CH$LINK: NIKKAJI J12.584I -CH$LINK: PUBCHEM SID:12587 +CH$LINK: PUBCHEM CID:10168 CH$LINK: INCHIKEY FCDLCPWAQCPTKC-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID4026000 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO001772.txt b/Keio_Univ/MSBNK-Keio_Univ-KO001772.txt index f75c23c65e9..691bec6d18e 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO001772.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO001772.txt @@ -13,7 +13,7 @@ CH$IUPAC: InChI=1S/C15H8O6/c16-9-3-1-2-7-11(9)14(19)12-8(13(7)18)4-6(15(20)21)5- CH$LINK: CAS 478-43-3 CH$LINK: KEGG C10401 CH$LINK: NIKKAJI J12.584I -CH$LINK: PUBCHEM SID:12587 +CH$LINK: PUBCHEM CID:10168 CH$LINK: INCHIKEY FCDLCPWAQCPTKC-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID4026000 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO001773.txt b/Keio_Univ/MSBNK-Keio_Univ-KO001773.txt index c7dc575e534..1fa9610a80f 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO001773.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO001773.txt @@ -13,7 +13,7 @@ CH$IUPAC: InChI=1S/C15H8O6/c16-9-3-1-2-7-11(9)14(19)12-8(13(7)18)4-6(15(20)21)5- CH$LINK: CAS 478-43-3 CH$LINK: KEGG C10401 CH$LINK: NIKKAJI J12.584I -CH$LINK: PUBCHEM SID:12587 +CH$LINK: PUBCHEM CID:10168 CH$LINK: INCHIKEY FCDLCPWAQCPTKC-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID4026000 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO001774.txt b/Keio_Univ/MSBNK-Keio_Univ-KO001774.txt index d9bebf26ea0..37b7886195c 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO001774.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO001774.txt @@ -13,7 +13,7 @@ CH$IUPAC: InChI=1S/C15H8O6/c16-9-3-1-2-7-11(9)14(19)12-8(13(7)18)4-6(15(20)21)5- CH$LINK: CAS 478-43-3 CH$LINK: KEGG C10401 CH$LINK: NIKKAJI J12.584I -CH$LINK: PUBCHEM SID:12587 +CH$LINK: PUBCHEM CID:10168 CH$LINK: INCHIKEY FCDLCPWAQCPTKC-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID4026000 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO001780.txt b/Keio_Univ/MSBNK-Keio_Univ-KO001780.txt index 542f74b9968..3dd6acc9b81 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO001780.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO001780.txt @@ -18,7 +18,7 @@ CH$LINK: CHEBI CHEBI:17115 CH$LINK: CHEMPDB SER CH$LINK: KEGG C00065 CH$LINK: NIKKAJI J1.195I -CH$LINK: PUBCHEM SID:3365 +CH$LINK: PUBCHEM CID:5951 CH$LINK: INCHIKEY MTCFGRXMJLQNBG-REOHCLBHSA-N CH$LINK: COMPTOX DTXSID60883230 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO001781.txt b/Keio_Univ/MSBNK-Keio_Univ-KO001781.txt index 30dc34b9643..5e6db3b82ac 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO001781.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO001781.txt @@ -18,7 +18,7 @@ CH$LINK: CHEBI CHEBI:17115 CH$LINK: CHEMPDB SER CH$LINK: KEGG C00065 CH$LINK: NIKKAJI J1.195I -CH$LINK: PUBCHEM SID:3365 +CH$LINK: PUBCHEM CID:5951 CH$LINK: INCHIKEY MTCFGRXMJLQNBG-REOHCLBHSA-N CH$LINK: COMPTOX DTXSID60883230 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO001782.txt b/Keio_Univ/MSBNK-Keio_Univ-KO001782.txt index 523e160ba08..bd47ea6603a 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO001782.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO001782.txt @@ -18,7 +18,7 @@ CH$LINK: CHEBI CHEBI:17115 CH$LINK: CHEMPDB SER CH$LINK: KEGG C00065 CH$LINK: NIKKAJI J1.195I -CH$LINK: PUBCHEM SID:3365 +CH$LINK: PUBCHEM CID:5951 CH$LINK: INCHIKEY MTCFGRXMJLQNBG-REOHCLBHSA-N CH$LINK: COMPTOX DTXSID60883230 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO001783.txt b/Keio_Univ/MSBNK-Keio_Univ-KO001783.txt index 91431c19b26..a1a453226ae 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO001783.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO001783.txt @@ -18,7 +18,7 @@ CH$LINK: CHEBI CHEBI:17115 CH$LINK: CHEMPDB SER CH$LINK: KEGG C00065 CH$LINK: NIKKAJI J1.195I -CH$LINK: PUBCHEM SID:3365 +CH$LINK: PUBCHEM CID:5951 CH$LINK: INCHIKEY MTCFGRXMJLQNBG-REOHCLBHSA-N CH$LINK: COMPTOX DTXSID60883230 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO001784.txt b/Keio_Univ/MSBNK-Keio_Univ-KO001784.txt index 8a995c17302..6f007c694a8 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO001784.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO001784.txt @@ -18,7 +18,7 @@ CH$LINK: CHEBI CHEBI:15741 CH$LINK: CHEMPDB SIN CH$LINK: KEGG C00042 CH$LINK: NIKKAJI J2.879G -CH$LINK: PUBCHEM SID:3344 +CH$LINK: PUBCHEM CID:1110 CH$LINK: INCHIKEY KDYFGRWQOYBRFD-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID6023602 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO001785.txt b/Keio_Univ/MSBNK-Keio_Univ-KO001785.txt index d1381e00be6..a8ecda89b29 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO001785.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO001785.txt @@ -18,7 +18,7 @@ CH$LINK: CHEBI CHEBI:15741 CH$LINK: CHEMPDB SIN CH$LINK: KEGG C00042 CH$LINK: NIKKAJI J2.879G -CH$LINK: PUBCHEM SID:3344 +CH$LINK: PUBCHEM CID:1110 CH$LINK: INCHIKEY KDYFGRWQOYBRFD-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID6023602 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO001786.txt b/Keio_Univ/MSBNK-Keio_Univ-KO001786.txt index f893ff9a2c4..095aae0bf7e 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO001786.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO001786.txt @@ -18,7 +18,7 @@ CH$LINK: CHEBI CHEBI:15741 CH$LINK: CHEMPDB SIN CH$LINK: KEGG C00042 CH$LINK: NIKKAJI J2.879G -CH$LINK: PUBCHEM SID:3344 +CH$LINK: PUBCHEM CID:1110 CH$LINK: INCHIKEY KDYFGRWQOYBRFD-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID6023602 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO001787.txt b/Keio_Univ/MSBNK-Keio_Univ-KO001787.txt index 99d489eccdf..f6684278f0e 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO001787.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO001787.txt @@ -18,7 +18,7 @@ CH$LINK: CHEBI CHEBI:15741 CH$LINK: CHEMPDB SIN CH$LINK: KEGG C00042 CH$LINK: NIKKAJI J2.879G -CH$LINK: PUBCHEM SID:3344 +CH$LINK: PUBCHEM CID:1110 CH$LINK: INCHIKEY KDYFGRWQOYBRFD-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID6023602 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO001788.txt b/Keio_Univ/MSBNK-Keio_Univ-KO001788.txt index 49a66f7280a..fceb9e67129 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO001788.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO001788.txt @@ -18,7 +18,7 @@ CH$LINK: CHEBI CHEBI:15741 CH$LINK: CHEMPDB SIN CH$LINK: KEGG C00042 CH$LINK: NIKKAJI J2.879G -CH$LINK: PUBCHEM SID:3344 +CH$LINK: PUBCHEM CID:1110 CH$LINK: INCHIKEY KDYFGRWQOYBRFD-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID6023602 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO001789.txt b/Keio_Univ/MSBNK-Keio_Univ-KO001789.txt index b77e34dda6b..d8074df9770 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO001789.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO001789.txt @@ -18,7 +18,7 @@ CH$LINK: CHEBI CHEBI:16119 CH$LINK: CHEMPDB SKM CH$LINK: KEGG C00493 CH$LINK: NIKKAJI J3.267K -CH$LINK: PUBCHEM SID:3776 +CH$LINK: PUBCHEM CID:8742 CH$LINK: INCHIKEY JXOHGGNKMLTUBP-HSUXUTPPSA-N CH$LINK: COMPTOX DTXSID4032039 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO001790.txt b/Keio_Univ/MSBNK-Keio_Univ-KO001790.txt index 899c943b8a8..c7e11bc50f1 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO001790.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO001790.txt @@ -18,7 +18,7 @@ CH$LINK: CHEBI CHEBI:16119 CH$LINK: CHEMPDB SKM CH$LINK: KEGG C00493 CH$LINK: NIKKAJI J3.267K -CH$LINK: PUBCHEM SID:3776 +CH$LINK: PUBCHEM CID:8742 CH$LINK: INCHIKEY JXOHGGNKMLTUBP-HSUXUTPPSA-N CH$LINK: COMPTOX DTXSID4032039 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO001791.txt b/Keio_Univ/MSBNK-Keio_Univ-KO001791.txt index 079267fbcda..1d49e957d7b 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO001791.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO001791.txt @@ -18,7 +18,7 @@ CH$LINK: CHEBI CHEBI:16119 CH$LINK: CHEMPDB SKM CH$LINK: KEGG C00493 CH$LINK: NIKKAJI J3.267K -CH$LINK: PUBCHEM SID:3776 +CH$LINK: PUBCHEM CID:8742 CH$LINK: INCHIKEY JXOHGGNKMLTUBP-HSUXUTPPSA-N CH$LINK: COMPTOX DTXSID4032039 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO001792.txt b/Keio_Univ/MSBNK-Keio_Univ-KO001792.txt index ebe0e21dc75..f1f05d1244d 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO001792.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO001792.txt @@ -18,7 +18,7 @@ CH$LINK: CHEBI CHEBI:16119 CH$LINK: CHEMPDB SKM CH$LINK: KEGG C00493 CH$LINK: NIKKAJI J3.267K -CH$LINK: PUBCHEM SID:3776 +CH$LINK: PUBCHEM CID:8742 CH$LINK: INCHIKEY JXOHGGNKMLTUBP-HSUXUTPPSA-N CH$LINK: COMPTOX DTXSID4032039 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO001793.txt b/Keio_Univ/MSBNK-Keio_Univ-KO001793.txt index 990a83fa800..82bed26b247 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO001793.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO001793.txt @@ -18,7 +18,7 @@ CH$LINK: CHEBI CHEBI:16119 CH$LINK: CHEMPDB SKM CH$LINK: KEGG C00493 CH$LINK: NIKKAJI J3.267K -CH$LINK: PUBCHEM SID:3776 +CH$LINK: PUBCHEM CID:8742 CH$LINK: INCHIKEY JXOHGGNKMLTUBP-HSUXUTPPSA-N CH$LINK: COMPTOX DTXSID4032039 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO001794.txt b/Keio_Univ/MSBNK-Keio_Univ-KO001794.txt index 4b1819a7558..c1bd6b9eb3b 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO001794.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO001794.txt @@ -18,7 +18,7 @@ CH$IUPAC: InChI=1S/C8H14O4/c9-7(10)5-3-1-2-4-6-8(11)12/h1-6H2,(H,9,10)(H,11,12) CH$LINK: CAS 505-48-6 CH$LINK: KEGG C08278 CH$LINK: NIKKAJI J6.225A -CH$LINK: PUBCHEM SID:10476 +CH$LINK: PUBCHEM CID:10457 CH$LINK: INCHIKEY TYFQFVWCELRYAO-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID8021644 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO001795.txt b/Keio_Univ/MSBNK-Keio_Univ-KO001795.txt index 6c53e08a024..f5c38e556a8 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO001795.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO001795.txt @@ -18,7 +18,7 @@ CH$IUPAC: InChI=1S/C8H14O4/c9-7(10)5-3-1-2-4-6-8(11)12/h1-6H2,(H,9,10)(H,11,12) CH$LINK: CAS 505-48-6 CH$LINK: KEGG C08278 CH$LINK: NIKKAJI J6.225A -CH$LINK: PUBCHEM SID:10476 +CH$LINK: PUBCHEM CID:10457 CH$LINK: INCHIKEY TYFQFVWCELRYAO-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID8021644 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO001796.txt b/Keio_Univ/MSBNK-Keio_Univ-KO001796.txt index 3237aae58fc..ca8f1d0f75d 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO001796.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO001796.txt @@ -18,7 +18,7 @@ CH$IUPAC: InChI=1S/C8H14O4/c9-7(10)5-3-1-2-4-6-8(11)12/h1-6H2,(H,9,10)(H,11,12) CH$LINK: CAS 505-48-6 CH$LINK: KEGG C08278 CH$LINK: NIKKAJI J6.225A -CH$LINK: PUBCHEM SID:10476 +CH$LINK: PUBCHEM CID:10457 CH$LINK: INCHIKEY TYFQFVWCELRYAO-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID8021644 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO001797.txt b/Keio_Univ/MSBNK-Keio_Univ-KO001797.txt index 786c9c2cf54..a6b6422a52d 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO001797.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO001797.txt @@ -18,7 +18,7 @@ CH$IUPAC: InChI=1S/C8H14O4/c9-7(10)5-3-1-2-4-6-8(11)12/h1-6H2,(H,9,10)(H,11,12) CH$LINK: CAS 505-48-6 CH$LINK: KEGG C08278 CH$LINK: NIKKAJI J6.225A -CH$LINK: PUBCHEM SID:10476 +CH$LINK: PUBCHEM CID:10457 CH$LINK: INCHIKEY TYFQFVWCELRYAO-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID8021644 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO001798.txt b/Keio_Univ/MSBNK-Keio_Univ-KO001798.txt index f1a69db8f70..437de74ab98 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO001798.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO001798.txt @@ -18,7 +18,7 @@ CH$IUPAC: InChI=1S/C8H14O4/c9-7(10)5-3-1-2-4-6-8(11)12/h1-6H2,(H,9,10)(H,11,12) CH$LINK: CAS 505-48-6 CH$LINK: KEGG C08278 CH$LINK: NIKKAJI J6.225A -CH$LINK: PUBCHEM SID:10476 +CH$LINK: PUBCHEM CID:10457 CH$LINK: INCHIKEY TYFQFVWCELRYAO-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID8021644 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO001799.txt b/Keio_Univ/MSBNK-Keio_Univ-KO001799.txt index a95ef5aaf4f..ef2f7a021f6 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO001799.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO001799.txt @@ -15,7 +15,7 @@ CH$LINK: CAS 107-97-1 CH$LINK: CHEBI CHEBI:15611 CH$LINK: KEGG C00213 CH$LINK: NIKKAJI J5.067I -CH$LINK: PUBCHEM SID:3513 +CH$LINK: PUBCHEM CID:1088 CH$LINK: INCHIKEY FSYKKLYZXJSNPZ-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID1047025 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO001800.txt b/Keio_Univ/MSBNK-Keio_Univ-KO001800.txt index c2a5242592c..dfe5a66b54e 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO001800.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO001800.txt @@ -15,7 +15,7 @@ CH$LINK: CAS 107-97-1 CH$LINK: CHEBI CHEBI:15611 CH$LINK: KEGG C00213 CH$LINK: NIKKAJI J5.067I -CH$LINK: PUBCHEM SID:3513 +CH$LINK: PUBCHEM CID:1088 CH$LINK: INCHIKEY FSYKKLYZXJSNPZ-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID1047025 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO001801.txt b/Keio_Univ/MSBNK-Keio_Univ-KO001801.txt index e931bfa5d0f..5b724ed5474 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO001801.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO001801.txt @@ -15,7 +15,7 @@ CH$LINK: CAS 107-97-1 CH$LINK: CHEBI CHEBI:15611 CH$LINK: KEGG C00213 CH$LINK: NIKKAJI J5.067I -CH$LINK: PUBCHEM SID:3513 +CH$LINK: PUBCHEM CID:1088 CH$LINK: INCHIKEY FSYKKLYZXJSNPZ-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID1047025 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO001802.txt b/Keio_Univ/MSBNK-Keio_Univ-KO001802.txt index b888fbfef7d..7896d2c7582 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO001802.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO001802.txt @@ -17,7 +17,7 @@ CH$LINK: CAS 123-56-8 CH$LINK: CHEBI CHEBI:9307 CH$LINK: KEGG C07273 CH$LINK: NIKKAJI J25.395B -CH$LINK: PUBCHEM SID:9482 +CH$LINK: PUBCHEM CID:11439 CH$LINK: INCHIKEY KZNICNPSHKQLFF-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID8051629 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO001803.txt b/Keio_Univ/MSBNK-Keio_Univ-KO001803.txt index 4cfbb61995d..0b3cb1fa8ad 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO001803.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO001803.txt @@ -17,7 +17,7 @@ CH$LINK: CAS 123-56-8 CH$LINK: CHEBI CHEBI:9307 CH$LINK: KEGG C07273 CH$LINK: NIKKAJI J25.395B -CH$LINK: PUBCHEM SID:9482 +CH$LINK: PUBCHEM CID:11439 CH$LINK: INCHIKEY KZNICNPSHKQLFF-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID8051629 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO001804.txt b/Keio_Univ/MSBNK-Keio_Univ-KO001804.txt index 2eaba05b23f..15f8e4434f4 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO001804.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO001804.txt @@ -17,7 +17,7 @@ CH$LINK: CAS 123-56-8 CH$LINK: CHEBI CHEBI:9307 CH$LINK: KEGG C07273 CH$LINK: NIKKAJI J25.395B -CH$LINK: PUBCHEM SID:9482 +CH$LINK: PUBCHEM CID:11439 CH$LINK: INCHIKEY KZNICNPSHKQLFF-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID8051629 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO001805.txt b/Keio_Univ/MSBNK-Keio_Univ-KO001805.txt index 1bc7858b7c3..f24f3528ef9 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO001805.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO001805.txt @@ -17,7 +17,7 @@ CH$LINK: CAS 123-56-8 CH$LINK: CHEBI CHEBI:9307 CH$LINK: KEGG C07273 CH$LINK: NIKKAJI J25.395B -CH$LINK: PUBCHEM SID:9482 +CH$LINK: PUBCHEM CID:11439 CH$LINK: INCHIKEY KZNICNPSHKQLFF-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID8051629 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO001806.txt b/Keio_Univ/MSBNK-Keio_Univ-KO001806.txt index ba26a23f356..fe38081bde5 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO001806.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO001806.txt @@ -17,7 +17,7 @@ CH$LINK: CAS 123-56-8 CH$LINK: CHEBI CHEBI:9307 CH$LINK: KEGG C07273 CH$LINK: NIKKAJI J25.395B -CH$LINK: PUBCHEM SID:9482 +CH$LINK: PUBCHEM CID:11439 CH$LINK: INCHIKEY KZNICNPSHKQLFF-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID8051629 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO001807.txt b/Keio_Univ/MSBNK-Keio_Univ-KO001807.txt index 630bff7ea22..5538d58d14b 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO001807.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO001807.txt @@ -17,7 +17,7 @@ CH$LINK: CHEBI CHEBI:9071 CH$LINK: CHEMPDB DEC CH$LINK: KEGG C08277 CH$LINK: NIKKAJI J10.109E -CH$LINK: PUBCHEM SID:10475 +CH$LINK: PUBCHEM CID:5192 CH$LINK: INCHIKEY CXMXRPHRNRROMY-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID7026867 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO001808.txt b/Keio_Univ/MSBNK-Keio_Univ-KO001808.txt index bc24bac7855..86ba53d67ac 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO001808.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO001808.txt @@ -17,7 +17,7 @@ CH$LINK: CHEBI CHEBI:9071 CH$LINK: CHEMPDB DEC CH$LINK: KEGG C08277 CH$LINK: NIKKAJI J10.109E -CH$LINK: PUBCHEM SID:10475 +CH$LINK: PUBCHEM CID:5192 CH$LINK: INCHIKEY CXMXRPHRNRROMY-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID7026867 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO001809.txt b/Keio_Univ/MSBNK-Keio_Univ-KO001809.txt index 077c6c1bb9e..fb2273a1d07 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO001809.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO001809.txt @@ -17,7 +17,7 @@ CH$LINK: CHEBI CHEBI:9071 CH$LINK: CHEMPDB DEC CH$LINK: KEGG C08277 CH$LINK: NIKKAJI J10.109E -CH$LINK: PUBCHEM SID:10475 +CH$LINK: PUBCHEM CID:5192 CH$LINK: INCHIKEY CXMXRPHRNRROMY-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID7026867 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO001810.txt b/Keio_Univ/MSBNK-Keio_Univ-KO001810.txt index 7b8693e14f9..9c85773ce19 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO001810.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO001810.txt @@ -17,7 +17,7 @@ CH$LINK: CHEBI CHEBI:9071 CH$LINK: CHEMPDB DEC CH$LINK: KEGG C08277 CH$LINK: NIKKAJI J10.109E -CH$LINK: PUBCHEM SID:10475 +CH$LINK: PUBCHEM CID:5192 CH$LINK: INCHIKEY CXMXRPHRNRROMY-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID7026867 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO001811.txt b/Keio_Univ/MSBNK-Keio_Univ-KO001811.txt index 2e14a42fe6d..132ee5172d0 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO001811.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO001811.txt @@ -17,7 +17,7 @@ CH$LINK: CHEBI CHEBI:9071 CH$LINK: CHEMPDB DEC CH$LINK: KEGG C08277 CH$LINK: NIKKAJI J10.109E -CH$LINK: PUBCHEM SID:10475 +CH$LINK: PUBCHEM CID:5192 CH$LINK: INCHIKEY CXMXRPHRNRROMY-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID7026867 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO001812.txt b/Keio_Univ/MSBNK-Keio_Univ-KO001812.txt index ebab3c762c7..5c59fc96496 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO001812.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO001812.txt @@ -14,7 +14,7 @@ CH$IUPAC: InChI=1S/C9H10O5/c1-13-6-3-5(9(11)12)4-7(14-2)8(6)10/h3-4,10H,1-2H3,(H CH$LINK: CAS 530-57-4 CH$LINK: KEGG C10833 CH$LINK: NIKKAJI J11.712I -CH$LINK: PUBCHEM SID:13016 +CH$LINK: PUBCHEM CID:10742 CH$LINK: INCHIKEY JMSVCTWVEWCHDZ-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID0060191 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO001813.txt b/Keio_Univ/MSBNK-Keio_Univ-KO001813.txt index cb8089988b2..bad3359d9a7 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO001813.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO001813.txt @@ -14,7 +14,7 @@ CH$IUPAC: InChI=1S/C9H10O5/c1-13-6-3-5(9(11)12)4-7(14-2)8(6)10/h3-4,10H,1-2H3,(H CH$LINK: CAS 530-57-4 CH$LINK: KEGG C10833 CH$LINK: NIKKAJI J11.712I -CH$LINK: PUBCHEM SID:13016 +CH$LINK: PUBCHEM CID:10742 CH$LINK: INCHIKEY JMSVCTWVEWCHDZ-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID0060191 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO001814.txt b/Keio_Univ/MSBNK-Keio_Univ-KO001814.txt index b27a094cf20..ccc27f009c0 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO001814.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO001814.txt @@ -14,7 +14,7 @@ CH$IUPAC: InChI=1S/C9H10O5/c1-13-6-3-5(9(11)12)4-7(14-2)8(6)10/h3-4,10H,1-2H3,(H CH$LINK: CAS 530-57-4 CH$LINK: KEGG C10833 CH$LINK: NIKKAJI J11.712I -CH$LINK: PUBCHEM SID:13016 +CH$LINK: PUBCHEM CID:10742 CH$LINK: INCHIKEY JMSVCTWVEWCHDZ-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID0060191 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO001815.txt b/Keio_Univ/MSBNK-Keio_Univ-KO001815.txt index 341ff679419..b3dfa1f176a 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO001815.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO001815.txt @@ -14,7 +14,7 @@ CH$IUPAC: InChI=1S/C9H10O5/c1-13-6-3-5(9(11)12)4-7(14-2)8(6)10/h3-4,10H,1-2H3,(H CH$LINK: CAS 530-57-4 CH$LINK: KEGG C10833 CH$LINK: NIKKAJI J11.712I -CH$LINK: PUBCHEM SID:13016 +CH$LINK: PUBCHEM CID:10742 CH$LINK: INCHIKEY JMSVCTWVEWCHDZ-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID0060191 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO001816.txt b/Keio_Univ/MSBNK-Keio_Univ-KO001816.txt index 1ee80764467..a3c607778cd 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO001816.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO001816.txt @@ -14,7 +14,7 @@ CH$IUPAC: InChI=1S/C9H10O5/c1-13-6-3-5(9(11)12)4-7(14-2)8(6)10/h3-4,10H,1-2H3,(H CH$LINK: CAS 530-57-4 CH$LINK: KEGG C10833 CH$LINK: NIKKAJI J11.712I -CH$LINK: PUBCHEM SID:13016 +CH$LINK: PUBCHEM CID:10742 CH$LINK: INCHIKEY JMSVCTWVEWCHDZ-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID0060191 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO001817.txt b/Keio_Univ/MSBNK-Keio_Univ-KO001817.txt index 6fb0e4b0640..f7666620128 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO001817.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO001817.txt @@ -20,7 +20,7 @@ CH$LINK: CHEBI CHEBI:30612 CH$LINK: CHEMPDB GKR CH$LINK: KEGG C00818 CH$LINK: NIKKAJI J9.318A -CH$LINK: PUBCHEM SID:4076 +CH$LINK: PUBCHEM CID:33037 CH$LINK: INCHIKEY DSLZVSRJTYRBFB-LLEIAEIESA-N CH$LINK: COMPTOX DTXSID60859455 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO001818.txt b/Keio_Univ/MSBNK-Keio_Univ-KO001818.txt index d2d379a9a93..201a59f9048 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO001818.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO001818.txt @@ -20,7 +20,7 @@ CH$LINK: CHEBI CHEBI:30612 CH$LINK: CHEMPDB GKR CH$LINK: KEGG C00818 CH$LINK: NIKKAJI J9.318A -CH$LINK: PUBCHEM SID:4076 +CH$LINK: PUBCHEM CID:33037 CH$LINK: INCHIKEY DSLZVSRJTYRBFB-LLEIAEIESA-N CH$LINK: COMPTOX DTXSID60859455 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO001819.txt b/Keio_Univ/MSBNK-Keio_Univ-KO001819.txt index 08cd10e56f5..3e7b551d3e4 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO001819.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO001819.txt @@ -20,7 +20,7 @@ CH$LINK: CHEBI CHEBI:30612 CH$LINK: CHEMPDB GKR CH$LINK: KEGG C00818 CH$LINK: NIKKAJI J9.318A -CH$LINK: PUBCHEM SID:4076 +CH$LINK: PUBCHEM CID:33037 CH$LINK: INCHIKEY DSLZVSRJTYRBFB-LLEIAEIESA-N CH$LINK: COMPTOX DTXSID60859455 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO001820.txt b/Keio_Univ/MSBNK-Keio_Univ-KO001820.txt index 99632cc3787..c40af5efa07 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO001820.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO001820.txt @@ -20,7 +20,7 @@ CH$LINK: CHEBI CHEBI:30612 CH$LINK: CHEMPDB GKR CH$LINK: KEGG C00818 CH$LINK: NIKKAJI J9.318A -CH$LINK: PUBCHEM SID:4076 +CH$LINK: PUBCHEM CID:33037 CH$LINK: INCHIKEY DSLZVSRJTYRBFB-LLEIAEIESA-N CH$LINK: COMPTOX DTXSID60859455 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO001821.txt b/Keio_Univ/MSBNK-Keio_Univ-KO001821.txt index 02bdc13c659..a957ad4f345 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO001821.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO001821.txt @@ -20,7 +20,7 @@ CH$LINK: CHEBI CHEBI:30612 CH$LINK: CHEMPDB GKR CH$LINK: KEGG C00818 CH$LINK: NIKKAJI J9.318A -CH$LINK: PUBCHEM SID:4076 +CH$LINK: PUBCHEM CID:33037 CH$LINK: INCHIKEY DSLZVSRJTYRBFB-LLEIAEIESA-N CH$LINK: COMPTOX DTXSID60859455 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO001827.txt b/Keio_Univ/MSBNK-Keio_Univ-KO001827.txt index 8b4482a0413..74e7523d153 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO001827.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO001827.txt @@ -15,7 +15,7 @@ CH$LINK: CHEBI CHEBI:17076 CH$LINK: CHEMPDB SRY CH$LINK: KEGG C00413 CH$LINK: NIKKAJI J4.500D -CH$LINK: PUBCHEM SID:3703 +CH$LINK: PUBCHEM CID:19649 CH$LINK: INCHIKEY UCSJYZPVAKXKNQ-HZYVHMACSA-N CH$LINK: COMPTOX DTXSID4023597 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO001828.txt b/Keio_Univ/MSBNK-Keio_Univ-KO001828.txt index 55aa607041d..d2dec4b165b 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO001828.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO001828.txt @@ -15,7 +15,7 @@ CH$LINK: CHEBI CHEBI:17076 CH$LINK: CHEMPDB SRY CH$LINK: KEGG C00413 CH$LINK: NIKKAJI J4.500D -CH$LINK: PUBCHEM SID:3703 +CH$LINK: PUBCHEM CID:19649 CH$LINK: INCHIKEY UCSJYZPVAKXKNQ-HZYVHMACSA-N CH$LINK: COMPTOX DTXSID4023597 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO001829.txt b/Keio_Univ/MSBNK-Keio_Univ-KO001829.txt index 7d2e26a31d2..b854f00a914 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO001829.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO001829.txt @@ -15,7 +15,7 @@ CH$LINK: CHEBI CHEBI:17076 CH$LINK: CHEMPDB SRY CH$LINK: KEGG C00413 CH$LINK: NIKKAJI J4.500D -CH$LINK: PUBCHEM SID:3703 +CH$LINK: PUBCHEM CID:19649 CH$LINK: INCHIKEY UCSJYZPVAKXKNQ-HZYVHMACSA-N CH$LINK: COMPTOX DTXSID4023597 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO001830.txt b/Keio_Univ/MSBNK-Keio_Univ-KO001830.txt index caa6e1f4c96..07e4f058a72 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO001830.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO001830.txt @@ -15,7 +15,7 @@ CH$LINK: CHEBI CHEBI:17076 CH$LINK: CHEMPDB SRY CH$LINK: KEGG C00413 CH$LINK: NIKKAJI J4.500D -CH$LINK: PUBCHEM SID:3703 +CH$LINK: PUBCHEM CID:19649 CH$LINK: INCHIKEY UCSJYZPVAKXKNQ-HZYVHMACSA-N CH$LINK: COMPTOX DTXSID4023597 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO001831.txt b/Keio_Univ/MSBNK-Keio_Univ-KO001831.txt index b5e39f1cc14..29259cf1484 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO001831.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO001831.txt @@ -15,7 +15,7 @@ CH$LINK: CHEBI CHEBI:17076 CH$LINK: CHEMPDB SRY CH$LINK: KEGG C00413 CH$LINK: NIKKAJI J4.500D -CH$LINK: PUBCHEM SID:3703 +CH$LINK: PUBCHEM CID:19649 CH$LINK: INCHIKEY UCSJYZPVAKXKNQ-HZYVHMACSA-N CH$LINK: COMPTOX DTXSID4023597 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO001832.txt b/Keio_Univ/MSBNK-Keio_Univ-KO001832.txt index 44732912c79..0d490324079 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO001832.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO001832.txt @@ -17,7 +17,7 @@ CH$LINK: CAS 32385-11-8 CH$LINK: CHEBI CHEBI:9169 CH$LINK: KEGG C00494 CH$LINK: NIKKAJI J342.544D -CH$LINK: PUBCHEM SID:3777 +CH$LINK: PUBCHEM CID:36119 CH$LINK: INCHIKEY URWAJWIAIPFPJE-YFMIWBNJSA-N AC$INSTRUMENT: API3000, Applied Biosystems AC$INSTRUMENT_TYPE: LC-ESI-QQ diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO001833.txt b/Keio_Univ/MSBNK-Keio_Univ-KO001833.txt index 116d4ea37f7..74211875b17 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO001833.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO001833.txt @@ -17,7 +17,7 @@ CH$LINK: CAS 32385-11-8 CH$LINK: CHEBI CHEBI:9169 CH$LINK: KEGG C00494 CH$LINK: NIKKAJI J342.544D -CH$LINK: PUBCHEM SID:3777 +CH$LINK: PUBCHEM CID:36119 CH$LINK: INCHIKEY URWAJWIAIPFPJE-YFMIWBNJSA-N AC$INSTRUMENT: API3000, Applied Biosystems AC$INSTRUMENT_TYPE: LC-ESI-QQ diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO001834.txt b/Keio_Univ/MSBNK-Keio_Univ-KO001834.txt index 737af611541..85de5123c7f 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO001834.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO001834.txt @@ -17,7 +17,7 @@ CH$LINK: CAS 32385-11-8 CH$LINK: CHEBI CHEBI:9169 CH$LINK: KEGG C00494 CH$LINK: NIKKAJI J342.544D -CH$LINK: PUBCHEM SID:3777 +CH$LINK: PUBCHEM CID:36119 CH$LINK: INCHIKEY URWAJWIAIPFPJE-YFMIWBNJSA-N AC$INSTRUMENT: API3000, Applied Biosystems AC$INSTRUMENT_TYPE: LC-ESI-QQ diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO001835.txt b/Keio_Univ/MSBNK-Keio_Univ-KO001835.txt index b6d78aa91e7..8d056d4286f 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO001835.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO001835.txt @@ -17,7 +17,7 @@ CH$LINK: CAS 32385-11-8 CH$LINK: CHEBI CHEBI:9169 CH$LINK: KEGG C00494 CH$LINK: NIKKAJI J342.544D -CH$LINK: PUBCHEM SID:3777 +CH$LINK: PUBCHEM CID:36119 CH$LINK: INCHIKEY URWAJWIAIPFPJE-YFMIWBNJSA-N AC$INSTRUMENT: API3000, Applied Biosystems AC$INSTRUMENT_TYPE: LC-ESI-QQ diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO001836.txt b/Keio_Univ/MSBNK-Keio_Univ-KO001836.txt index 27d23a730de..fdfcff1bed1 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO001836.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO001836.txt @@ -17,7 +17,7 @@ CH$LINK: CAS 32385-11-8 CH$LINK: CHEBI CHEBI:9169 CH$LINK: KEGG C00494 CH$LINK: NIKKAJI J342.544D -CH$LINK: PUBCHEM SID:3777 +CH$LINK: PUBCHEM CID:36119 CH$LINK: INCHIKEY URWAJWIAIPFPJE-YFMIWBNJSA-N AC$INSTRUMENT: API3000, Applied Biosystems AC$INSTRUMENT_TYPE: LC-ESI-QQ diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO001837.txt b/Keio_Univ/MSBNK-Keio_Univ-KO001837.txt index 1322ef3f656..1c222707c98 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO001837.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO001837.txt @@ -14,7 +14,7 @@ CH$IUPAC: InChI=1S/C6H15O9P/c7-1-3(8)5(10)6(11)4(9)2-15-16(12,13)14/h3-11H,1-2H2 CH$LINK: CAS 20479-58-7 CH$LINK: CHEBI CHEBI:17044 CH$LINK: KEGG C01096 -CH$LINK: PUBCHEM SID:4331 +CH$LINK: PUBCHEM CID:152306 CH$LINK: INCHIKEY GACTWZZMVMUKNG-SLPGGIOYSA-N AC$INSTRUMENT: API3000, Applied Biosystems AC$INSTRUMENT_TYPE: LC-ESI-QQ diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO001838.txt b/Keio_Univ/MSBNK-Keio_Univ-KO001838.txt index 342f97ab59c..2e6e518f10e 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO001838.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO001838.txt @@ -14,7 +14,7 @@ CH$IUPAC: InChI=1S/C6H15O9P/c7-1-3(8)5(10)6(11)4(9)2-15-16(12,13)14/h3-11H,1-2H2 CH$LINK: CAS 20479-58-7 CH$LINK: CHEBI CHEBI:17044 CH$LINK: KEGG C01096 -CH$LINK: PUBCHEM SID:4331 +CH$LINK: PUBCHEM CID:152306 CH$LINK: INCHIKEY GACTWZZMVMUKNG-SLPGGIOYSA-N AC$INSTRUMENT: API3000, Applied Biosystems AC$INSTRUMENT_TYPE: LC-ESI-QQ diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO001839.txt b/Keio_Univ/MSBNK-Keio_Univ-KO001839.txt index 28809544819..313d0b0737e 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO001839.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO001839.txt @@ -14,7 +14,7 @@ CH$IUPAC: InChI=1S/C6H15O9P/c7-1-3(8)5(10)6(11)4(9)2-15-16(12,13)14/h3-11H,1-2H2 CH$LINK: CAS 20479-58-7 CH$LINK: CHEBI CHEBI:17044 CH$LINK: KEGG C01096 -CH$LINK: PUBCHEM SID:4331 +CH$LINK: PUBCHEM CID:152306 CH$LINK: INCHIKEY GACTWZZMVMUKNG-SLPGGIOYSA-N AC$INSTRUMENT: API3000, Applied Biosystems AC$INSTRUMENT_TYPE: LC-ESI-QQ diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO001840.txt b/Keio_Univ/MSBNK-Keio_Univ-KO001840.txt index 6c32b449ed2..d6ca2a0ac05 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO001840.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO001840.txt @@ -14,7 +14,7 @@ CH$IUPAC: InChI=1S/C6H15O9P/c7-1-3(8)5(10)6(11)4(9)2-15-16(12,13)14/h3-11H,1-2H2 CH$LINK: CAS 20479-58-7 CH$LINK: CHEBI CHEBI:17044 CH$LINK: KEGG C01096 -CH$LINK: PUBCHEM SID:4331 +CH$LINK: PUBCHEM CID:152306 CH$LINK: INCHIKEY GACTWZZMVMUKNG-SLPGGIOYSA-N AC$INSTRUMENT: API3000, Applied Biosystems AC$INSTRUMENT_TYPE: LC-ESI-QQ diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO001841.txt b/Keio_Univ/MSBNK-Keio_Univ-KO001841.txt index 3538ff40b97..8186cee5539 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO001841.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO001841.txt @@ -14,7 +14,7 @@ CH$IUPAC: InChI=1S/C6H15O9P/c7-1-3(8)5(10)6(11)4(9)2-15-16(12,13)14/h3-11H,1-2H2 CH$LINK: CAS 20479-58-7 CH$LINK: CHEBI CHEBI:17044 CH$LINK: KEGG C01096 -CH$LINK: PUBCHEM SID:4331 +CH$LINK: PUBCHEM CID:152306 CH$LINK: INCHIKEY GACTWZZMVMUKNG-SLPGGIOYSA-N AC$INSTRUMENT: API3000, Applied Biosystems AC$INSTRUMENT_TYPE: LC-ESI-QQ diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO001842.txt b/Keio_Univ/MSBNK-Keio_Univ-KO001842.txt index 82cadf5b913..586035045d6 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO001842.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO001842.txt @@ -15,7 +15,7 @@ CH$LINK: CAS 636-78-2 CH$LINK: CHEBI CHEBI:30789 CH$LINK: KEGG C02236 CH$LINK: NIKKAJI J135.893F -CH$LINK: PUBCHEM SID:5300 +CH$LINK: PUBCHEM CID:69469 CH$LINK: INCHIKEY HWAQOZGATRIYQG-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID90979817 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO001843.txt b/Keio_Univ/MSBNK-Keio_Univ-KO001843.txt index 0436eb14f5d..e7fbfe663a8 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO001843.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO001843.txt @@ -15,7 +15,7 @@ CH$LINK: CAS 636-78-2 CH$LINK: CHEBI CHEBI:30789 CH$LINK: KEGG C02236 CH$LINK: NIKKAJI J135.893F -CH$LINK: PUBCHEM SID:5300 +CH$LINK: PUBCHEM CID:69469 CH$LINK: INCHIKEY HWAQOZGATRIYQG-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID90979817 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO001844.txt b/Keio_Univ/MSBNK-Keio_Univ-KO001844.txt index 6935e3c8695..e21b45430b6 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO001844.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO001844.txt @@ -15,7 +15,7 @@ CH$LINK: CAS 636-78-2 CH$LINK: CHEBI CHEBI:30789 CH$LINK: KEGG C02236 CH$LINK: NIKKAJI J135.893F -CH$LINK: PUBCHEM SID:5300 +CH$LINK: PUBCHEM CID:69469 CH$LINK: INCHIKEY HWAQOZGATRIYQG-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID90979817 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO001845.txt b/Keio_Univ/MSBNK-Keio_Univ-KO001845.txt index 397be3f2075..19ae819b3e7 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO001845.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO001845.txt @@ -15,7 +15,7 @@ CH$LINK: CAS 636-78-2 CH$LINK: CHEBI CHEBI:30789 CH$LINK: KEGG C02236 CH$LINK: NIKKAJI J135.893F -CH$LINK: PUBCHEM SID:5300 +CH$LINK: PUBCHEM CID:69469 CH$LINK: INCHIKEY HWAQOZGATRIYQG-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID90979817 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO001846.txt b/Keio_Univ/MSBNK-Keio_Univ-KO001846.txt index 4ce6ebe6714..dc2e933d4ca 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO001846.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO001846.txt @@ -15,7 +15,7 @@ CH$LINK: CAS 636-78-2 CH$LINK: CHEBI CHEBI:30789 CH$LINK: KEGG C02236 CH$LINK: NIKKAJI J135.893F -CH$LINK: PUBCHEM SID:5300 +CH$LINK: PUBCHEM CID:69469 CH$LINK: INCHIKEY HWAQOZGATRIYQG-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID90979817 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO001847.txt b/Keio_Univ/MSBNK-Keio_Univ-KO001847.txt index 664de0b25f4..670dea1e997 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO001847.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO001847.txt @@ -17,7 +17,7 @@ CH$IUPAC: InChI=1S/C6H7NO3S/c7-5-1-3-6(4-2-5)11(8,9)10/h1-4H,7H2,(H,8,9,10) CH$LINK: CAS 121-57-3 CH$LINK: KEGG C06335 CH$LINK: NIKKAJI J2.924F -CH$LINK: PUBCHEM SID:8571 +CH$LINK: PUBCHEM CID:8479 CH$LINK: INCHIKEY HVBSAKJJOYLTQU-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID6024464 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO001848.txt b/Keio_Univ/MSBNK-Keio_Univ-KO001848.txt index d079ae15969..f88954da1b4 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO001848.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO001848.txt @@ -17,7 +17,7 @@ CH$IUPAC: InChI=1S/C6H7NO3S/c7-5-1-3-6(4-2-5)11(8,9)10/h1-4H,7H2,(H,8,9,10) CH$LINK: CAS 121-57-3 CH$LINK: KEGG C06335 CH$LINK: NIKKAJI J2.924F -CH$LINK: PUBCHEM SID:8571 +CH$LINK: PUBCHEM CID:8479 CH$LINK: INCHIKEY HVBSAKJJOYLTQU-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID6024464 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO001849.txt b/Keio_Univ/MSBNK-Keio_Univ-KO001849.txt index 88eba3a3f9d..259382cb296 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO001849.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO001849.txt @@ -17,7 +17,7 @@ CH$IUPAC: InChI=1S/C6H7NO3S/c7-5-1-3-6(4-2-5)11(8,9)10/h1-4H,7H2,(H,8,9,10) CH$LINK: CAS 121-57-3 CH$LINK: KEGG C06335 CH$LINK: NIKKAJI J2.924F -CH$LINK: PUBCHEM SID:8571 +CH$LINK: PUBCHEM CID:8479 CH$LINK: INCHIKEY HVBSAKJJOYLTQU-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID6024464 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO001850.txt b/Keio_Univ/MSBNK-Keio_Univ-KO001850.txt index 2fbbf30e61f..07b61f6f0dc 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO001850.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO001850.txt @@ -17,7 +17,7 @@ CH$IUPAC: InChI=1S/C6H7NO3S/c7-5-1-3-6(4-2-5)11(8,9)10/h1-4H,7H2,(H,8,9,10) CH$LINK: CAS 121-57-3 CH$LINK: KEGG C06335 CH$LINK: NIKKAJI J2.924F -CH$LINK: PUBCHEM SID:8571 +CH$LINK: PUBCHEM CID:8479 CH$LINK: INCHIKEY HVBSAKJJOYLTQU-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID6024464 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO001851.txt b/Keio_Univ/MSBNK-Keio_Univ-KO001851.txt index dfd2871ec40..a615d59faaa 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO001851.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO001851.txt @@ -17,7 +17,7 @@ CH$IUPAC: InChI=1S/C6H7NO3S/c7-5-1-3-6(4-2-5)11(8,9)10/h1-4H,7H2,(H,8,9,10) CH$LINK: CAS 121-57-3 CH$LINK: KEGG C06335 CH$LINK: NIKKAJI J2.924F -CH$LINK: PUBCHEM SID:8571 +CH$LINK: PUBCHEM CID:8479 CH$LINK: INCHIKEY HVBSAKJJOYLTQU-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID6024464 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO001852.txt b/Keio_Univ/MSBNK-Keio_Univ-KO001852.txt index 38945d2dce8..42539d4e2ec 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO001852.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO001852.txt @@ -13,7 +13,7 @@ CH$IUPAC: InChI=1S/C9H9N3O2S2/c10-7-1-3-8(4-2-7)16(13,14)12-9-11-5-6-15-9/h1-6H, CH$LINK: CAS 72-14-0 CH$LINK: KEGG C11169 CH$LINK: NIKKAJI J1.425G -CH$LINK: PUBCHEM SID:13351 +CH$LINK: PUBCHEM CID:5340 CH$LINK: INCHIKEY JNMRHUJNCSQMMB-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID8026068 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO001853.txt b/Keio_Univ/MSBNK-Keio_Univ-KO001853.txt index eb5fa705a3f..604e7b1a784 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO001853.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO001853.txt @@ -13,7 +13,7 @@ CH$IUPAC: InChI=1S/C9H9N3O2S2/c10-7-1-3-8(4-2-7)16(13,14)12-9-11-5-6-15-9/h1-6H, CH$LINK: CAS 72-14-0 CH$LINK: KEGG C11169 CH$LINK: NIKKAJI J1.425G -CH$LINK: PUBCHEM SID:13351 +CH$LINK: PUBCHEM CID:5340 CH$LINK: INCHIKEY JNMRHUJNCSQMMB-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID8026068 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO001854.txt b/Keio_Univ/MSBNK-Keio_Univ-KO001854.txt index d410d20d364..642f4898622 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO001854.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO001854.txt @@ -13,7 +13,7 @@ CH$IUPAC: InChI=1S/C9H9N3O2S2/c10-7-1-3-8(4-2-7)16(13,14)12-9-11-5-6-15-9/h1-6H, CH$LINK: CAS 72-14-0 CH$LINK: KEGG C11169 CH$LINK: NIKKAJI J1.425G -CH$LINK: PUBCHEM SID:13351 +CH$LINK: PUBCHEM CID:5340 CH$LINK: INCHIKEY JNMRHUJNCSQMMB-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID8026068 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO001855.txt b/Keio_Univ/MSBNK-Keio_Univ-KO001855.txt index 724d808ffc6..f463c9b8cdf 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO001855.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO001855.txt @@ -13,7 +13,7 @@ CH$IUPAC: InChI=1S/C9H9N3O2S2/c10-7-1-3-8(4-2-7)16(13,14)12-9-11-5-6-15-9/h1-6H, CH$LINK: CAS 72-14-0 CH$LINK: KEGG C11169 CH$LINK: NIKKAJI J1.425G -CH$LINK: PUBCHEM SID:13351 +CH$LINK: PUBCHEM CID:5340 CH$LINK: INCHIKEY JNMRHUJNCSQMMB-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID8026068 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO001856.txt b/Keio_Univ/MSBNK-Keio_Univ-KO001856.txt index 3cc771ef012..f2743d917f4 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO001856.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO001856.txt @@ -13,7 +13,7 @@ CH$IUPAC: InChI=1S/C9H9N3O2S2/c10-7-1-3-8(4-2-7)16(13,14)12-9-11-5-6-15-9/h1-6H, CH$LINK: CAS 72-14-0 CH$LINK: KEGG C11169 CH$LINK: NIKKAJI J1.425G -CH$LINK: PUBCHEM SID:13351 +CH$LINK: PUBCHEM CID:5340 CH$LINK: INCHIKEY JNMRHUJNCSQMMB-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID8026068 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO001862.txt b/Keio_Univ/MSBNK-Keio_Univ-KO001862.txt index c05552e95ea..b1b22c39760 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO001862.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO001862.txt @@ -18,7 +18,7 @@ CH$LINK: CHEBI CHEBI:17895 CH$LINK: CHEMPDB TYR CH$LINK: KEGG C00082 CH$LINK: NIKKAJI J9.173A -CH$LINK: PUBCHEM SID:3382 +CH$LINK: PUBCHEM CID:6057 CH$LINK: INCHIKEY OUYCCCASQSFEME-QMMMGPOBSA-N CH$LINK: COMPTOX DTXSID1023730 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO001863.txt b/Keio_Univ/MSBNK-Keio_Univ-KO001863.txt index f7fa9b3701f..f7888e11082 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO001863.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO001863.txt @@ -18,7 +18,7 @@ CH$LINK: CHEBI CHEBI:17895 CH$LINK: CHEMPDB TYR CH$LINK: KEGG C00082 CH$LINK: NIKKAJI J9.173A -CH$LINK: PUBCHEM SID:3382 +CH$LINK: PUBCHEM CID:6057 CH$LINK: INCHIKEY OUYCCCASQSFEME-QMMMGPOBSA-N CH$LINK: COMPTOX DTXSID1023730 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO001864.txt b/Keio_Univ/MSBNK-Keio_Univ-KO001864.txt index 43344444b81..75e78d79ea1 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO001864.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO001864.txt @@ -18,7 +18,7 @@ CH$LINK: CHEBI CHEBI:17895 CH$LINK: CHEMPDB TYR CH$LINK: KEGG C00082 CH$LINK: NIKKAJI J9.173A -CH$LINK: PUBCHEM SID:3382 +CH$LINK: PUBCHEM CID:6057 CH$LINK: INCHIKEY OUYCCCASQSFEME-QMMMGPOBSA-N CH$LINK: COMPTOX DTXSID1023730 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO001865.txt b/Keio_Univ/MSBNK-Keio_Univ-KO001865.txt index 209eb992879..8697fa40d65 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO001865.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO001865.txt @@ -18,7 +18,7 @@ CH$LINK: CHEBI CHEBI:17895 CH$LINK: CHEMPDB TYR CH$LINK: KEGG C00082 CH$LINK: NIKKAJI J9.173A -CH$LINK: PUBCHEM SID:3382 +CH$LINK: PUBCHEM CID:6057 CH$LINK: INCHIKEY OUYCCCASQSFEME-QMMMGPOBSA-N CH$LINK: COMPTOX DTXSID1023730 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO001866.txt b/Keio_Univ/MSBNK-Keio_Univ-KO001866.txt index 6b5d043f2d6..1b5d75204ad 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO001866.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO001866.txt @@ -18,7 +18,7 @@ CH$LINK: CHEBI CHEBI:17895 CH$LINK: CHEMPDB TYR CH$LINK: KEGG C00082 CH$LINK: NIKKAJI J9.173A -CH$LINK: PUBCHEM SID:3382 +CH$LINK: PUBCHEM CID:6057 CH$LINK: INCHIKEY OUYCCCASQSFEME-QMMMGPOBSA-N CH$LINK: COMPTOX DTXSID1023730 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO001872.txt b/Keio_Univ/MSBNK-Keio_Univ-KO001872.txt index 454234650d3..6924d9355a0 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO001872.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO001872.txt @@ -17,7 +17,7 @@ CH$LINK: CHEBI CHEBI:15891 CH$LINK: CHEMPDB TAU CH$LINK: KEGG C00245 CH$LINK: NIKKAJI J5.056C -CH$LINK: PUBCHEM SID:3544 +CH$LINK: PUBCHEM CID:1123 CH$LINK: INCHIKEY XOAAWQZATWQOTB-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID3021304 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO001873.txt b/Keio_Univ/MSBNK-Keio_Univ-KO001873.txt index 36c047dc50f..87c785c9274 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO001873.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO001873.txt @@ -17,7 +17,7 @@ CH$LINK: CHEBI CHEBI:15891 CH$LINK: CHEMPDB TAU CH$LINK: KEGG C00245 CH$LINK: NIKKAJI J5.056C -CH$LINK: PUBCHEM SID:3544 +CH$LINK: PUBCHEM CID:1123 CH$LINK: INCHIKEY XOAAWQZATWQOTB-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID3021304 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO001874.txt b/Keio_Univ/MSBNK-Keio_Univ-KO001874.txt index 6e7623aedeb..3d3c20c2b81 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO001874.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO001874.txt @@ -17,7 +17,7 @@ CH$LINK: CHEBI CHEBI:15891 CH$LINK: CHEMPDB TAU CH$LINK: KEGG C00245 CH$LINK: NIKKAJI J5.056C -CH$LINK: PUBCHEM SID:3544 +CH$LINK: PUBCHEM CID:1123 CH$LINK: INCHIKEY XOAAWQZATWQOTB-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID3021304 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO001875.txt b/Keio_Univ/MSBNK-Keio_Univ-KO001875.txt index ddc665229ca..d5425fb0388 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO001875.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO001875.txt @@ -17,7 +17,7 @@ CH$LINK: CHEBI CHEBI:15891 CH$LINK: CHEMPDB TAU CH$LINK: KEGG C00245 CH$LINK: NIKKAJI J5.056C -CH$LINK: PUBCHEM SID:3544 +CH$LINK: PUBCHEM CID:1123 CH$LINK: INCHIKEY XOAAWQZATWQOTB-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID3021304 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO001876.txt b/Keio_Univ/MSBNK-Keio_Univ-KO001876.txt index c5bdfec2114..beedd07724f 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO001876.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO001876.txt @@ -17,7 +17,7 @@ CH$LINK: CHEBI CHEBI:15891 CH$LINK: CHEMPDB TAU CH$LINK: KEGG C00245 CH$LINK: NIKKAJI J5.056C -CH$LINK: PUBCHEM SID:3544 +CH$LINK: PUBCHEM CID:1123 CH$LINK: INCHIKEY XOAAWQZATWQOTB-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID3021304 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO001881.txt b/Keio_Univ/MSBNK-Keio_Univ-KO001881.txt index 62213e04f32..c218189b4f2 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO001881.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO001881.txt @@ -15,7 +15,7 @@ CH$LINK: CAS 50-89-5 CH$LINK: CHEBI CHEBI:17748 CH$LINK: KEGG C00214 CH$LINK: NIKKAJI J4.548I -CH$LINK: PUBCHEM SID:3514 +CH$LINK: PUBCHEM CID:5789 CH$LINK: INCHIKEY IQFYYKKMVGJFEH-XLPZGREQSA-N CH$LINK: COMPTOX DTXSID5023661 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO001882.txt b/Keio_Univ/MSBNK-Keio_Univ-KO001882.txt index 0726c6ac5b3..33bdb39d00c 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO001882.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO001882.txt @@ -15,7 +15,7 @@ CH$LINK: CAS 50-89-5 CH$LINK: CHEBI CHEBI:17748 CH$LINK: KEGG C00214 CH$LINK: NIKKAJI J4.548I -CH$LINK: PUBCHEM SID:3514 +CH$LINK: PUBCHEM CID:5789 CH$LINK: INCHIKEY IQFYYKKMVGJFEH-XLPZGREQSA-N CH$LINK: COMPTOX DTXSID5023661 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO001883.txt b/Keio_Univ/MSBNK-Keio_Univ-KO001883.txt index 74acdfe0b59..139fcc0c64a 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO001883.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO001883.txt @@ -15,7 +15,7 @@ CH$LINK: CAS 50-89-5 CH$LINK: CHEBI CHEBI:17748 CH$LINK: KEGG C00214 CH$LINK: NIKKAJI J4.548I -CH$LINK: PUBCHEM SID:3514 +CH$LINK: PUBCHEM CID:5789 CH$LINK: INCHIKEY IQFYYKKMVGJFEH-XLPZGREQSA-N CH$LINK: COMPTOX DTXSID5023661 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO001884.txt b/Keio_Univ/MSBNK-Keio_Univ-KO001884.txt index 85769a17823..ce7229aa230 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO001884.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO001884.txt @@ -15,7 +15,7 @@ CH$LINK: CAS 50-89-5 CH$LINK: CHEBI CHEBI:17748 CH$LINK: KEGG C00214 CH$LINK: NIKKAJI J4.548I -CH$LINK: PUBCHEM SID:3514 +CH$LINK: PUBCHEM CID:5789 CH$LINK: INCHIKEY IQFYYKKMVGJFEH-XLPZGREQSA-N CH$LINK: COMPTOX DTXSID5023661 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO001885.txt b/Keio_Univ/MSBNK-Keio_Univ-KO001885.txt index 0a9a8f4f30e..3a06c8301a6 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO001885.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO001885.txt @@ -15,7 +15,7 @@ CH$LINK: CAS 50-89-5 CH$LINK: CHEBI CHEBI:17748 CH$LINK: KEGG C00214 CH$LINK: NIKKAJI J4.548I -CH$LINK: PUBCHEM SID:3514 +CH$LINK: PUBCHEM CID:5789 CH$LINK: INCHIKEY IQFYYKKMVGJFEH-XLPZGREQSA-N CH$LINK: COMPTOX DTXSID5023661 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO001886.txt b/Keio_Univ/MSBNK-Keio_Univ-KO001886.txt index 4ad474fe9fb..017e0a0cb09 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO001886.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO001886.txt @@ -15,7 +15,7 @@ CH$LINK: CHEBI CHEBI:17821 CH$LINK: CHEMPDB TDR CH$LINK: KEGG C00178 CH$LINK: NIKKAJI J2.357D -CH$LINK: PUBCHEM SID:3478 +CH$LINK: PUBCHEM CID:1135 CH$LINK: INCHIKEY RWQNBRDOKXIBIV-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID4052342 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO001887.txt b/Keio_Univ/MSBNK-Keio_Univ-KO001887.txt index 469022e7920..dd743d85668 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO001887.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO001887.txt @@ -15,7 +15,7 @@ CH$LINK: CHEBI CHEBI:17821 CH$LINK: CHEMPDB TDR CH$LINK: KEGG C00178 CH$LINK: NIKKAJI J2.357D -CH$LINK: PUBCHEM SID:3478 +CH$LINK: PUBCHEM CID:1135 CH$LINK: INCHIKEY RWQNBRDOKXIBIV-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID4052342 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO001888.txt b/Keio_Univ/MSBNK-Keio_Univ-KO001888.txt index b9176b68b10..3d34a067459 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO001888.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO001888.txt @@ -15,7 +15,7 @@ CH$LINK: CHEBI CHEBI:17821 CH$LINK: CHEMPDB TDR CH$LINK: KEGG C00178 CH$LINK: NIKKAJI J2.357D -CH$LINK: PUBCHEM SID:3478 +CH$LINK: PUBCHEM CID:1135 CH$LINK: INCHIKEY RWQNBRDOKXIBIV-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID4052342 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO001889.txt b/Keio_Univ/MSBNK-Keio_Univ-KO001889.txt index a5619d08de4..a075c7125ac 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO001889.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO001889.txt @@ -15,7 +15,7 @@ CH$LINK: CHEBI CHEBI:17821 CH$LINK: CHEMPDB TDR CH$LINK: KEGG C00178 CH$LINK: NIKKAJI J2.357D -CH$LINK: PUBCHEM SID:3478 +CH$LINK: PUBCHEM CID:1135 CH$LINK: INCHIKEY RWQNBRDOKXIBIV-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID4052342 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO001890.txt b/Keio_Univ/MSBNK-Keio_Univ-KO001890.txt index 71b7407cfac..f8edfa38179 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO001890.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO001890.txt @@ -15,7 +15,7 @@ CH$LINK: CHEBI CHEBI:17821 CH$LINK: CHEMPDB TDR CH$LINK: KEGG C00178 CH$LINK: NIKKAJI J2.357D -CH$LINK: PUBCHEM SID:3478 +CH$LINK: PUBCHEM CID:1135 CH$LINK: INCHIKEY RWQNBRDOKXIBIV-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID4052342 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO001891.txt b/Keio_Univ/MSBNK-Keio_Univ-KO001891.txt index eec05723128..e6e75c87607 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO001891.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO001891.txt @@ -15,7 +15,7 @@ CH$IUPAC: InChI=1S/C5H8O2/c1-3-4(2)5(6)7/h3H,1-2H3,(H,6,7)/b4-3+ CH$LINK: CAS 80-59-1 CH$LINK: KEGG C08279 CH$LINK: NIKKAJI J4.252H -CH$LINK: PUBCHEM SID:10477 +CH$LINK: PUBCHEM CID:125468 CH$LINK: INCHIKEY UIERETOOQGIECD-ONEGZZNKSA-N CH$LINK: COMPTOX DTXSID80883257 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO001892.txt b/Keio_Univ/MSBNK-Keio_Univ-KO001892.txt index 3dd3bb5423a..8e2fa35a3c2 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO001892.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO001892.txt @@ -15,7 +15,7 @@ CH$IUPAC: InChI=1S/C5H8O2/c1-3-4(2)5(6)7/h3H,1-2H3,(H,6,7)/b4-3+ CH$LINK: CAS 80-59-1 CH$LINK: KEGG C08279 CH$LINK: NIKKAJI J4.252H -CH$LINK: PUBCHEM SID:10477 +CH$LINK: PUBCHEM CID:125468 CH$LINK: INCHIKEY UIERETOOQGIECD-ONEGZZNKSA-N CH$LINK: COMPTOX DTXSID80883257 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO001893.txt b/Keio_Univ/MSBNK-Keio_Univ-KO001893.txt index 6a86f3a2b19..5d242023731 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO001893.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO001893.txt @@ -15,7 +15,7 @@ CH$IUPAC: InChI=1S/C5H8O2/c1-3-4(2)5(6)7/h3H,1-2H3,(H,6,7)/b4-3+ CH$LINK: CAS 80-59-1 CH$LINK: KEGG C08279 CH$LINK: NIKKAJI J4.252H -CH$LINK: PUBCHEM SID:10477 +CH$LINK: PUBCHEM CID:125468 CH$LINK: INCHIKEY UIERETOOQGIECD-ONEGZZNKSA-N CH$LINK: COMPTOX DTXSID80883257 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO001894.txt b/Keio_Univ/MSBNK-Keio_Univ-KO001894.txt index b44e9d3789b..035622ddb25 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO001894.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO001894.txt @@ -15,7 +15,7 @@ CH$IUPAC: InChI=1S/C5H8O2/c1-3-4(2)5(6)7/h3H,1-2H3,(H,6,7)/b4-3+ CH$LINK: CAS 80-59-1 CH$LINK: KEGG C08279 CH$LINK: NIKKAJI J4.252H -CH$LINK: PUBCHEM SID:10477 +CH$LINK: PUBCHEM CID:125468 CH$LINK: INCHIKEY UIERETOOQGIECD-ONEGZZNKSA-N CH$LINK: COMPTOX DTXSID80883257 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO001899.txt b/Keio_Univ/MSBNK-Keio_Univ-KO001899.txt index 052f325120d..887cc2a0ec9 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO001899.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO001899.txt @@ -23,7 +23,7 @@ CH$LINK: CAS 87-69-4 CH$LINK: CHEBI CHEBI:15671 CH$LINK: KEGG C00898 CH$LINK: NIKKAJI J31.839F -CH$LINK: PUBCHEM SID:4154 +CH$LINK: PUBCHEM CID:444305 CH$LINK: INCHIKEY FEWJPZIEWOKRBE-JCYAYHJZSA-N CH$LINK: COMPTOX DTXSID8023632 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO001900.txt b/Keio_Univ/MSBNK-Keio_Univ-KO001900.txt index 42f00d16bbd..98432d88f22 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO001900.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO001900.txt @@ -23,7 +23,7 @@ CH$LINK: CAS 87-69-4 CH$LINK: CHEBI CHEBI:15671 CH$LINK: KEGG C00898 CH$LINK: NIKKAJI J31.839F -CH$LINK: PUBCHEM SID:4154 +CH$LINK: PUBCHEM CID:444305 CH$LINK: INCHIKEY FEWJPZIEWOKRBE-JCYAYHJZSA-N CH$LINK: COMPTOX DTXSID8023632 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO001901.txt b/Keio_Univ/MSBNK-Keio_Univ-KO001901.txt index 6c50f630a0c..0b134b46591 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO001901.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO001901.txt @@ -23,7 +23,7 @@ CH$LINK: CAS 87-69-4 CH$LINK: CHEBI CHEBI:15671 CH$LINK: KEGG C00898 CH$LINK: NIKKAJI J31.839F -CH$LINK: PUBCHEM SID:4154 +CH$LINK: PUBCHEM CID:444305 CH$LINK: INCHIKEY FEWJPZIEWOKRBE-JCYAYHJZSA-N CH$LINK: COMPTOX DTXSID8023632 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO001902.txt b/Keio_Univ/MSBNK-Keio_Univ-KO001902.txt index 245e4f27431..d4e33e411f5 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO001902.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO001902.txt @@ -23,7 +23,7 @@ CH$LINK: CAS 87-69-4 CH$LINK: CHEBI CHEBI:15671 CH$LINK: KEGG C00898 CH$LINK: NIKKAJI J31.839F -CH$LINK: PUBCHEM SID:4154 +CH$LINK: PUBCHEM CID:444305 CH$LINK: INCHIKEY FEWJPZIEWOKRBE-JCYAYHJZSA-N CH$LINK: COMPTOX DTXSID8023632 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO001903.txt b/Keio_Univ/MSBNK-Keio_Univ-KO001903.txt index ae90b578594..3593789ae08 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO001903.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO001903.txt @@ -23,7 +23,7 @@ CH$LINK: CAS 87-69-4 CH$LINK: CHEBI CHEBI:15671 CH$LINK: KEGG C00898 CH$LINK: NIKKAJI J31.839F -CH$LINK: PUBCHEM SID:4154 +CH$LINK: PUBCHEM CID:444305 CH$LINK: INCHIKEY FEWJPZIEWOKRBE-JCYAYHJZSA-N CH$LINK: COMPTOX DTXSID8023632 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO001904.txt b/Keio_Univ/MSBNK-Keio_Univ-KO001904.txt index 554a5537fd0..c005d947186 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO001904.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO001904.txt @@ -16,7 +16,7 @@ CH$LINK: CHEBI CHEBI:28177 CH$LINK: CHEMPDB TEP CH$LINK: KEGG C07130 CH$LINK: NIKKAJI J2.333G -CH$LINK: PUBCHEM SID:9340 +CH$LINK: PUBCHEM CID:2153 CH$LINK: INCHIKEY ZFXYFBGIUFBOJW-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID5021336 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO001905.txt b/Keio_Univ/MSBNK-Keio_Univ-KO001905.txt index 4d4f4ca20a3..a0cb7c0c5a7 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO001905.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO001905.txt @@ -16,7 +16,7 @@ CH$LINK: CHEBI CHEBI:28177 CH$LINK: CHEMPDB TEP CH$LINK: KEGG C07130 CH$LINK: NIKKAJI J2.333G -CH$LINK: PUBCHEM SID:9340 +CH$LINK: PUBCHEM CID:2153 CH$LINK: INCHIKEY ZFXYFBGIUFBOJW-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID5021336 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO001906.txt b/Keio_Univ/MSBNK-Keio_Univ-KO001906.txt index 9676f43a4d3..f57231c914b 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO001906.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO001906.txt @@ -16,7 +16,7 @@ CH$LINK: CHEBI CHEBI:28177 CH$LINK: CHEMPDB TEP CH$LINK: KEGG C07130 CH$LINK: NIKKAJI J2.333G -CH$LINK: PUBCHEM SID:9340 +CH$LINK: PUBCHEM CID:2153 CH$LINK: INCHIKEY ZFXYFBGIUFBOJW-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID5021336 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO001907.txt b/Keio_Univ/MSBNK-Keio_Univ-KO001907.txt index 6bea7eb0876..9a5d656a32c 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO001907.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO001907.txt @@ -16,7 +16,7 @@ CH$LINK: CHEBI CHEBI:28177 CH$LINK: CHEMPDB TEP CH$LINK: KEGG C07130 CH$LINK: NIKKAJI J2.333G -CH$LINK: PUBCHEM SID:9340 +CH$LINK: PUBCHEM CID:2153 CH$LINK: INCHIKEY ZFXYFBGIUFBOJW-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID5021336 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO001908.txt b/Keio_Univ/MSBNK-Keio_Univ-KO001908.txt index de9b315d4d8..3ce484843a9 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO001908.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO001908.txt @@ -16,7 +16,7 @@ CH$LINK: CHEBI CHEBI:28177 CH$LINK: CHEMPDB TEP CH$LINK: KEGG C07130 CH$LINK: NIKKAJI J2.333G -CH$LINK: PUBCHEM SID:9340 +CH$LINK: PUBCHEM CID:2153 CH$LINK: INCHIKEY ZFXYFBGIUFBOJW-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID5021336 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO001909.txt b/Keio_Univ/MSBNK-Keio_Univ-KO001909.txt index 78c724edc6d..12aec3730f7 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO001909.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO001909.txt @@ -16,7 +16,7 @@ CH$IUPAC: InChI=1S/C8H8O2/c1-6-4-2-3-5-7(6)8(9)10/h2-5H,1H3,(H,9,10) CH$LINK: CAS 118-90-1 CH$LINK: KEGG C07215 CH$LINK: NIKKAJI J10.074I -CH$LINK: PUBCHEM SID:9424 +CH$LINK: PUBCHEM CID:8373 CH$LINK: INCHIKEY ZWLPBLYKEWSWPD-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID6026161 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO001910.txt b/Keio_Univ/MSBNK-Keio_Univ-KO001910.txt index b3063dbfade..cde2ad217b7 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO001910.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO001910.txt @@ -16,7 +16,7 @@ CH$IUPAC: InChI=1S/C8H8O2/c1-6-4-2-3-5-7(6)8(9)10/h2-5H,1H3,(H,9,10) CH$LINK: CAS 118-90-1 CH$LINK: KEGG C07215 CH$LINK: NIKKAJI J10.074I -CH$LINK: PUBCHEM SID:9424 +CH$LINK: PUBCHEM CID:8373 CH$LINK: INCHIKEY ZWLPBLYKEWSWPD-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID6026161 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO001911.txt b/Keio_Univ/MSBNK-Keio_Univ-KO001911.txt index a5455890ed1..3638314b8c1 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO001911.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO001911.txt @@ -16,7 +16,7 @@ CH$IUPAC: InChI=1S/C8H8O2/c1-6-4-2-3-5-7(6)8(9)10/h2-5H,1H3,(H,9,10) CH$LINK: CAS 118-90-1 CH$LINK: KEGG C07215 CH$LINK: NIKKAJI J10.074I -CH$LINK: PUBCHEM SID:9424 +CH$LINK: PUBCHEM CID:8373 CH$LINK: INCHIKEY ZWLPBLYKEWSWPD-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID6026161 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO001912.txt b/Keio_Univ/MSBNK-Keio_Univ-KO001912.txt index 3ee711a22c2..7a51f248c3c 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO001912.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO001912.txt @@ -16,7 +16,7 @@ CH$IUPAC: InChI=1S/C8H8O2/c1-6-4-2-3-5-7(6)8(9)10/h2-5H,1H3,(H,9,10) CH$LINK: CAS 118-90-1 CH$LINK: KEGG C07215 CH$LINK: NIKKAJI J10.074I -CH$LINK: PUBCHEM SID:9424 +CH$LINK: PUBCHEM CID:8373 CH$LINK: INCHIKEY ZWLPBLYKEWSWPD-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID6026161 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO001913.txt b/Keio_Univ/MSBNK-Keio_Univ-KO001913.txt index 4c2ac94ac9b..ff316dddd65 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO001913.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO001913.txt @@ -21,7 +21,7 @@ CH$LINK: CHEBI CHEBI:18258 CH$LINK: CHEMPDB T3 CH$LINK: KEGG C02465 CH$LINK: NIKKAJI J85.948F -CH$LINK: PUBCHEM SID:5481 +CH$LINK: PUBCHEM CID:5920 CH$LINK: INCHIKEY AUYYCJSJGJYCDS-LBPRGKRZSA-N CH$LINK: COMPTOX DTXSID8023216 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO001914.txt b/Keio_Univ/MSBNK-Keio_Univ-KO001914.txt index b9acd49f3c4..e7798b51e3a 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO001914.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO001914.txt @@ -21,7 +21,7 @@ CH$LINK: CHEBI CHEBI:18258 CH$LINK: CHEMPDB T3 CH$LINK: KEGG C02465 CH$LINK: NIKKAJI J85.948F -CH$LINK: PUBCHEM SID:5481 +CH$LINK: PUBCHEM CID:5920 CH$LINK: INCHIKEY AUYYCJSJGJYCDS-LBPRGKRZSA-N CH$LINK: COMPTOX DTXSID8023216 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO001915.txt b/Keio_Univ/MSBNK-Keio_Univ-KO001915.txt index 6c34376ff18..45fcc38783a 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO001915.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO001915.txt @@ -21,7 +21,7 @@ CH$LINK: CHEBI CHEBI:18258 CH$LINK: CHEMPDB T3 CH$LINK: KEGG C02465 CH$LINK: NIKKAJI J85.948F -CH$LINK: PUBCHEM SID:5481 +CH$LINK: PUBCHEM CID:5920 CH$LINK: INCHIKEY AUYYCJSJGJYCDS-LBPRGKRZSA-N CH$LINK: COMPTOX DTXSID8023216 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO001916.txt b/Keio_Univ/MSBNK-Keio_Univ-KO001916.txt index 35b881aad79..eb6b7d4e5d7 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO001916.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO001916.txt @@ -21,7 +21,7 @@ CH$LINK: CHEBI CHEBI:18258 CH$LINK: CHEMPDB T3 CH$LINK: KEGG C02465 CH$LINK: NIKKAJI J85.948F -CH$LINK: PUBCHEM SID:5481 +CH$LINK: PUBCHEM CID:5920 CH$LINK: INCHIKEY AUYYCJSJGJYCDS-LBPRGKRZSA-N CH$LINK: COMPTOX DTXSID8023216 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO001917.txt b/Keio_Univ/MSBNK-Keio_Univ-KO001917.txt index f62fb1eda6e..a8e5e477f9a 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO001917.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO001917.txt @@ -21,7 +21,7 @@ CH$LINK: CHEBI CHEBI:18258 CH$LINK: CHEMPDB T3 CH$LINK: KEGG C02465 CH$LINK: NIKKAJI J85.948F -CH$LINK: PUBCHEM SID:5481 +CH$LINK: PUBCHEM CID:5920 CH$LINK: INCHIKEY AUYYCJSJGJYCDS-LBPRGKRZSA-N CH$LINK: COMPTOX DTXSID8023216 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO001923.txt b/Keio_Univ/MSBNK-Keio_Univ-KO001923.txt index a3ca245bc83..6f612b129d9 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO001923.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO001923.txt @@ -17,7 +17,7 @@ CH$LINK: CAS 80-69-3 CH$LINK: CHEBI CHEBI:16513 CH$LINK: KEGG C02287 CH$LINK: NIKKAJI J4.253F -CH$LINK: PUBCHEM SID:5343 +CH$LINK: PUBCHEM CID:45 CH$LINK: INCHIKEY ROBFUDYVXSDBQM-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID6075358 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO001924.txt b/Keio_Univ/MSBNK-Keio_Univ-KO001924.txt index 03062106efc..f05a7b47ea3 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO001924.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO001924.txt @@ -17,7 +17,7 @@ CH$LINK: CAS 80-69-3 CH$LINK: CHEBI CHEBI:16513 CH$LINK: KEGG C02287 CH$LINK: NIKKAJI J4.253F -CH$LINK: PUBCHEM SID:5343 +CH$LINK: PUBCHEM CID:45 CH$LINK: INCHIKEY ROBFUDYVXSDBQM-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID6075358 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO001925.txt b/Keio_Univ/MSBNK-Keio_Univ-KO001925.txt index 08517612dac..aa2acd704e5 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO001925.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO001925.txt @@ -17,7 +17,7 @@ CH$LINK: CAS 80-69-3 CH$LINK: CHEBI CHEBI:16513 CH$LINK: KEGG C02287 CH$LINK: NIKKAJI J4.253F -CH$LINK: PUBCHEM SID:5343 +CH$LINK: PUBCHEM CID:45 CH$LINK: INCHIKEY ROBFUDYVXSDBQM-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID6075358 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO001926.txt b/Keio_Univ/MSBNK-Keio_Univ-KO001926.txt index ade1e29847c..c821662cd39 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO001926.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO001926.txt @@ -17,7 +17,7 @@ CH$LINK: CAS 80-69-3 CH$LINK: CHEBI CHEBI:16513 CH$LINK: KEGG C02287 CH$LINK: NIKKAJI J4.253F -CH$LINK: PUBCHEM SID:5343 +CH$LINK: PUBCHEM CID:45 CH$LINK: INCHIKEY ROBFUDYVXSDBQM-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID6075358 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO001927.txt b/Keio_Univ/MSBNK-Keio_Univ-KO001927.txt index e4602b8110f..803cbd94399 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO001927.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO001927.txt @@ -17,7 +17,7 @@ CH$LINK: CAS 80-69-3 CH$LINK: CHEBI CHEBI:16513 CH$LINK: KEGG C02287 CH$LINK: NIKKAJI J4.253F -CH$LINK: PUBCHEM SID:5343 +CH$LINK: PUBCHEM CID:45 CH$LINK: INCHIKEY ROBFUDYVXSDBQM-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID6075358 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO001928.txt b/Keio_Univ/MSBNK-Keio_Univ-KO001928.txt index 5033d487c27..7dff4a409bd 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO001928.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO001928.txt @@ -12,7 +12,7 @@ CH$EXACT_MASS: 203.10586 CH$SMILES: C1=CC=C2C(=C1)C(=CN2)C[C@@H](C(=O)N)N CH$IUPAC: InChI=1S/C11H13N3O/c12-9(11(13)15)5-7-6-14-10-4-2-1-3-8(7)10/h1-4,6,9,14H,5,12H2,(H2,13,15)/t9-/m0/s1 CH$LINK: KEGG C00977 -CH$LINK: PUBCHEM SID:4226 +CH$LINK: PUBCHEM CID:439356 CH$LINK: INCHIKEY JLSKPBDKNIXMBS-VIFPVBQESA-N AC$INSTRUMENT: API3000, Applied Biosystems AC$INSTRUMENT_TYPE: LC-ESI-QQ diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO001929.txt b/Keio_Univ/MSBNK-Keio_Univ-KO001929.txt index ef8c549e914..687c9d31a48 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO001929.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO001929.txt @@ -12,7 +12,7 @@ CH$EXACT_MASS: 203.10586 CH$SMILES: C1=CC=C2C(=C1)C(=CN2)C[C@@H](C(=O)N)N CH$IUPAC: InChI=1S/C11H13N3O/c12-9(11(13)15)5-7-6-14-10-4-2-1-3-8(7)10/h1-4,6,9,14H,5,12H2,(H2,13,15)/t9-/m0/s1 CH$LINK: KEGG C00977 -CH$LINK: PUBCHEM SID:4226 +CH$LINK: PUBCHEM CID:439356 CH$LINK: INCHIKEY JLSKPBDKNIXMBS-VIFPVBQESA-N AC$INSTRUMENT: API3000, Applied Biosystems AC$INSTRUMENT_TYPE: LC-ESI-QQ diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO001930.txt b/Keio_Univ/MSBNK-Keio_Univ-KO001930.txt index 99e85d88aa1..95e38979acd 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO001930.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO001930.txt @@ -12,7 +12,7 @@ CH$EXACT_MASS: 203.10586 CH$SMILES: C1=CC=C2C(=C1)C(=CN2)C[C@@H](C(=O)N)N CH$IUPAC: InChI=1S/C11H13N3O/c12-9(11(13)15)5-7-6-14-10-4-2-1-3-8(7)10/h1-4,6,9,14H,5,12H2,(H2,13,15)/t9-/m0/s1 CH$LINK: KEGG C00977 -CH$LINK: PUBCHEM SID:4226 +CH$LINK: PUBCHEM CID:439356 CH$LINK: INCHIKEY JLSKPBDKNIXMBS-VIFPVBQESA-N AC$INSTRUMENT: API3000, Applied Biosystems AC$INSTRUMENT_TYPE: LC-ESI-QQ diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO001931.txt b/Keio_Univ/MSBNK-Keio_Univ-KO001931.txt index cebd00a6bf8..ad8279887e2 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO001931.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO001931.txt @@ -12,7 +12,7 @@ CH$EXACT_MASS: 203.10586 CH$SMILES: C1=CC=C2C(=C1)C(=CN2)C[C@@H](C(=O)N)N CH$IUPAC: InChI=1S/C11H13N3O/c12-9(11(13)15)5-7-6-14-10-4-2-1-3-8(7)10/h1-4,6,9,14H,5,12H2,(H2,13,15)/t9-/m0/s1 CH$LINK: KEGG C00977 -CH$LINK: PUBCHEM SID:4226 +CH$LINK: PUBCHEM CID:439356 CH$LINK: INCHIKEY JLSKPBDKNIXMBS-VIFPVBQESA-N AC$INSTRUMENT: API3000, Applied Biosystems AC$INSTRUMENT_TYPE: LC-ESI-QQ diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO001932.txt b/Keio_Univ/MSBNK-Keio_Univ-KO001932.txt index c9c83ff1a7c..49a053bfe2f 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO001932.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO001932.txt @@ -12,7 +12,7 @@ CH$EXACT_MASS: 203.10586 CH$SMILES: C1=CC=C2C(=C1)C(=CN2)C[C@@H](C(=O)N)N CH$IUPAC: InChI=1S/C11H13N3O/c12-9(11(13)15)5-7-6-14-10-4-2-1-3-8(7)10/h1-4,6,9,14H,5,12H2,(H2,13,15)/t9-/m0/s1 CH$LINK: KEGG C00977 -CH$LINK: PUBCHEM SID:4226 +CH$LINK: PUBCHEM CID:439356 CH$LINK: INCHIKEY JLSKPBDKNIXMBS-VIFPVBQESA-N AC$INSTRUMENT: API3000, Applied Biosystems AC$INSTRUMENT_TYPE: LC-ESI-QQ diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO001933.txt b/Keio_Univ/MSBNK-Keio_Univ-KO001933.txt index ecfc004dcf7..623e5fb72d2 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO001933.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO001933.txt @@ -18,7 +18,7 @@ CH$LINK: CAS 59-43-8 CH$LINK: CHEBI CHEBI:18385 CH$LINK: KEGG C00378 CH$LINK: NIKKAJI J203.781E -CH$LINK: PUBCHEM SID:3668 +CH$LINK: PUBCHEM CID:1130 CH$LINK: INCHIKEY JZRWCGZRTZMZEH-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID50220251 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO001934.txt b/Keio_Univ/MSBNK-Keio_Univ-KO001934.txt index d1806a58961..2866d201407 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO001934.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO001934.txt @@ -18,7 +18,7 @@ CH$LINK: CAS 59-43-8 CH$LINK: CHEBI CHEBI:18385 CH$LINK: KEGG C00378 CH$LINK: NIKKAJI J203.781E -CH$LINK: PUBCHEM SID:3668 +CH$LINK: PUBCHEM CID:1130 CH$LINK: INCHIKEY JZRWCGZRTZMZEH-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID50220251 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO001935.txt b/Keio_Univ/MSBNK-Keio_Univ-KO001935.txt index 5fb8e83a750..5469b01f8a7 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO001935.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO001935.txt @@ -18,7 +18,7 @@ CH$LINK: CAS 59-43-8 CH$LINK: CHEBI CHEBI:18385 CH$LINK: KEGG C00378 CH$LINK: NIKKAJI J203.781E -CH$LINK: PUBCHEM SID:3668 +CH$LINK: PUBCHEM CID:1130 CH$LINK: INCHIKEY JZRWCGZRTZMZEH-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID50220251 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO001936.txt b/Keio_Univ/MSBNK-Keio_Univ-KO001936.txt index 64ddfa5626f..fa0f607a048 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO001936.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO001936.txt @@ -18,7 +18,7 @@ CH$LINK: CAS 59-43-8 CH$LINK: CHEBI CHEBI:18385 CH$LINK: KEGG C00378 CH$LINK: NIKKAJI J203.781E -CH$LINK: PUBCHEM SID:3668 +CH$LINK: PUBCHEM CID:1130 CH$LINK: INCHIKEY JZRWCGZRTZMZEH-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID50220251 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO001937.txt b/Keio_Univ/MSBNK-Keio_Univ-KO001937.txt index 859dfeef395..66d15738903 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO001937.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO001937.txt @@ -18,7 +18,7 @@ CH$LINK: CAS 59-43-8 CH$LINK: CHEBI CHEBI:18385 CH$LINK: KEGG C00378 CH$LINK: NIKKAJI J203.781E -CH$LINK: PUBCHEM SID:3668 +CH$LINK: PUBCHEM CID:1130 CH$LINK: INCHIKEY JZRWCGZRTZMZEH-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID50220251 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO001938.txt b/Keio_Univ/MSBNK-Keio_Univ-KO001938.txt index e5575f35534..768de6cb75f 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO001938.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO001938.txt @@ -18,7 +18,7 @@ CH$LINK: CAS 532-40-1 CH$LINK: CHEBI CHEBI:18338 CH$LINK: KEGG C01081 CH$LINK: NIKKAJI J244.613H -CH$LINK: PUBCHEM SID:4319 +CH$LINK: PUBCHEM CID:1131 CH$LINK: INCHIKEY HZSAJDVWZRBGIF-UHFFFAOYSA-O CH$LINK: COMPTOX DTXSID6048389 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO001939.txt b/Keio_Univ/MSBNK-Keio_Univ-KO001939.txt index a4cfbfcb62c..4872b37a4e3 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO001939.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO001939.txt @@ -18,7 +18,7 @@ CH$LINK: CAS 532-40-1 CH$LINK: CHEBI CHEBI:18338 CH$LINK: KEGG C01081 CH$LINK: NIKKAJI J244.613H -CH$LINK: PUBCHEM SID:4319 +CH$LINK: PUBCHEM CID:1131 CH$LINK: INCHIKEY HZSAJDVWZRBGIF-UHFFFAOYSA-O CH$LINK: COMPTOX DTXSID6048389 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO001940.txt b/Keio_Univ/MSBNK-Keio_Univ-KO001940.txt index e165028724c..eccf2726ff3 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO001940.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO001940.txt @@ -18,7 +18,7 @@ CH$LINK: CAS 532-40-1 CH$LINK: CHEBI CHEBI:18338 CH$LINK: KEGG C01081 CH$LINK: NIKKAJI J244.613H -CH$LINK: PUBCHEM SID:4319 +CH$LINK: PUBCHEM CID:1131 CH$LINK: INCHIKEY HZSAJDVWZRBGIF-UHFFFAOYSA-O CH$LINK: COMPTOX DTXSID6048389 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO001941.txt b/Keio_Univ/MSBNK-Keio_Univ-KO001941.txt index 01033e47b86..a02aa4d2fe2 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO001941.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO001941.txt @@ -18,7 +18,7 @@ CH$LINK: CAS 532-40-1 CH$LINK: CHEBI CHEBI:18338 CH$LINK: KEGG C01081 CH$LINK: NIKKAJI J244.613H -CH$LINK: PUBCHEM SID:4319 +CH$LINK: PUBCHEM CID:1131 CH$LINK: INCHIKEY HZSAJDVWZRBGIF-UHFFFAOYSA-O CH$LINK: COMPTOX DTXSID6048389 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO001942.txt b/Keio_Univ/MSBNK-Keio_Univ-KO001942.txt index d8debd85e99..36d32e93a4a 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO001942.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO001942.txt @@ -18,7 +18,7 @@ CH$LINK: CAS 532-40-1 CH$LINK: CHEBI CHEBI:18338 CH$LINK: KEGG C01081 CH$LINK: NIKKAJI J244.613H -CH$LINK: PUBCHEM SID:4319 +CH$LINK: PUBCHEM CID:1131 CH$LINK: INCHIKEY HZSAJDVWZRBGIF-UHFFFAOYSA-O CH$LINK: COMPTOX DTXSID6048389 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO001943.txt b/Keio_Univ/MSBNK-Keio_Univ-KO001943.txt index a6a15ceec69..396485ac80a 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO001943.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO001943.txt @@ -15,7 +15,7 @@ CH$IUPAC: InChI=1S/C9H10O3/c10-6-8(9(11)12)7-4-2-1-3-5-7/h1-5,8,10H,6H2,(H,11,12 CH$LINK: CAS 529-64-6 552-63-6 CH$LINK: CHEBI CHEBI:30765 CH$LINK: KEGG C01456 -CH$LINK: PUBCHEM SID:4633 +CH$LINK: PUBCHEM CID:10726 CH$LINK: INCHIKEY JACRWUWPXAESPB-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID90862179 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO001944.txt b/Keio_Univ/MSBNK-Keio_Univ-KO001944.txt index 34597638d53..bba468074a8 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO001944.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO001944.txt @@ -15,7 +15,7 @@ CH$IUPAC: InChI=1S/C9H10O3/c10-6-8(9(11)12)7-4-2-1-3-5-7/h1-5,8,10H,6H2,(H,11,12 CH$LINK: CAS 529-64-6 552-63-6 CH$LINK: CHEBI CHEBI:30765 CH$LINK: KEGG C01456 -CH$LINK: PUBCHEM SID:4633 +CH$LINK: PUBCHEM CID:10726 CH$LINK: INCHIKEY JACRWUWPXAESPB-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID90862179 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO001945.txt b/Keio_Univ/MSBNK-Keio_Univ-KO001945.txt index 3e78272d845..0a149c24c16 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO001945.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO001945.txt @@ -15,7 +15,7 @@ CH$IUPAC: InChI=1S/C9H10O3/c10-6-8(9(11)12)7-4-2-1-3-5-7/h1-5,8,10H,6H2,(H,11,12 CH$LINK: CAS 529-64-6 552-63-6 CH$LINK: CHEBI CHEBI:30765 CH$LINK: KEGG C01456 -CH$LINK: PUBCHEM SID:4633 +CH$LINK: PUBCHEM CID:10726 CH$LINK: INCHIKEY JACRWUWPXAESPB-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID90862179 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO001946.txt b/Keio_Univ/MSBNK-Keio_Univ-KO001946.txt index 71b90923508..3c69c395a6f 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO001946.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO001946.txt @@ -15,7 +15,7 @@ CH$IUPAC: InChI=1S/C9H10O3/c10-6-8(9(11)12)7-4-2-1-3-5-7/h1-5,8,10H,6H2,(H,11,12 CH$LINK: CAS 529-64-6 552-63-6 CH$LINK: CHEBI CHEBI:30765 CH$LINK: KEGG C01456 -CH$LINK: PUBCHEM SID:4633 +CH$LINK: PUBCHEM CID:10726 CH$LINK: INCHIKEY JACRWUWPXAESPB-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID90862179 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO001947.txt b/Keio_Univ/MSBNK-Keio_Univ-KO001947.txt index 83d8cdcb8e8..ca28164ce18 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO001947.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO001947.txt @@ -15,7 +15,7 @@ CH$IUPAC: InChI=1S/C9H10O3/c10-6-8(9(11)12)7-4-2-1-3-5-7/h1-5,8,10H,6H2,(H,11,12 CH$LINK: CAS 529-64-6 552-63-6 CH$LINK: CHEBI CHEBI:30765 CH$LINK: KEGG C01456 -CH$LINK: PUBCHEM SID:4633 +CH$LINK: PUBCHEM CID:10726 CH$LINK: INCHIKEY JACRWUWPXAESPB-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID90862179 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO001948.txt b/Keio_Univ/MSBNK-Keio_Univ-KO001948.txt index cc0c5ea0a1a..778f6d237b0 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO001948.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO001948.txt @@ -14,7 +14,7 @@ CH$IUPAC: InChI=1S/C12H23O14P/c13-1-3-5(14)7(16)9(18)11(24-3)26-12-10(19)8(17)6( CH$LINK: CAS 4484-88-2 CH$LINK: CHEBI CHEBI:18283 CH$LINK: KEGG C00689 -CH$LINK: PUBCHEM SID:3958 +CH$LINK: PUBCHEM CID:122336 CH$LINK: INCHIKEY LABSPYBHMPDTEL-LIZSDCNHSA-N AC$INSTRUMENT: API3000, Applied Biosystems AC$INSTRUMENT_TYPE: LC-ESI-QQ diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO001949.txt b/Keio_Univ/MSBNK-Keio_Univ-KO001949.txt index 31676f1b2fc..4de695070f9 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO001949.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO001949.txt @@ -14,7 +14,7 @@ CH$IUPAC: InChI=1S/C12H23O14P/c13-1-3-5(14)7(16)9(18)11(24-3)26-12-10(19)8(17)6( CH$LINK: CAS 4484-88-2 CH$LINK: CHEBI CHEBI:18283 CH$LINK: KEGG C00689 -CH$LINK: PUBCHEM SID:3958 +CH$LINK: PUBCHEM CID:122336 CH$LINK: INCHIKEY LABSPYBHMPDTEL-LIZSDCNHSA-N AC$INSTRUMENT: API3000, Applied Biosystems AC$INSTRUMENT_TYPE: LC-ESI-QQ diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO001950.txt b/Keio_Univ/MSBNK-Keio_Univ-KO001950.txt index ed6f8e94742..5245a1a67fb 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO001950.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO001950.txt @@ -14,7 +14,7 @@ CH$IUPAC: InChI=1S/C12H23O14P/c13-1-3-5(14)7(16)9(18)11(24-3)26-12-10(19)8(17)6( CH$LINK: CAS 4484-88-2 CH$LINK: CHEBI CHEBI:18283 CH$LINK: KEGG C00689 -CH$LINK: PUBCHEM SID:3958 +CH$LINK: PUBCHEM CID:122336 CH$LINK: INCHIKEY LABSPYBHMPDTEL-LIZSDCNHSA-N AC$INSTRUMENT: API3000, Applied Biosystems AC$INSTRUMENT_TYPE: LC-ESI-QQ diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO001951.txt b/Keio_Univ/MSBNK-Keio_Univ-KO001951.txt index 7911d329b3a..8573b3de3f9 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO001951.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO001951.txt @@ -14,7 +14,7 @@ CH$IUPAC: InChI=1S/C12H23O14P/c13-1-3-5(14)7(16)9(18)11(24-3)26-12-10(19)8(17)6( CH$LINK: CAS 4484-88-2 CH$LINK: CHEBI CHEBI:18283 CH$LINK: KEGG C00689 -CH$LINK: PUBCHEM SID:3958 +CH$LINK: PUBCHEM CID:122336 CH$LINK: INCHIKEY LABSPYBHMPDTEL-LIZSDCNHSA-N AC$INSTRUMENT: API3000, Applied Biosystems AC$INSTRUMENT_TYPE: LC-ESI-QQ diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO001952.txt b/Keio_Univ/MSBNK-Keio_Univ-KO001952.txt index 7aa42afedbe..6e08c463f05 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO001952.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO001952.txt @@ -14,7 +14,7 @@ CH$IUPAC: InChI=1S/C12H23O14P/c13-1-3-5(14)7(16)9(18)11(24-3)26-12-10(19)8(17)6( CH$LINK: CAS 4484-88-2 CH$LINK: CHEBI CHEBI:18283 CH$LINK: KEGG C00689 -CH$LINK: PUBCHEM SID:3958 +CH$LINK: PUBCHEM CID:122336 CH$LINK: INCHIKEY LABSPYBHMPDTEL-LIZSDCNHSA-N AC$INSTRUMENT: API3000, Applied Biosystems AC$INSTRUMENT_TYPE: LC-ESI-QQ diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO001958.txt b/Keio_Univ/MSBNK-Keio_Univ-KO001958.txt index 6b1045b6ef2..1ff84d37d2c 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO001958.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO001958.txt @@ -16,7 +16,7 @@ CH$LINK: CAS 100-21-0 CH$LINK: CHEBI CHEBI:30043 CH$LINK: KEGG C06337 CH$LINK: NIKKAJI J3.588B -CH$LINK: PUBCHEM SID:8573 +CH$LINK: PUBCHEM CID:7489 CH$LINK: INCHIKEY KKEYFWRCBNTPAC-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID6026080 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO001959.txt b/Keio_Univ/MSBNK-Keio_Univ-KO001959.txt index c654514851d..82ce406d5fb 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO001959.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO001959.txt @@ -16,7 +16,7 @@ CH$LINK: CAS 100-21-0 CH$LINK: CHEBI CHEBI:30043 CH$LINK: KEGG C06337 CH$LINK: NIKKAJI J3.588B -CH$LINK: PUBCHEM SID:8573 +CH$LINK: PUBCHEM CID:7489 CH$LINK: INCHIKEY KKEYFWRCBNTPAC-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID6026080 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO001960.txt b/Keio_Univ/MSBNK-Keio_Univ-KO001960.txt index de40eefb4fd..d78fe2c7b63 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO001960.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO001960.txt @@ -16,7 +16,7 @@ CH$LINK: CAS 100-21-0 CH$LINK: CHEBI CHEBI:30043 CH$LINK: KEGG C06337 CH$LINK: NIKKAJI J3.588B -CH$LINK: PUBCHEM SID:8573 +CH$LINK: PUBCHEM CID:7489 CH$LINK: INCHIKEY KKEYFWRCBNTPAC-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID6026080 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO001961.txt b/Keio_Univ/MSBNK-Keio_Univ-KO001961.txt index 2e0abe02a0a..ce69d1f0944 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO001961.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO001961.txt @@ -16,7 +16,7 @@ CH$LINK: CAS 100-21-0 CH$LINK: CHEBI CHEBI:30043 CH$LINK: KEGG C06337 CH$LINK: NIKKAJI J3.588B -CH$LINK: PUBCHEM SID:8573 +CH$LINK: PUBCHEM CID:7489 CH$LINK: INCHIKEY KKEYFWRCBNTPAC-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID6026080 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO001962.txt b/Keio_Univ/MSBNK-Keio_Univ-KO001962.txt index 90a88c5750c..9475939b85e 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO001962.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO001962.txt @@ -16,7 +16,7 @@ CH$LINK: CAS 100-21-0 CH$LINK: CHEBI CHEBI:30043 CH$LINK: KEGG C06337 CH$LINK: NIKKAJI J3.588B -CH$LINK: PUBCHEM SID:8573 +CH$LINK: PUBCHEM CID:7489 CH$LINK: INCHIKEY KKEYFWRCBNTPAC-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID6026080 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO001963.txt b/Keio_Univ/MSBNK-Keio_Univ-KO001963.txt index 2e697d3152e..324e99bb187 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO001963.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO001963.txt @@ -13,7 +13,7 @@ CH$IUPAC: InChI=1S/C14H16ClN3O2/c1-14(2,3)12(19)13(18-9-16-8-17-18)20-11-6-4-10( CH$LINK: CAS 43121-43-3 CH$LINK: KEGG C11156 CH$LINK: NIKKAJI J1.896A -CH$LINK: PUBCHEM SID:13338 +CH$LINK: PUBCHEM CID:39385 CH$LINK: INCHIKEY WURBVZBTWMNKQT-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID3023897 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO001964.txt b/Keio_Univ/MSBNK-Keio_Univ-KO001964.txt index ab03cb92d8a..bac8b57eca0 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO001964.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO001964.txt @@ -13,7 +13,7 @@ CH$IUPAC: InChI=1S/C14H16ClN3O2/c1-14(2,3)12(19)13(18-9-16-8-17-18)20-11-6-4-10( CH$LINK: CAS 43121-43-3 CH$LINK: KEGG C11156 CH$LINK: NIKKAJI J1.896A -CH$LINK: PUBCHEM SID:13338 +CH$LINK: PUBCHEM CID:39385 CH$LINK: INCHIKEY WURBVZBTWMNKQT-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID3023897 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO001965.txt b/Keio_Univ/MSBNK-Keio_Univ-KO001965.txt index c11cc3503f7..dcac9c0f89f 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO001965.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO001965.txt @@ -13,7 +13,7 @@ CH$IUPAC: InChI=1S/C14H16ClN3O2/c1-14(2,3)12(19)13(18-9-16-8-17-18)20-11-6-4-10( CH$LINK: CAS 43121-43-3 CH$LINK: KEGG C11156 CH$LINK: NIKKAJI J1.896A -CH$LINK: PUBCHEM SID:13338 +CH$LINK: PUBCHEM CID:39385 CH$LINK: INCHIKEY WURBVZBTWMNKQT-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID3023897 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO001966.txt b/Keio_Univ/MSBNK-Keio_Univ-KO001966.txt index 14fd1e96526..0270fbe788e 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO001966.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO001966.txt @@ -13,7 +13,7 @@ CH$IUPAC: InChI=1S/C14H16ClN3O2/c1-14(2,3)12(19)13(18-9-16-8-17-18)20-11-6-4-10( CH$LINK: CAS 43121-43-3 CH$LINK: KEGG C11156 CH$LINK: NIKKAJI J1.896A -CH$LINK: PUBCHEM SID:13338 +CH$LINK: PUBCHEM CID:39385 CH$LINK: INCHIKEY WURBVZBTWMNKQT-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID3023897 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO001967.txt b/Keio_Univ/MSBNK-Keio_Univ-KO001967.txt index 86f4870fe39..7e897235e64 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO001967.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO001967.txt @@ -13,7 +13,7 @@ CH$IUPAC: InChI=1S/C14H16ClN3O2/c1-14(2,3)12(19)13(18-9-16-8-17-18)20-11-6-4-10( CH$LINK: CAS 43121-43-3 CH$LINK: KEGG C11156 CH$LINK: NIKKAJI J1.896A -CH$LINK: PUBCHEM SID:13338 +CH$LINK: PUBCHEM CID:39385 CH$LINK: INCHIKEY WURBVZBTWMNKQT-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID3023897 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO001968.txt b/Keio_Univ/MSBNK-Keio_Univ-KO001968.txt index 64f70de0ba2..9dfe9c105f3 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO001968.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO001968.txt @@ -14,7 +14,7 @@ CH$IUPAC: InChI=1S/C8H5Cl3O3/c9-4-1-6(11)7(2-5(4)10)14-3-8(12)13/h1-2H,3H2,(H,12 CH$LINK: CAS 93-76-5 CH$LINK: KEGG C07100 CH$LINK: NIKKAJI J3.941A -CH$LINK: PUBCHEM SID:9311 +CH$LINK: PUBCHEM CID:1480 CH$LINK: INCHIKEY SMYMJHWAQXWPDB-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID5021388 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO001969.txt b/Keio_Univ/MSBNK-Keio_Univ-KO001969.txt index aa2516b5bce..3916fb5292b 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO001969.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO001969.txt @@ -14,7 +14,7 @@ CH$IUPAC: InChI=1S/C8H5Cl3O3/c9-4-1-6(11)7(2-5(4)10)14-3-8(12)13/h1-2H,3H2,(H,12 CH$LINK: CAS 93-76-5 CH$LINK: KEGG C07100 CH$LINK: NIKKAJI J3.941A -CH$LINK: PUBCHEM SID:9311 +CH$LINK: PUBCHEM CID:1480 CH$LINK: INCHIKEY SMYMJHWAQXWPDB-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID5021388 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO001970.txt b/Keio_Univ/MSBNK-Keio_Univ-KO001970.txt index 199b4969c09..69121cd9f78 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO001970.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO001970.txt @@ -14,7 +14,7 @@ CH$IUPAC: InChI=1S/C8H5Cl3O3/c9-4-1-6(11)7(2-5(4)10)14-3-8(12)13/h1-2H,3H2,(H,12 CH$LINK: CAS 93-76-5 CH$LINK: KEGG C07100 CH$LINK: NIKKAJI J3.941A -CH$LINK: PUBCHEM SID:9311 +CH$LINK: PUBCHEM CID:1480 CH$LINK: INCHIKEY SMYMJHWAQXWPDB-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID5021388 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO001971.txt b/Keio_Univ/MSBNK-Keio_Univ-KO001971.txt index 029c5da2334..6534f1d090f 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO001971.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO001971.txt @@ -14,7 +14,7 @@ CH$IUPAC: InChI=1S/C8H5Cl3O3/c9-4-1-6(11)7(2-5(4)10)14-3-8(12)13/h1-2H,3H2,(H,12 CH$LINK: CAS 93-76-5 CH$LINK: KEGG C07100 CH$LINK: NIKKAJI J3.941A -CH$LINK: PUBCHEM SID:9311 +CH$LINK: PUBCHEM CID:1480 CH$LINK: INCHIKEY SMYMJHWAQXWPDB-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID5021388 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO001972.txt b/Keio_Univ/MSBNK-Keio_Univ-KO001972.txt index 06e3bec5eb6..5dee87d1312 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO001972.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO001972.txt @@ -14,7 +14,7 @@ CH$IUPAC: InChI=1S/C8H5Cl3O3/c9-4-1-6(11)7(2-5(4)10)14-3-8(12)13/h1-2H,3H2,(H,12 CH$LINK: CAS 93-76-5 CH$LINK: KEGG C07100 CH$LINK: NIKKAJI J3.941A -CH$LINK: PUBCHEM SID:9311 +CH$LINK: PUBCHEM CID:1480 CH$LINK: INCHIKEY SMYMJHWAQXWPDB-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID5021388 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO001973.txt b/Keio_Univ/MSBNK-Keio_Univ-KO001973.txt index 37b5b1e7db1..d48f6917abb 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO001973.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO001973.txt @@ -15,7 +15,7 @@ CH$LINK: CHEBI CHEBI:17568 CH$LINK: CHEMPDB URA CH$LINK: KEGG C00106 CH$LINK: NIKKAJI J4.842I -CH$LINK: PUBCHEM SID:3406 +CH$LINK: PUBCHEM CID:1174 CH$LINK: INCHIKEY ISAKRJDGNUQOIC-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID4021424 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO001974.txt b/Keio_Univ/MSBNK-Keio_Univ-KO001974.txt index 0889b826deb..fbe88e8ba6b 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO001974.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO001974.txt @@ -15,7 +15,7 @@ CH$LINK: CHEBI CHEBI:17568 CH$LINK: CHEMPDB URA CH$LINK: KEGG C00106 CH$LINK: NIKKAJI J4.842I -CH$LINK: PUBCHEM SID:3406 +CH$LINK: PUBCHEM CID:1174 CH$LINK: INCHIKEY ISAKRJDGNUQOIC-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID4021424 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO001975.txt b/Keio_Univ/MSBNK-Keio_Univ-KO001975.txt index 2936814ddcc..f1208f3516a 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO001975.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO001975.txt @@ -15,7 +15,7 @@ CH$LINK: CHEBI CHEBI:17568 CH$LINK: CHEMPDB URA CH$LINK: KEGG C00106 CH$LINK: NIKKAJI J4.842I -CH$LINK: PUBCHEM SID:3406 +CH$LINK: PUBCHEM CID:1174 CH$LINK: INCHIKEY ISAKRJDGNUQOIC-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID4021424 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO001976.txt b/Keio_Univ/MSBNK-Keio_Univ-KO001976.txt index 48421ebea98..419ac0e7fc8 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO001976.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO001976.txt @@ -15,7 +15,7 @@ CH$LINK: CHEBI CHEBI:17568 CH$LINK: CHEMPDB URA CH$LINK: KEGG C00106 CH$LINK: NIKKAJI J4.842I -CH$LINK: PUBCHEM SID:3406 +CH$LINK: PUBCHEM CID:1174 CH$LINK: INCHIKEY ISAKRJDGNUQOIC-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID4021424 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO001977.txt b/Keio_Univ/MSBNK-Keio_Univ-KO001977.txt index 5954a45a5ae..1ed0dcef127 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO001977.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO001977.txt @@ -15,7 +15,7 @@ CH$LINK: CHEBI CHEBI:17568 CH$LINK: CHEMPDB URA CH$LINK: KEGG C00106 CH$LINK: NIKKAJI J4.842I -CH$LINK: PUBCHEM SID:3406 +CH$LINK: PUBCHEM CID:1174 CH$LINK: INCHIKEY ISAKRJDGNUQOIC-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID4021424 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO001978.txt b/Keio_Univ/MSBNK-Keio_Univ-KO001978.txt index 8f051dc5a2f..bee9e0ba9a8 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO001978.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO001978.txt @@ -16,7 +16,7 @@ CH$LINK: CHEBI CHEBI:30817 CH$LINK: CHEMPDB URO CH$LINK: KEGG C00785 CH$LINK: NIKKAJI J5.039C -CH$LINK: PUBCHEM SID:4043 +CH$LINK: PUBCHEM CID:736715 CH$LINK: INCHIKEY LOIYMIARKYCTBW-OWOJBTEDSA-N CH$LINK: COMPTOX DTXSID5041148 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO001979.txt b/Keio_Univ/MSBNK-Keio_Univ-KO001979.txt index 248454cb34c..4025fe12586 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO001979.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO001979.txt @@ -16,7 +16,7 @@ CH$LINK: CHEBI CHEBI:30817 CH$LINK: CHEMPDB URO CH$LINK: KEGG C00785 CH$LINK: NIKKAJI J5.039C -CH$LINK: PUBCHEM SID:4043 +CH$LINK: PUBCHEM CID:736715 CH$LINK: INCHIKEY LOIYMIARKYCTBW-OWOJBTEDSA-N CH$LINK: COMPTOX DTXSID5041148 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO001980.txt b/Keio_Univ/MSBNK-Keio_Univ-KO001980.txt index 44911a268a6..1a73e281e32 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO001980.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO001980.txt @@ -16,7 +16,7 @@ CH$LINK: CHEBI CHEBI:30817 CH$LINK: CHEMPDB URO CH$LINK: KEGG C00785 CH$LINK: NIKKAJI J5.039C -CH$LINK: PUBCHEM SID:4043 +CH$LINK: PUBCHEM CID:736715 CH$LINK: INCHIKEY LOIYMIARKYCTBW-OWOJBTEDSA-N CH$LINK: COMPTOX DTXSID5041148 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO001981.txt b/Keio_Univ/MSBNK-Keio_Univ-KO001981.txt index 5c09dd621e9..5b8149166c7 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO001981.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO001981.txt @@ -16,7 +16,7 @@ CH$LINK: CHEBI CHEBI:30817 CH$LINK: CHEMPDB URO CH$LINK: KEGG C00785 CH$LINK: NIKKAJI J5.039C -CH$LINK: PUBCHEM SID:4043 +CH$LINK: PUBCHEM CID:736715 CH$LINK: INCHIKEY LOIYMIARKYCTBW-OWOJBTEDSA-N CH$LINK: COMPTOX DTXSID5041148 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO001982.txt b/Keio_Univ/MSBNK-Keio_Univ-KO001982.txt index 93cfc44a219..acb869fffe5 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO001982.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO001982.txt @@ -16,7 +16,7 @@ CH$LINK: CHEBI CHEBI:30817 CH$LINK: CHEMPDB URO CH$LINK: KEGG C00785 CH$LINK: NIKKAJI J5.039C -CH$LINK: PUBCHEM SID:4043 +CH$LINK: PUBCHEM CID:736715 CH$LINK: INCHIKEY LOIYMIARKYCTBW-OWOJBTEDSA-N CH$LINK: COMPTOX DTXSID5041148 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO001988.txt b/Keio_Univ/MSBNK-Keio_Univ-KO001988.txt index 955dccd9c67..802c383c68b 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO001988.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO001988.txt @@ -17,7 +17,7 @@ CH$LINK: CHEBI CHEBI:16414 CH$LINK: CHEMPDB VAL CH$LINK: KEGG C00183 CH$LINK: NIKKAJI J9.179K -CH$LINK: PUBCHEM SID:3483 +CH$LINK: PUBCHEM CID:6287 CH$LINK: INCHIKEY KZSNJWFQEVHDMF-BYPYZUCNSA-N CH$LINK: COMPTOX DTXSID40883233 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO001989.txt b/Keio_Univ/MSBNK-Keio_Univ-KO001989.txt index 394dfc51f59..4e70a082ca2 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO001989.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO001989.txt @@ -17,7 +17,7 @@ CH$LINK: CHEBI CHEBI:16414 CH$LINK: CHEMPDB VAL CH$LINK: KEGG C00183 CH$LINK: NIKKAJI J9.179K -CH$LINK: PUBCHEM SID:3483 +CH$LINK: PUBCHEM CID:6287 CH$LINK: INCHIKEY KZSNJWFQEVHDMF-BYPYZUCNSA-N CH$LINK: COMPTOX DTXSID40883233 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO001990.txt b/Keio_Univ/MSBNK-Keio_Univ-KO001990.txt index 9c9ab5ec6fb..19c00c15d3c 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO001990.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO001990.txt @@ -17,7 +17,7 @@ CH$LINK: CHEBI CHEBI:16414 CH$LINK: CHEMPDB VAL CH$LINK: KEGG C00183 CH$LINK: NIKKAJI J9.179K -CH$LINK: PUBCHEM SID:3483 +CH$LINK: PUBCHEM CID:6287 CH$LINK: INCHIKEY KZSNJWFQEVHDMF-BYPYZUCNSA-N CH$LINK: COMPTOX DTXSID40883233 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO001991.txt b/Keio_Univ/MSBNK-Keio_Univ-KO001991.txt index ed7312117c3..23b501d81b4 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO001991.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO001991.txt @@ -21,7 +21,7 @@ CH$LINK: CHEBI CHEBI:17418 CH$LINK: CHEMPDB PEI CH$LINK: KEGG C00803 CH$LINK: NIKKAJI J1.504K -CH$LINK: PUBCHEM SID:4061 +CH$LINK: PUBCHEM CID:7991 CH$LINK: INCHIKEY NQPDZGIKBAWPEJ-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID7021655 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO001992.txt b/Keio_Univ/MSBNK-Keio_Univ-KO001992.txt index cf3bdb90d8c..b45383ef15d 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO001992.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO001992.txt @@ -21,7 +21,7 @@ CH$LINK: CHEBI CHEBI:17418 CH$LINK: CHEMPDB PEI CH$LINK: KEGG C00803 CH$LINK: NIKKAJI J1.504K -CH$LINK: PUBCHEM SID:4061 +CH$LINK: PUBCHEM CID:7991 CH$LINK: INCHIKEY NQPDZGIKBAWPEJ-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID7021655 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO001993.txt b/Keio_Univ/MSBNK-Keio_Univ-KO001993.txt index db949841202..632c7e36d33 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO001993.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO001993.txt @@ -21,7 +21,7 @@ CH$LINK: CHEBI CHEBI:17418 CH$LINK: CHEMPDB PEI CH$LINK: KEGG C00803 CH$LINK: NIKKAJI J1.504K -CH$LINK: PUBCHEM SID:4061 +CH$LINK: PUBCHEM CID:7991 CH$LINK: INCHIKEY NQPDZGIKBAWPEJ-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID7021655 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO001994.txt b/Keio_Univ/MSBNK-Keio_Univ-KO001994.txt index 4799c3fcac1..81c64fe1ac4 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO001994.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO001994.txt @@ -21,7 +21,7 @@ CH$LINK: CHEBI CHEBI:17418 CH$LINK: CHEMPDB PEI CH$LINK: KEGG C00803 CH$LINK: NIKKAJI J1.504K -CH$LINK: PUBCHEM SID:4061 +CH$LINK: PUBCHEM CID:7991 CH$LINK: INCHIKEY NQPDZGIKBAWPEJ-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID7021655 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO001995.txt b/Keio_Univ/MSBNK-Keio_Univ-KO001995.txt index 6ab65ab68f3..0cf1c53c987 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO001995.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO001995.txt @@ -21,7 +21,7 @@ CH$LINK: CHEBI CHEBI:17418 CH$LINK: CHEMPDB PEI CH$LINK: KEGG C00803 CH$LINK: NIKKAJI J1.504K -CH$LINK: PUBCHEM SID:4061 +CH$LINK: PUBCHEM CID:7991 CH$LINK: INCHIKEY NQPDZGIKBAWPEJ-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID7021655 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO001996.txt b/Keio_Univ/MSBNK-Keio_Univ-KO001996.txt index 5b72ce8f1e2..fa0f1a56295 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO001996.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO001996.txt @@ -16,7 +16,7 @@ CH$IUPAC: InChI=1S/C8H16O2/c1-3-5-7(6-4-2)8(9)10/h7H,3-6H2,1-2H3,(H,9,10) CH$LINK: CAS 99-66-1 CH$LINK: KEGG D00399 CH$LINK: NIKKAJI J4.972G -CH$LINK: PUBCHEM SID:7847465 +CH$LINK: PUBCHEM CID:3121 CH$LINK: INCHIKEY NIJJYAXOARWZEE-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID6023733 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO001997.txt b/Keio_Univ/MSBNK-Keio_Univ-KO001997.txt index f2aa5ef9ab9..74a144815ac 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO001997.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO001997.txt @@ -16,7 +16,7 @@ CH$IUPAC: InChI=1S/C8H16O2/c1-3-5-7(6-4-2)8(9)10/h7H,3-6H2,1-2H3,(H,9,10) CH$LINK: CAS 99-66-1 CH$LINK: KEGG D00399 CH$LINK: NIKKAJI J4.972G -CH$LINK: PUBCHEM SID:7847465 +CH$LINK: PUBCHEM CID:3121 CH$LINK: INCHIKEY NIJJYAXOARWZEE-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID6023733 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO001998.txt b/Keio_Univ/MSBNK-Keio_Univ-KO001998.txt index b1f984629f3..233d4919775 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO001998.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO001998.txt @@ -16,7 +16,7 @@ CH$IUPAC: InChI=1S/C8H16O2/c1-3-5-7(6-4-2)8(9)10/h7H,3-6H2,1-2H3,(H,9,10) CH$LINK: CAS 99-66-1 CH$LINK: KEGG D00399 CH$LINK: NIKKAJI J4.972G -CH$LINK: PUBCHEM SID:7847465 +CH$LINK: PUBCHEM CID:3121 CH$LINK: INCHIKEY NIJJYAXOARWZEE-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID6023733 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO001999.txt b/Keio_Univ/MSBNK-Keio_Univ-KO001999.txt index e3cd6b07c04..f9d1e4fafb8 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO001999.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO001999.txt @@ -16,7 +16,7 @@ CH$IUPAC: InChI=1S/C8H16O2/c1-3-5-7(6-4-2)8(9)10/h7H,3-6H2,1-2H3,(H,9,10) CH$LINK: CAS 99-66-1 CH$LINK: KEGG D00399 CH$LINK: NIKKAJI J4.972G -CH$LINK: PUBCHEM SID:7847465 +CH$LINK: PUBCHEM CID:3121 CH$LINK: INCHIKEY NIJJYAXOARWZEE-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID6023733 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO002000.txt b/Keio_Univ/MSBNK-Keio_Univ-KO002000.txt index 1ec614768e7..9b1a658a094 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO002000.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO002000.txt @@ -16,7 +16,7 @@ CH$IUPAC: InChI=1S/C8H16O2/c1-3-5-7(6-4-2)8(9)10/h7H,3-6H2,1-2H3,(H,9,10) CH$LINK: CAS 99-66-1 CH$LINK: KEGG D00399 CH$LINK: NIKKAJI J4.972G -CH$LINK: PUBCHEM SID:7847465 +CH$LINK: PUBCHEM CID:3121 CH$LINK: INCHIKEY NIJJYAXOARWZEE-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID6023733 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO002001.txt b/Keio_Univ/MSBNK-Keio_Univ-KO002001.txt index de538163cc5..df2bc98fab8 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO002001.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO002001.txt @@ -16,7 +16,7 @@ CH$IUPAC: InChI=1S/C8H16O2/c1-3-5-7(6-4-2)8(9)10/h7H,3-6H2,1-2H3,(H,9,10) CH$LINK: CAS 99-66-1 CH$LINK: KEGG D00399 CH$LINK: NIKKAJI J4.972G -CH$LINK: PUBCHEM SID:7847465 +CH$LINK: PUBCHEM CID:3121 CH$LINK: INCHIKEY NIJJYAXOARWZEE-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID6023733 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO002002.txt b/Keio_Univ/MSBNK-Keio_Univ-KO002002.txt index 77a1d6e8a99..61a4797fe1b 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO002002.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO002002.txt @@ -16,7 +16,7 @@ CH$IUPAC: InChI=1S/C8H16O2/c1-3-5-7(6-4-2)8(9)10/h7H,3-6H2,1-2H3,(H,9,10) CH$LINK: CAS 99-66-1 CH$LINK: KEGG D00399 CH$LINK: NIKKAJI J4.972G -CH$LINK: PUBCHEM SID:7847465 +CH$LINK: PUBCHEM CID:3121 CH$LINK: INCHIKEY NIJJYAXOARWZEE-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID6023733 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO002003.txt b/Keio_Univ/MSBNK-Keio_Univ-KO002003.txt index 9d493c7e778..39e56786730 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO002003.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO002003.txt @@ -14,7 +14,7 @@ CH$IUPAC: InChI=1S/C10H7NO4/c12-7-3-1-2-5-8(13)4-6(10(14)15)11-9(5)7/h1-4,12H,(H CH$LINK: CAS 59-00-7 CH$LINK: KEGG C02470 CH$LINK: NIKKAJI J8.600B -CH$LINK: PUBCHEM SID:5485 +CH$LINK: PUBCHEM CID:5699 CH$LINK: INCHIKEY FBZONXHGGPHHIY-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID90207728 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO002004.txt b/Keio_Univ/MSBNK-Keio_Univ-KO002004.txt index 28aedf9919d..008328a98fc 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO002004.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO002004.txt @@ -14,7 +14,7 @@ CH$IUPAC: InChI=1S/C10H7NO4/c12-7-3-1-2-5-8(13)4-6(10(14)15)11-9(5)7/h1-4,12H,(H CH$LINK: CAS 59-00-7 CH$LINK: KEGG C02470 CH$LINK: NIKKAJI J8.600B -CH$LINK: PUBCHEM SID:5485 +CH$LINK: PUBCHEM CID:5699 CH$LINK: INCHIKEY FBZONXHGGPHHIY-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID90207728 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO002005.txt b/Keio_Univ/MSBNK-Keio_Univ-KO002005.txt index 10786c5eb1e..acb9630fb35 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO002005.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO002005.txt @@ -14,7 +14,7 @@ CH$IUPAC: InChI=1S/C10H7NO4/c12-7-3-1-2-5-8(13)4-6(10(14)15)11-9(5)7/h1-4,12H,(H CH$LINK: CAS 59-00-7 CH$LINK: KEGG C02470 CH$LINK: NIKKAJI J8.600B -CH$LINK: PUBCHEM SID:5485 +CH$LINK: PUBCHEM CID:5699 CH$LINK: INCHIKEY FBZONXHGGPHHIY-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID90207728 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO002006.txt b/Keio_Univ/MSBNK-Keio_Univ-KO002006.txt index b0dc34515f6..1382b9e664c 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO002006.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO002006.txt @@ -14,7 +14,7 @@ CH$IUPAC: InChI=1S/C10H7NO4/c12-7-3-1-2-5-8(13)4-6(10(14)15)11-9(5)7/h1-4,12H,(H CH$LINK: CAS 59-00-7 CH$LINK: KEGG C02470 CH$LINK: NIKKAJI J8.600B -CH$LINK: PUBCHEM SID:5485 +CH$LINK: PUBCHEM CID:5699 CH$LINK: INCHIKEY FBZONXHGGPHHIY-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID90207728 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO002007.txt b/Keio_Univ/MSBNK-Keio_Univ-KO002007.txt index 3b4945ad729..a6a5819bbb3 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO002007.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO002007.txt @@ -14,7 +14,7 @@ CH$IUPAC: InChI=1S/C10H7NO4/c12-7-3-1-2-5-8(13)4-6(10(14)15)11-9(5)7/h1-4,12H,(H CH$LINK: CAS 59-00-7 CH$LINK: KEGG C02470 CH$LINK: NIKKAJI J8.600B -CH$LINK: PUBCHEM SID:5485 +CH$LINK: PUBCHEM CID:5699 CH$LINK: INCHIKEY FBZONXHGGPHHIY-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID90207728 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO002008.txt b/Keio_Univ/MSBNK-Keio_Univ-KO002008.txt index 600dff5372b..97ddbbfc693 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO002008.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO002008.txt @@ -12,7 +12,7 @@ CH$EXACT_MASS: 230.01915 CH$SMILES: OC(C1)C(O)C(O)C(O1)OP(O)(O)=O CH$IUPAC: InChI=1S/C5H11O8P/c6-2-1-12-5(4(8)3(2)7)13-14(9,10)11/h2-8H,1H2,(H2,9,10,11)/t2-,3+,4-,5-/m1/s1 CH$LINK: KEGG C03737 -CH$LINK: PUBCHEM SID:6500 +CH$LINK: PUBCHEM CID:440102 CH$LINK: INCHIKEY ILXHFXFPPZGENN-KKQCNMDGSA-N AC$INSTRUMENT: API3000, Applied Biosystems AC$INSTRUMENT_TYPE: LC-ESI-QQ diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO002009.txt b/Keio_Univ/MSBNK-Keio_Univ-KO002009.txt index 6acf5e15e4e..a946a257d31 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO002009.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO002009.txt @@ -12,7 +12,7 @@ CH$EXACT_MASS: 230.01915 CH$SMILES: OC(C1)C(O)C(O)C(O1)OP(O)(O)=O CH$IUPAC: InChI=1S/C5H11O8P/c6-2-1-12-5(4(8)3(2)7)13-14(9,10)11/h2-8H,1H2,(H2,9,10,11)/t2-,3+,4-,5-/m1/s1 CH$LINK: KEGG C03737 -CH$LINK: PUBCHEM SID:6500 +CH$LINK: PUBCHEM CID:440102 CH$LINK: INCHIKEY ILXHFXFPPZGENN-KKQCNMDGSA-N AC$INSTRUMENT: API3000, Applied Biosystems AC$INSTRUMENT_TYPE: LC-ESI-QQ diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO002010.txt b/Keio_Univ/MSBNK-Keio_Univ-KO002010.txt index 302ecf8ad2a..31b1276216b 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO002010.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO002010.txt @@ -12,7 +12,7 @@ CH$EXACT_MASS: 230.01915 CH$SMILES: OC(C1)C(O)C(O)C(O1)OP(O)(O)=O CH$IUPAC: InChI=1S/C5H11O8P/c6-2-1-12-5(4(8)3(2)7)13-14(9,10)11/h2-8H,1H2,(H2,9,10,11)/t2-,3+,4-,5-/m1/s1 CH$LINK: KEGG C03737 -CH$LINK: PUBCHEM SID:6500 +CH$LINK: PUBCHEM CID:440102 CH$LINK: INCHIKEY ILXHFXFPPZGENN-KKQCNMDGSA-N AC$INSTRUMENT: API3000, Applied Biosystems AC$INSTRUMENT_TYPE: LC-ESI-QQ diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO002011.txt b/Keio_Univ/MSBNK-Keio_Univ-KO002011.txt index c23f26ff12f..4d491f06819 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO002011.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO002011.txt @@ -12,7 +12,7 @@ CH$EXACT_MASS: 230.01915 CH$SMILES: OC(C1)C(O)C(O)C(O1)OP(O)(O)=O CH$IUPAC: InChI=1S/C5H11O8P/c6-2-1-12-5(4(8)3(2)7)13-14(9,10)11/h2-8H,1H2,(H2,9,10,11)/t2-,3+,4-,5-/m1/s1 CH$LINK: KEGG C03737 -CH$LINK: PUBCHEM SID:6500 +CH$LINK: PUBCHEM CID:440102 CH$LINK: INCHIKEY ILXHFXFPPZGENN-KKQCNMDGSA-N AC$INSTRUMENT: API3000, Applied Biosystems AC$INSTRUMENT_TYPE: LC-ESI-QQ diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO002012.txt b/Keio_Univ/MSBNK-Keio_Univ-KO002012.txt index 7e39db4323b..cd05fedaac8 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO002012.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO002012.txt @@ -12,7 +12,7 @@ CH$EXACT_MASS: 230.01915 CH$SMILES: OC(C1)C(O)C(O)C(O1)OP(O)(O)=O CH$IUPAC: InChI=1S/C5H11O8P/c6-2-1-12-5(4(8)3(2)7)13-14(9,10)11/h2-8H,1H2,(H2,9,10,11)/t2-,3+,4-,5-/m1/s1 CH$LINK: KEGG C03737 -CH$LINK: PUBCHEM SID:6500 +CH$LINK: PUBCHEM CID:440102 CH$LINK: INCHIKEY ILXHFXFPPZGENN-KKQCNMDGSA-N AC$INSTRUMENT: API3000, Applied Biosystems AC$INSTRUMENT_TYPE: LC-ESI-QQ diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO002013.txt b/Keio_Univ/MSBNK-Keio_Univ-KO002013.txt index ef3493734e9..3aa1d58a7cf 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO002013.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO002013.txt @@ -14,7 +14,7 @@ CH$IUPAC: InChI=1S/C9H13N3O3/c10-7-3-4-12(9(14)11-7)8-2-1-6(5-13)15-8/h3-4,6,8,1 CH$LINK: CAS 7481-89-2 CH$LINK: KEGG C07207 CH$LINK: NIKKAJI J277.119E -CH$LINK: PUBCHEM SID:9416 +CH$LINK: PUBCHEM CID:24066 CH$LINK: INCHIKEY WREGKURFCTUGRC-POYBYMJQSA-N CH$LINK: COMPTOX DTXSID0023747 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO002014.txt b/Keio_Univ/MSBNK-Keio_Univ-KO002014.txt index 2e44df1a5d8..08a7225fc63 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO002014.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO002014.txt @@ -14,7 +14,7 @@ CH$IUPAC: InChI=1S/C9H13N3O3/c10-7-3-4-12(9(14)11-7)8-2-1-6(5-13)15-8/h3-4,6,8,1 CH$LINK: CAS 7481-89-2 CH$LINK: KEGG C07207 CH$LINK: NIKKAJI J277.119E -CH$LINK: PUBCHEM SID:9416 +CH$LINK: PUBCHEM CID:24066 CH$LINK: INCHIKEY WREGKURFCTUGRC-POYBYMJQSA-N CH$LINK: COMPTOX DTXSID0023747 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO002015.txt b/Keio_Univ/MSBNK-Keio_Univ-KO002015.txt index b7c1115446a..a1d4bc79ae1 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO002015.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO002015.txt @@ -14,7 +14,7 @@ CH$IUPAC: InChI=1S/C9H13N3O3/c10-7-3-4-12(9(14)11-7)8-2-1-6(5-13)15-8/h3-4,6,8,1 CH$LINK: CAS 7481-89-2 CH$LINK: KEGG C07207 CH$LINK: NIKKAJI J277.119E -CH$LINK: PUBCHEM SID:9416 +CH$LINK: PUBCHEM CID:24066 CH$LINK: INCHIKEY WREGKURFCTUGRC-POYBYMJQSA-N CH$LINK: COMPTOX DTXSID0023747 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO002016.txt b/Keio_Univ/MSBNK-Keio_Univ-KO002016.txt index 1b43b9a89a0..2ebb5e9d59a 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO002016.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO002016.txt @@ -14,7 +14,7 @@ CH$IUPAC: InChI=1S/C9H13N3O3/c10-7-3-4-12(9(14)11-7)8-2-1-6(5-13)15-8/h3-4,6,8,1 CH$LINK: CAS 7481-89-2 CH$LINK: KEGG C07207 CH$LINK: NIKKAJI J277.119E -CH$LINK: PUBCHEM SID:9416 +CH$LINK: PUBCHEM CID:24066 CH$LINK: INCHIKEY WREGKURFCTUGRC-POYBYMJQSA-N CH$LINK: COMPTOX DTXSID0023747 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO002017.txt b/Keio_Univ/MSBNK-Keio_Univ-KO002017.txt index e6b6e824e86..956eaa28647 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO002017.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO002017.txt @@ -14,7 +14,7 @@ CH$IUPAC: InChI=1S/C9H13N3O3/c10-7-3-4-12(9(14)11-7)8-2-1-6(5-13)15-8/h3-4,6,8,1 CH$LINK: CAS 7481-89-2 CH$LINK: KEGG C07207 CH$LINK: NIKKAJI J277.119E -CH$LINK: PUBCHEM SID:9416 +CH$LINK: PUBCHEM CID:24066 CH$LINK: INCHIKEY WREGKURFCTUGRC-POYBYMJQSA-N CH$LINK: COMPTOX DTXSID0023747 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO002018.txt b/Keio_Univ/MSBNK-Keio_Univ-KO002018.txt index 6edc4cf8d67..ecb19d92284 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO002018.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO002018.txt @@ -17,7 +17,7 @@ CH$LINK: CAS 1637-39-4 CH$LINK: CHEBI CHEBI:16522 CH$LINK: KEGG C00371 CH$LINK: NIKKAJI J7.540J -CH$LINK: PUBCHEM SID:3661 +CH$LINK: PUBCHEM CID:449093 CH$LINK: INCHIKEY UZKQTCBAMSWPJD-FARCUNLSSA-N CH$LINK: COMPTOX DTXSID9040631 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO002019.txt b/Keio_Univ/MSBNK-Keio_Univ-KO002019.txt index 62acdb5d2d5..f5b4990ff39 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO002019.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO002019.txt @@ -17,7 +17,7 @@ CH$LINK: CAS 1637-39-4 CH$LINK: CHEBI CHEBI:16522 CH$LINK: KEGG C00371 CH$LINK: NIKKAJI J7.540J -CH$LINK: PUBCHEM SID:3661 +CH$LINK: PUBCHEM CID:449093 CH$LINK: INCHIKEY UZKQTCBAMSWPJD-FARCUNLSSA-N CH$LINK: COMPTOX DTXSID9040631 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO002020.txt b/Keio_Univ/MSBNK-Keio_Univ-KO002020.txt index 759c7218dc1..d73db721b15 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO002020.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO002020.txt @@ -17,7 +17,7 @@ CH$LINK: CAS 1637-39-4 CH$LINK: CHEBI CHEBI:16522 CH$LINK: KEGG C00371 CH$LINK: NIKKAJI J7.540J -CH$LINK: PUBCHEM SID:3661 +CH$LINK: PUBCHEM CID:449093 CH$LINK: INCHIKEY UZKQTCBAMSWPJD-FARCUNLSSA-N CH$LINK: COMPTOX DTXSID9040631 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO002021.txt b/Keio_Univ/MSBNK-Keio_Univ-KO002021.txt index ba369426791..2ad7f99b49a 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO002021.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO002021.txt @@ -17,7 +17,7 @@ CH$LINK: CAS 1637-39-4 CH$LINK: CHEBI CHEBI:16522 CH$LINK: KEGG C00371 CH$LINK: NIKKAJI J7.540J -CH$LINK: PUBCHEM SID:3661 +CH$LINK: PUBCHEM CID:449093 CH$LINK: INCHIKEY UZKQTCBAMSWPJD-FARCUNLSSA-N CH$LINK: COMPTOX DTXSID9040631 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO002022.txt b/Keio_Univ/MSBNK-Keio_Univ-KO002022.txt index 5e266e63b61..7ca419f724d 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO002022.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO002022.txt @@ -17,7 +17,7 @@ CH$LINK: CAS 1637-39-4 CH$LINK: CHEBI CHEBI:16522 CH$LINK: KEGG C00371 CH$LINK: NIKKAJI J7.540J -CH$LINK: PUBCHEM SID:3661 +CH$LINK: PUBCHEM CID:449093 CH$LINK: INCHIKEY UZKQTCBAMSWPJD-FARCUNLSSA-N CH$LINK: COMPTOX DTXSID9040631 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO002028.txt b/Keio_Univ/MSBNK-Keio_Univ-KO002028.txt index f9079d7a72e..4faf645c7d3 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO002028.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO002028.txt @@ -20,7 +20,7 @@ CH$LINK: CAS 56-12-2 CH$LINK: CHEBI CHEBI:30566 CH$LINK: KEGG C00334 CH$LINK: NIKKAJI J1.375G -CH$LINK: PUBCHEM SID:3628 +CH$LINK: PUBCHEM CID:119 CH$LINK: INCHIKEY BTCSSZJGUNDROE-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID6035106 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO002029.txt b/Keio_Univ/MSBNK-Keio_Univ-KO002029.txt index 29ee470b6fa..8594ef839a4 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO002029.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO002029.txt @@ -20,7 +20,7 @@ CH$LINK: CAS 56-12-2 CH$LINK: CHEBI CHEBI:30566 CH$LINK: KEGG C00334 CH$LINK: NIKKAJI J1.375G -CH$LINK: PUBCHEM SID:3628 +CH$LINK: PUBCHEM CID:119 CH$LINK: INCHIKEY BTCSSZJGUNDROE-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID6035106 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO002030.txt b/Keio_Univ/MSBNK-Keio_Univ-KO002030.txt index 23e48306344..a03589be38e 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO002030.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO002030.txt @@ -20,7 +20,7 @@ CH$LINK: CAS 56-12-2 CH$LINK: CHEBI CHEBI:30566 CH$LINK: KEGG C00334 CH$LINK: NIKKAJI J1.375G -CH$LINK: PUBCHEM SID:3628 +CH$LINK: PUBCHEM CID:119 CH$LINK: INCHIKEY BTCSSZJGUNDROE-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID6035106 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO002031.txt b/Keio_Univ/MSBNK-Keio_Univ-KO002031.txt index 2a9e2c6d2cf..11ed46d3c02 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO002031.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO002031.txt @@ -20,7 +20,7 @@ CH$LINK: CAS 56-12-2 CH$LINK: CHEBI CHEBI:30566 CH$LINK: KEGG C00334 CH$LINK: NIKKAJI J1.375G -CH$LINK: PUBCHEM SID:3628 +CH$LINK: PUBCHEM CID:119 CH$LINK: INCHIKEY BTCSSZJGUNDROE-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID6035106 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO002032.txt b/Keio_Univ/MSBNK-Keio_Univ-KO002032.txt index 4b3db38ee27..909cb2bf26f 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO002032.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO002032.txt @@ -20,7 +20,7 @@ CH$LINK: CAS 56-12-2 CH$LINK: CHEBI CHEBI:30566 CH$LINK: KEGG C00334 CH$LINK: NIKKAJI J1.375G -CH$LINK: PUBCHEM SID:3628 +CH$LINK: PUBCHEM CID:119 CH$LINK: INCHIKEY BTCSSZJGUNDROE-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID6035106 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO002043.txt b/Keio_Univ/MSBNK-Keio_Univ-KO002043.txt index 82bd83d403d..a705c919aac 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO002043.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO002043.txt @@ -19,7 +19,7 @@ CH$LINK: CHEBI CHEBI:30754 CH$LINK: CHEMPDB BE2 CH$LINK: KEGG C00108 CH$LINK: NIKKAJI J2.912B -CH$LINK: PUBCHEM SID:3408 +CH$LINK: PUBCHEM CID:227 CH$LINK: INCHIKEY RWZYAGGXGHYGMB-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID8020094 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO002044.txt b/Keio_Univ/MSBNK-Keio_Univ-KO002044.txt index b05ff5bc90d..ac88b8fba99 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO002044.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO002044.txt @@ -19,7 +19,7 @@ CH$LINK: CHEBI CHEBI:30754 CH$LINK: CHEMPDB BE2 CH$LINK: KEGG C00108 CH$LINK: NIKKAJI J2.912B -CH$LINK: PUBCHEM SID:3408 +CH$LINK: PUBCHEM CID:227 CH$LINK: INCHIKEY RWZYAGGXGHYGMB-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID8020094 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO002045.txt b/Keio_Univ/MSBNK-Keio_Univ-KO002045.txt index ea5c8bc6773..a7e7ac9382f 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO002045.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO002045.txt @@ -19,7 +19,7 @@ CH$LINK: CHEBI CHEBI:30754 CH$LINK: CHEMPDB BE2 CH$LINK: KEGG C00108 CH$LINK: NIKKAJI J2.912B -CH$LINK: PUBCHEM SID:3408 +CH$LINK: PUBCHEM CID:227 CH$LINK: INCHIKEY RWZYAGGXGHYGMB-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID8020094 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO002046.txt b/Keio_Univ/MSBNK-Keio_Univ-KO002046.txt index 251a8a30119..68ff8b44564 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO002046.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO002046.txt @@ -19,7 +19,7 @@ CH$LINK: CHEBI CHEBI:30754 CH$LINK: CHEMPDB BE2 CH$LINK: KEGG C00108 CH$LINK: NIKKAJI J2.912B -CH$LINK: PUBCHEM SID:3408 +CH$LINK: PUBCHEM CID:227 CH$LINK: INCHIKEY RWZYAGGXGHYGMB-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID8020094 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO002047.txt b/Keio_Univ/MSBNK-Keio_Univ-KO002047.txt index ae4958da8a4..ac832b9cd32 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO002047.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO002047.txt @@ -19,7 +19,7 @@ CH$LINK: CHEBI CHEBI:30754 CH$LINK: CHEMPDB BE2 CH$LINK: KEGG C00108 CH$LINK: NIKKAJI J2.912B -CH$LINK: PUBCHEM SID:3408 +CH$LINK: PUBCHEM CID:227 CH$LINK: INCHIKEY RWZYAGGXGHYGMB-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID8020094 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO002048.txt b/Keio_Univ/MSBNK-Keio_Univ-KO002048.txt index f7ae88238ca..a2a50312410 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO002048.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO002048.txt @@ -17,7 +17,7 @@ CH$LINK: CHEBI CHEBI:15570 CH$LINK: CHEMPDB DAL CH$LINK: KEGG C00133 CH$LINK: NIKKAJI J9.190A -CH$LINK: PUBCHEM SID:3433 +CH$LINK: PUBCHEM CID:71080 CH$LINK: INCHIKEY QNAYBMKLOCPYGJ-UWTATZPHSA-N CH$LINK: COMPTOX DTXSID3045649 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO002049.txt b/Keio_Univ/MSBNK-Keio_Univ-KO002049.txt index 86c3834c09d..a7e0296e111 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO002049.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO002049.txt @@ -17,7 +17,7 @@ CH$LINK: CHEBI CHEBI:15570 CH$LINK: CHEMPDB DAL CH$LINK: KEGG C00133 CH$LINK: NIKKAJI J9.190A -CH$LINK: PUBCHEM SID:3433 +CH$LINK: PUBCHEM CID:71080 CH$LINK: INCHIKEY QNAYBMKLOCPYGJ-UWTATZPHSA-N CH$LINK: COMPTOX DTXSID3045649 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO002050.txt b/Keio_Univ/MSBNK-Keio_Univ-KO002050.txt index 93875bef971..65580a70297 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO002050.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO002050.txt @@ -17,7 +17,7 @@ CH$LINK: CHEBI CHEBI:15570 CH$LINK: CHEMPDB DAL CH$LINK: KEGG C00133 CH$LINK: NIKKAJI J9.190A -CH$LINK: PUBCHEM SID:3433 +CH$LINK: PUBCHEM CID:71080 CH$LINK: INCHIKEY QNAYBMKLOCPYGJ-UWTATZPHSA-N CH$LINK: COMPTOX DTXSID3045649 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO002051.txt b/Keio_Univ/MSBNK-Keio_Univ-KO002051.txt index 0cf7e35e610..81e9a0cec6b 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO002051.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO002051.txt @@ -17,7 +17,7 @@ CH$LINK: CHEBI CHEBI:15570 CH$LINK: CHEMPDB DAL CH$LINK: KEGG C00133 CH$LINK: NIKKAJI J9.190A -CH$LINK: PUBCHEM SID:3433 +CH$LINK: PUBCHEM CID:71080 CH$LINK: INCHIKEY QNAYBMKLOCPYGJ-UWTATZPHSA-N CH$LINK: COMPTOX DTXSID3045649 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO002052.txt b/Keio_Univ/MSBNK-Keio_Univ-KO002052.txt index b9a02d2f7d0..04ff6cbb27b 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO002052.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO002052.txt @@ -17,7 +17,7 @@ CH$LINK: CHEBI CHEBI:15570 CH$LINK: CHEMPDB DAL CH$LINK: KEGG C00133 CH$LINK: NIKKAJI J9.190A -CH$LINK: PUBCHEM SID:3433 +CH$LINK: PUBCHEM CID:71080 CH$LINK: INCHIKEY QNAYBMKLOCPYGJ-UWTATZPHSA-N CH$LINK: COMPTOX DTXSID3045649 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO002053.txt b/Keio_Univ/MSBNK-Keio_Univ-KO002053.txt index 8706906a7ca..2f2f2e319e7 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO002053.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO002053.txt @@ -18,7 +18,7 @@ CH$LINK: CHEBI CHEBI:16977 CH$LINK: CHEMPDB ALA CH$LINK: KEGG C00041 CH$LINK: NIKKAJI J9.168E -CH$LINK: PUBCHEM SID:3343 +CH$LINK: PUBCHEM CID:5950 CH$LINK: INCHIKEY QNAYBMKLOCPYGJ-REOHCLBHSA-N CH$LINK: COMPTOX DTXSID20873899 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO002054.txt b/Keio_Univ/MSBNK-Keio_Univ-KO002054.txt index c876f4462ae..e7049823176 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO002054.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO002054.txt @@ -18,7 +18,7 @@ CH$LINK: CHEBI CHEBI:16977 CH$LINK: CHEMPDB ALA CH$LINK: KEGG C00041 CH$LINK: NIKKAJI J9.168E -CH$LINK: PUBCHEM SID:3343 +CH$LINK: PUBCHEM CID:5950 CH$LINK: INCHIKEY QNAYBMKLOCPYGJ-REOHCLBHSA-N CH$LINK: COMPTOX DTXSID20873899 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO002055.txt b/Keio_Univ/MSBNK-Keio_Univ-KO002055.txt index e7890e25f7c..86b086963d7 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO002055.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO002055.txt @@ -18,7 +18,7 @@ CH$LINK: CHEBI CHEBI:16977 CH$LINK: CHEMPDB ALA CH$LINK: KEGG C00041 CH$LINK: NIKKAJI J9.168E -CH$LINK: PUBCHEM SID:3343 +CH$LINK: PUBCHEM CID:5950 CH$LINK: INCHIKEY QNAYBMKLOCPYGJ-REOHCLBHSA-N CH$LINK: COMPTOX DTXSID20873899 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO002056.txt b/Keio_Univ/MSBNK-Keio_Univ-KO002056.txt index 8d185aaef4c..aa3616f8576 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO002056.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO002056.txt @@ -18,7 +18,7 @@ CH$LINK: CHEBI CHEBI:16977 CH$LINK: CHEMPDB ALA CH$LINK: KEGG C00041 CH$LINK: NIKKAJI J9.168E -CH$LINK: PUBCHEM SID:3343 +CH$LINK: PUBCHEM CID:5950 CH$LINK: INCHIKEY QNAYBMKLOCPYGJ-REOHCLBHSA-N CH$LINK: COMPTOX DTXSID20873899 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO002057.txt b/Keio_Univ/MSBNK-Keio_Univ-KO002057.txt index e509d8d62b9..34febeb6f0d 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO002057.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO002057.txt @@ -18,7 +18,7 @@ CH$LINK: CHEBI CHEBI:16977 CH$LINK: CHEMPDB ALA CH$LINK: KEGG C00041 CH$LINK: NIKKAJI J9.168E -CH$LINK: PUBCHEM SID:3343 +CH$LINK: PUBCHEM CID:5950 CH$LINK: INCHIKEY QNAYBMKLOCPYGJ-REOHCLBHSA-N CH$LINK: COMPTOX DTXSID20873899 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO002058.txt b/Keio_Univ/MSBNK-Keio_Univ-KO002058.txt index 625e5f9a318..bd48f29e685 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO002058.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO002058.txt @@ -17,7 +17,7 @@ CH$LINK: CHEBI CHEBI:17196 CH$LINK: CHEMPDB ASN CH$LINK: KEGG C00152 CH$LINK: NIKKAJI J9.178B -CH$LINK: PUBCHEM SID:3452 +CH$LINK: PUBCHEM CID:6267 CH$LINK: INCHIKEY DCXYFEDJOCDNAF-REOHCLBHSA-N CH$LINK: COMPTOX DTXSID10883220 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO002059.txt b/Keio_Univ/MSBNK-Keio_Univ-KO002059.txt index 0c07a483ec0..138217fd021 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO002059.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO002059.txt @@ -17,7 +17,7 @@ CH$LINK: CHEBI CHEBI:17196 CH$LINK: CHEMPDB ASN CH$LINK: KEGG C00152 CH$LINK: NIKKAJI J9.178B -CH$LINK: PUBCHEM SID:3452 +CH$LINK: PUBCHEM CID:6267 CH$LINK: INCHIKEY DCXYFEDJOCDNAF-REOHCLBHSA-N CH$LINK: COMPTOX DTXSID10883220 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO002060.txt b/Keio_Univ/MSBNK-Keio_Univ-KO002060.txt index 340629af82b..1c6ac5dd64b 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO002060.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO002060.txt @@ -17,7 +17,7 @@ CH$LINK: CHEBI CHEBI:17196 CH$LINK: CHEMPDB ASN CH$LINK: KEGG C00152 CH$LINK: NIKKAJI J9.178B -CH$LINK: PUBCHEM SID:3452 +CH$LINK: PUBCHEM CID:6267 CH$LINK: INCHIKEY DCXYFEDJOCDNAF-REOHCLBHSA-N CH$LINK: COMPTOX DTXSID10883220 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO002061.txt b/Keio_Univ/MSBNK-Keio_Univ-KO002061.txt index d4038a687f8..b4ac6192416 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO002061.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO002061.txt @@ -17,7 +17,7 @@ CH$LINK: CHEBI CHEBI:17196 CH$LINK: CHEMPDB ASN CH$LINK: KEGG C00152 CH$LINK: NIKKAJI J9.178B -CH$LINK: PUBCHEM SID:3452 +CH$LINK: PUBCHEM CID:6267 CH$LINK: INCHIKEY DCXYFEDJOCDNAF-REOHCLBHSA-N CH$LINK: COMPTOX DTXSID10883220 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO002062.txt b/Keio_Univ/MSBNK-Keio_Univ-KO002062.txt index eed558a2b42..e766845e289 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO002062.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO002062.txt @@ -17,7 +17,7 @@ CH$LINK: CHEBI CHEBI:17196 CH$LINK: CHEMPDB ASN CH$LINK: KEGG C00152 CH$LINK: NIKKAJI J9.178B -CH$LINK: PUBCHEM SID:3452 +CH$LINK: PUBCHEM CID:6267 CH$LINK: INCHIKEY DCXYFEDJOCDNAF-REOHCLBHSA-N CH$LINK: COMPTOX DTXSID10883220 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO002063.txt b/Keio_Univ/MSBNK-Keio_Univ-KO002063.txt index 6506ad02bcf..360d167f4c4 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO002063.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO002063.txt @@ -19,7 +19,7 @@ CH$LINK: CHEBI CHEBI:17053 CH$LINK: CHEMPDB ASP CH$LINK: KEGG C00049 CH$LINK: NIKKAJI J9.169C -CH$LINK: PUBCHEM SID:3351 +CH$LINK: PUBCHEM CID:5960 CH$LINK: INCHIKEY CKLJMWTZIZZHCS-REOHCLBHSA-N CH$LINK: COMPTOX DTXSID7022621 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO002064.txt b/Keio_Univ/MSBNK-Keio_Univ-KO002064.txt index 719b1966a02..fc58dcf22a6 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO002064.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO002064.txt @@ -18,7 +18,7 @@ CH$LINK: CHEBI CHEBI:17053 CH$LINK: CHEMPDB ASP CH$LINK: KEGG C00049 CH$LINK: NIKKAJI J9.169C -CH$LINK: PUBCHEM SID:3351 +CH$LINK: PUBCHEM CID:5960 CH$LINK: INCHIKEY CKLJMWTZIZZHCS-REOHCLBHSA-N CH$LINK: COMPTOX DTXSID7022621 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO002065.txt b/Keio_Univ/MSBNK-Keio_Univ-KO002065.txt index d5b1951656a..363740a010c 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO002065.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO002065.txt @@ -18,7 +18,7 @@ CH$LINK: CHEBI CHEBI:17053 CH$LINK: CHEMPDB ASP CH$LINK: KEGG C00049 CH$LINK: NIKKAJI J9.169C -CH$LINK: PUBCHEM SID:3351 +CH$LINK: PUBCHEM CID:5960 CH$LINK: INCHIKEY CKLJMWTZIZZHCS-REOHCLBHSA-N CH$LINK: COMPTOX DTXSID7022621 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO002066.txt b/Keio_Univ/MSBNK-Keio_Univ-KO002066.txt index ef4ce189e0e..dfa598c7703 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO002066.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO002066.txt @@ -19,7 +19,7 @@ CH$LINK: CHEBI CHEBI:17053 CH$LINK: CHEMPDB ASP CH$LINK: KEGG C00049 CH$LINK: NIKKAJI J9.169C -CH$LINK: PUBCHEM SID:3351 +CH$LINK: PUBCHEM CID:5960 CH$LINK: INCHIKEY CKLJMWTZIZZHCS-REOHCLBHSA-N CH$LINK: COMPTOX DTXSID7022621 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO002067.txt b/Keio_Univ/MSBNK-Keio_Univ-KO002067.txt index 8eb004a5edf..b56aa60bb0c 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO002067.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO002067.txt @@ -18,7 +18,7 @@ CH$LINK: CHEBI CHEBI:17053 CH$LINK: CHEMPDB ASP CH$LINK: KEGG C00049 CH$LINK: NIKKAJI J9.169C -CH$LINK: PUBCHEM SID:3351 +CH$LINK: PUBCHEM CID:5960 CH$LINK: INCHIKEY CKLJMWTZIZZHCS-REOHCLBHSA-N CH$LINK: COMPTOX DTXSID7022621 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO002068.txt b/Keio_Univ/MSBNK-Keio_Univ-KO002068.txt index 3758c26a571..9d747421625 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO002068.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO002068.txt @@ -17,7 +17,7 @@ CH$LINK: CAS 131-48-6 CH$LINK: CHEBI CHEBI:17012 CH$LINK: KEGG C00270 CH$LINK: NIKKAJI J10.009I -CH$LINK: PUBCHEM SID:3568 +CH$LINK: PUBCHEM CID:439197 CH$LINK: INCHIKEY SQVRNKJHWKZAKO-LUWBGTNYSA-N AC$INSTRUMENT: API3000, Applied Biosystems AC$INSTRUMENT_TYPE: LC-ESI-QQ diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO002069.txt b/Keio_Univ/MSBNK-Keio_Univ-KO002069.txt index 7a376198c0e..1729e5fb63d 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO002069.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO002069.txt @@ -17,7 +17,7 @@ CH$LINK: CAS 131-48-6 CH$LINK: CHEBI CHEBI:17012 CH$LINK: KEGG C00270 CH$LINK: NIKKAJI J10.009I -CH$LINK: PUBCHEM SID:3568 +CH$LINK: PUBCHEM CID:439197 CH$LINK: INCHIKEY SQVRNKJHWKZAKO-LUWBGTNYSA-N AC$INSTRUMENT: API3000, Applied Biosystems AC$INSTRUMENT_TYPE: LC-ESI-QQ diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO002070.txt b/Keio_Univ/MSBNK-Keio_Univ-KO002070.txt index e40942621d0..35c108c9c7c 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO002070.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO002070.txt @@ -17,7 +17,7 @@ CH$LINK: CAS 131-48-6 CH$LINK: CHEBI CHEBI:17012 CH$LINK: KEGG C00270 CH$LINK: NIKKAJI J10.009I -CH$LINK: PUBCHEM SID:3568 +CH$LINK: PUBCHEM CID:439197 CH$LINK: INCHIKEY SQVRNKJHWKZAKO-LUWBGTNYSA-N AC$INSTRUMENT: API3000, Applied Biosystems AC$INSTRUMENT_TYPE: LC-ESI-QQ diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO002071.txt b/Keio_Univ/MSBNK-Keio_Univ-KO002071.txt index e921e4de5a9..ca93909e8e9 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO002071.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO002071.txt @@ -17,7 +17,7 @@ CH$LINK: CAS 131-48-6 CH$LINK: CHEBI CHEBI:17012 CH$LINK: KEGG C00270 CH$LINK: NIKKAJI J10.009I -CH$LINK: PUBCHEM SID:3568 +CH$LINK: PUBCHEM CID:439197 CH$LINK: INCHIKEY SQVRNKJHWKZAKO-LUWBGTNYSA-N AC$INSTRUMENT: API3000, Applied Biosystems AC$INSTRUMENT_TYPE: LC-ESI-QQ diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO002072.txt b/Keio_Univ/MSBNK-Keio_Univ-KO002072.txt index 8cc27a73c44..8baf4983924 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO002072.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO002072.txt @@ -17,7 +17,7 @@ CH$LINK: CAS 131-48-6 CH$LINK: CHEBI CHEBI:17012 CH$LINK: KEGG C00270 CH$LINK: NIKKAJI J10.009I -CH$LINK: PUBCHEM SID:3568 +CH$LINK: PUBCHEM CID:439197 CH$LINK: INCHIKEY SQVRNKJHWKZAKO-LUWBGTNYSA-N AC$INSTRUMENT: API3000, Applied Biosystems AC$INSTRUMENT_TYPE: LC-ESI-QQ diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO002078.txt b/Keio_Univ/MSBNK-Keio_Univ-KO002078.txt index 9df68764202..ffdeeb14796 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO002078.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO002078.txt @@ -18,7 +18,7 @@ CH$LINK: CHEBI CHEBI:16958 CH$LINK: CHEMPDB BAL CH$LINK: KEGG C00099 CH$LINK: NIKKAJI J4.070C -CH$LINK: PUBCHEM SID:3399 +CH$LINK: PUBCHEM CID:239 CH$LINK: INCHIKEY UCMIRNVEIXFBKS-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID0030823 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO002079.txt b/Keio_Univ/MSBNK-Keio_Univ-KO002079.txt index 59981ba49c3..2d68ddcc011 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO002079.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO002079.txt @@ -18,7 +18,7 @@ CH$LINK: CHEBI CHEBI:16958 CH$LINK: CHEMPDB BAL CH$LINK: KEGG C00099 CH$LINK: NIKKAJI J4.070C -CH$LINK: PUBCHEM SID:3399 +CH$LINK: PUBCHEM CID:239 CH$LINK: INCHIKEY UCMIRNVEIXFBKS-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID0030823 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO002080.txt b/Keio_Univ/MSBNK-Keio_Univ-KO002080.txt index 6107c6d0d40..b4db4fc30f1 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO002080.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO002080.txt @@ -18,7 +18,7 @@ CH$LINK: CHEBI CHEBI:16958 CH$LINK: CHEMPDB BAL CH$LINK: KEGG C00099 CH$LINK: NIKKAJI J4.070C -CH$LINK: PUBCHEM SID:3399 +CH$LINK: PUBCHEM CID:239 CH$LINK: INCHIKEY UCMIRNVEIXFBKS-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID0030823 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO002081.txt b/Keio_Univ/MSBNK-Keio_Univ-KO002081.txt index f9bfaf7c09a..66c247eddc4 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO002081.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO002081.txt @@ -18,7 +18,7 @@ CH$LINK: CHEBI CHEBI:16958 CH$LINK: CHEMPDB BAL CH$LINK: KEGG C00099 CH$LINK: NIKKAJI J4.070C -CH$LINK: PUBCHEM SID:3399 +CH$LINK: PUBCHEM CID:239 CH$LINK: INCHIKEY UCMIRNVEIXFBKS-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID0030823 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO002082.txt b/Keio_Univ/MSBNK-Keio_Univ-KO002082.txt index 68b98a90a77..0b2896d0efd 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO002082.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO002082.txt @@ -18,7 +18,7 @@ CH$LINK: CHEBI CHEBI:16958 CH$LINK: CHEMPDB BAL CH$LINK: KEGG C00099 CH$LINK: NIKKAJI J4.070C -CH$LINK: PUBCHEM SID:3399 +CH$LINK: PUBCHEM CID:239 CH$LINK: INCHIKEY UCMIRNVEIXFBKS-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID0030823 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO002083.txt b/Keio_Univ/MSBNK-Keio_Univ-KO002083.txt index ebaa58e7d63..74308570cc9 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO002083.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO002083.txt @@ -17,7 +17,7 @@ CH$LINK: CHEBI CHEBI:17533 CH$LINK: CHEMPDB NLG CH$LINK: KEGG C00624 CH$LINK: NIKKAJI J37.497K -CH$LINK: PUBCHEM SID:3897 +CH$LINK: PUBCHEM CID:70914 CH$LINK: INCHIKEY RFMMMVDNIPUKGG-YFKPBYRVSA-N CH$LINK: COMPTOX DTXSID3046534 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO002084.txt b/Keio_Univ/MSBNK-Keio_Univ-KO002084.txt index f8edf645ba2..c445c556bf6 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO002084.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO002084.txt @@ -17,7 +17,7 @@ CH$LINK: CHEBI CHEBI:17533 CH$LINK: CHEMPDB NLG CH$LINK: KEGG C00624 CH$LINK: NIKKAJI J37.497K -CH$LINK: PUBCHEM SID:3897 +CH$LINK: PUBCHEM CID:70914 CH$LINK: INCHIKEY RFMMMVDNIPUKGG-YFKPBYRVSA-N CH$LINK: COMPTOX DTXSID3046534 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO002085.txt b/Keio_Univ/MSBNK-Keio_Univ-KO002085.txt index c062dbac529..4067584a03a 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO002085.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO002085.txt @@ -17,7 +17,7 @@ CH$LINK: CHEBI CHEBI:17533 CH$LINK: CHEMPDB NLG CH$LINK: KEGG C00624 CH$LINK: NIKKAJI J37.497K -CH$LINK: PUBCHEM SID:3897 +CH$LINK: PUBCHEM CID:70914 CH$LINK: INCHIKEY RFMMMVDNIPUKGG-YFKPBYRVSA-N CH$LINK: COMPTOX DTXSID3046534 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO002086.txt b/Keio_Univ/MSBNK-Keio_Univ-KO002086.txt index 08c2058f575..92b47abbe03 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO002086.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO002086.txt @@ -17,7 +17,7 @@ CH$LINK: CHEBI CHEBI:17533 CH$LINK: CHEMPDB NLG CH$LINK: KEGG C00624 CH$LINK: NIKKAJI J37.497K -CH$LINK: PUBCHEM SID:3897 +CH$LINK: PUBCHEM CID:70914 CH$LINK: INCHIKEY RFMMMVDNIPUKGG-YFKPBYRVSA-N CH$LINK: COMPTOX DTXSID3046534 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO002087.txt b/Keio_Univ/MSBNK-Keio_Univ-KO002087.txt index e13a3da223e..cbb35a557df 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO002087.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO002087.txt @@ -17,7 +17,7 @@ CH$LINK: CHEBI CHEBI:17533 CH$LINK: CHEMPDB NLG CH$LINK: KEGG C00624 CH$LINK: NIKKAJI J37.497K -CH$LINK: PUBCHEM SID:3897 +CH$LINK: PUBCHEM CID:70914 CH$LINK: INCHIKEY RFMMMVDNIPUKGG-YFKPBYRVSA-N CH$LINK: COMPTOX DTXSID3046534 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO002088.txt b/Keio_Univ/MSBNK-Keio_Univ-KO002088.txt index ebccb7e6568..c5d69f49b6a 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO002088.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO002088.txt @@ -14,7 +14,7 @@ CH$SMILES: NCCCC(NC(C)=O)C(O)=O CH$IUPAC: InChI=1S/C7H14N2O3/c1-5(10)9-6(7(11)12)3-2-4-8/h6H,2-4,8H2,1H3,(H,9,10)(H,11,12)/t6-/m0/s1 CH$LINK: CHEBI CHEBI:16543 CH$LINK: KEGG C00437 -CH$LINK: PUBCHEM SID:3726 +CH$LINK: PUBCHEM CID:439232 CH$LINK: INCHIKEY JRLGPAXAGHMNOL-LURJTMIESA-N CH$LINK: COMPTOX DTXSID80331400 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO002089.txt b/Keio_Univ/MSBNK-Keio_Univ-KO002089.txt index da768e5dbc4..6b451ab3d3b 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO002089.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO002089.txt @@ -14,7 +14,7 @@ CH$SMILES: NCCCC(NC(C)=O)C(O)=O CH$IUPAC: InChI=1S/C7H14N2O3/c1-5(10)9-6(7(11)12)3-2-4-8/h6H,2-4,8H2,1H3,(H,9,10)(H,11,12)/t6-/m0/s1 CH$LINK: CHEBI CHEBI:16543 CH$LINK: KEGG C00437 -CH$LINK: PUBCHEM SID:3726 +CH$LINK: PUBCHEM CID:439232 CH$LINK: INCHIKEY JRLGPAXAGHMNOL-LURJTMIESA-N CH$LINK: COMPTOX DTXSID80331400 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO002090.txt b/Keio_Univ/MSBNK-Keio_Univ-KO002090.txt index 7506073b328..a4d2f12ae36 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO002090.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO002090.txt @@ -14,7 +14,7 @@ CH$SMILES: NCCCC(NC(C)=O)C(O)=O CH$IUPAC: InChI=1S/C7H14N2O3/c1-5(10)9-6(7(11)12)3-2-4-8/h6H,2-4,8H2,1H3,(H,9,10)(H,11,12)/t6-/m0/s1 CH$LINK: CHEBI CHEBI:16543 CH$LINK: KEGG C00437 -CH$LINK: PUBCHEM SID:3726 +CH$LINK: PUBCHEM CID:439232 CH$LINK: INCHIKEY JRLGPAXAGHMNOL-LURJTMIESA-N CH$LINK: COMPTOX DTXSID80331400 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO002091.txt b/Keio_Univ/MSBNK-Keio_Univ-KO002091.txt index a031b96de06..3835b17323a 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO002091.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO002091.txt @@ -14,7 +14,7 @@ CH$SMILES: NCCCC(NC(C)=O)C(O)=O CH$IUPAC: InChI=1S/C7H14N2O3/c1-5(10)9-6(7(11)12)3-2-4-8/h6H,2-4,8H2,1H3,(H,9,10)(H,11,12)/t6-/m0/s1 CH$LINK: CHEBI CHEBI:16543 CH$LINK: KEGG C00437 -CH$LINK: PUBCHEM SID:3726 +CH$LINK: PUBCHEM CID:439232 CH$LINK: INCHIKEY JRLGPAXAGHMNOL-LURJTMIESA-N CH$LINK: COMPTOX DTXSID80331400 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO002092.txt b/Keio_Univ/MSBNK-Keio_Univ-KO002092.txt index 872da1f6079..ec7cffa75a9 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO002092.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO002092.txt @@ -14,7 +14,7 @@ CH$SMILES: NCCCC(NC(C)=O)C(O)=O CH$IUPAC: InChI=1S/C7H14N2O3/c1-5(10)9-6(7(11)12)3-2-4-8/h6H,2-4,8H2,1H3,(H,9,10)(H,11,12)/t6-/m0/s1 CH$LINK: CHEBI CHEBI:16543 CH$LINK: KEGG C00437 -CH$LINK: PUBCHEM SID:3726 +CH$LINK: PUBCHEM CID:439232 CH$LINK: INCHIKEY JRLGPAXAGHMNOL-LURJTMIESA-N CH$LINK: COMPTOX DTXSID80331400 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO002098.txt b/Keio_Univ/MSBNK-Keio_Univ-KO002098.txt index 9d3e092fc74..0c5291e990e 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO002098.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO002098.txt @@ -15,7 +15,7 @@ CH$IUPAC: InChI=1S/C8H8N2/c9-7-1-2-8-6(5-7)3-4-10-8/h1-5,10H,9H2 CH$LINK: CAS 5192-03-0 CH$LINK: CHEBI CHEBI:33067 CH$LINK: NIKKAJI J80.971C -CH$LINK: PUBCHEM SID:8147228 +CH$LINK: PUBCHEM CID:78867 CH$LINK: INCHIKEY ZCBIFHNDZBSCEP-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID5063734 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO002099.txt b/Keio_Univ/MSBNK-Keio_Univ-KO002099.txt index 6bf75c1e79b..ebfe43eae9f 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO002099.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO002099.txt @@ -15,7 +15,7 @@ CH$IUPAC: InChI=1S/C8H8N2/c9-7-1-2-8-6(5-7)3-4-10-8/h1-5,10H,9H2 CH$LINK: CAS 5192-03-0 CH$LINK: CHEBI CHEBI:33067 CH$LINK: NIKKAJI J80.971C -CH$LINK: PUBCHEM SID:8147228 +CH$LINK: PUBCHEM CID:78867 CH$LINK: INCHIKEY ZCBIFHNDZBSCEP-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID5063734 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO002100.txt b/Keio_Univ/MSBNK-Keio_Univ-KO002100.txt index 9dc1d2b94ce..a55bf9eada4 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO002100.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO002100.txt @@ -15,7 +15,7 @@ CH$IUPAC: InChI=1S/C8H8N2/c9-7-1-2-8-6(5-7)3-4-10-8/h1-5,10H,9H2 CH$LINK: CAS 5192-03-0 CH$LINK: CHEBI CHEBI:33067 CH$LINK: NIKKAJI J80.971C -CH$LINK: PUBCHEM SID:8147228 +CH$LINK: PUBCHEM CID:78867 CH$LINK: INCHIKEY ZCBIFHNDZBSCEP-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID5063734 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO002101.txt b/Keio_Univ/MSBNK-Keio_Univ-KO002101.txt index 21155926747..e323c1752da 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO002101.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO002101.txt @@ -15,7 +15,7 @@ CH$IUPAC: InChI=1S/C8H8N2/c9-7-1-2-8-6(5-7)3-4-10-8/h1-5,10H,9H2 CH$LINK: CAS 5192-03-0 CH$LINK: CHEBI CHEBI:33067 CH$LINK: NIKKAJI J80.971C -CH$LINK: PUBCHEM SID:8147228 +CH$LINK: PUBCHEM CID:78867 CH$LINK: INCHIKEY ZCBIFHNDZBSCEP-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID5063734 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO002102.txt b/Keio_Univ/MSBNK-Keio_Univ-KO002102.txt index 4d1170d8080..2d348ab4128 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO002102.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO002102.txt @@ -15,7 +15,7 @@ CH$IUPAC: InChI=1S/C8H8N2/c9-7-1-2-8-6(5-7)3-4-10-8/h1-5,10H,9H2 CH$LINK: CAS 5192-03-0 CH$LINK: CHEBI CHEBI:33067 CH$LINK: NIKKAJI J80.971C -CH$LINK: PUBCHEM SID:8147228 +CH$LINK: PUBCHEM CID:78867 CH$LINK: INCHIKEY ZCBIFHNDZBSCEP-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID5063734 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO002103.txt b/Keio_Univ/MSBNK-Keio_Univ-KO002103.txt index a3fb4e08095..851c4bf90bf 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO002103.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO002103.txt @@ -16,7 +16,7 @@ CH$LINK: CAS 19046-78-7 CH$LINK: CHEBI CHEBI:15919 CH$LINK: KEGG C03794 CH$LINK: NIKKAJI J37.503I -CH$LINK: PUBCHEM SID:6543 +CH$LINK: PUBCHEM CID:447145 CH$LINK: INCHIKEY OFBHPPMPBOJXRT-VWJPMABRSA-N AC$INSTRUMENT: API3000, Applied Biosystems AC$INSTRUMENT_TYPE: LC-ESI-QQ diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO002104.txt b/Keio_Univ/MSBNK-Keio_Univ-KO002104.txt index b721f883f1e..e52a736f780 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO002104.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO002104.txt @@ -16,7 +16,7 @@ CH$LINK: CAS 19046-78-7 CH$LINK: CHEBI CHEBI:15919 CH$LINK: KEGG C03794 CH$LINK: NIKKAJI J37.503I -CH$LINK: PUBCHEM SID:6543 +CH$LINK: PUBCHEM CID:447145 CH$LINK: INCHIKEY OFBHPPMPBOJXRT-VWJPMABRSA-N AC$INSTRUMENT: API3000, Applied Biosystems AC$INSTRUMENT_TYPE: LC-ESI-QQ diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO002105.txt b/Keio_Univ/MSBNK-Keio_Univ-KO002105.txt index 8c0dd8e2292..cdf3574b6b5 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO002105.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO002105.txt @@ -16,7 +16,7 @@ CH$LINK: CAS 19046-78-7 CH$LINK: CHEBI CHEBI:15919 CH$LINK: KEGG C03794 CH$LINK: NIKKAJI J37.503I -CH$LINK: PUBCHEM SID:6543 +CH$LINK: PUBCHEM CID:447145 CH$LINK: INCHIKEY OFBHPPMPBOJXRT-VWJPMABRSA-N AC$INSTRUMENT: API3000, Applied Biosystems AC$INSTRUMENT_TYPE: LC-ESI-QQ diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO002106.txt b/Keio_Univ/MSBNK-Keio_Univ-KO002106.txt index 530cf692cfa..17de08c8437 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO002106.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO002106.txt @@ -16,7 +16,7 @@ CH$LINK: CAS 19046-78-7 CH$LINK: CHEBI CHEBI:15919 CH$LINK: KEGG C03794 CH$LINK: NIKKAJI J37.503I -CH$LINK: PUBCHEM SID:6543 +CH$LINK: PUBCHEM CID:447145 CH$LINK: INCHIKEY OFBHPPMPBOJXRT-VWJPMABRSA-N AC$INSTRUMENT: API3000, Applied Biosystems AC$INSTRUMENT_TYPE: LC-ESI-QQ diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO002107.txt b/Keio_Univ/MSBNK-Keio_Univ-KO002107.txt index c4e736fb695..f8e89fd5991 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO002107.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO002107.txt @@ -16,7 +16,7 @@ CH$LINK: CAS 19046-78-7 CH$LINK: CHEBI CHEBI:15919 CH$LINK: KEGG C03794 CH$LINK: NIKKAJI J37.503I -CH$LINK: PUBCHEM SID:6543 +CH$LINK: PUBCHEM CID:447145 CH$LINK: INCHIKEY OFBHPPMPBOJXRT-VWJPMABRSA-N AC$INSTRUMENT: API3000, Applied Biosystems AC$INSTRUMENT_TYPE: LC-ESI-QQ diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO002108.txt b/Keio_Univ/MSBNK-Keio_Univ-KO002108.txt index 5646201e5f5..1c75d4e5871 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO002108.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO002108.txt @@ -18,7 +18,7 @@ CH$SMILES: OC(=O)CC(C(O)=O)NC(=N)NCCCC(N)C(O)=O CH$IUPAC: InChI=1S/C10H18N4O6/c11-5(8(17)18)2-1-3-13-10(12)14-6(9(19)20)4-7(15)16/h5-6H,1-4,11H2,(H,15,16)(H,17,18)(H,19,20)(H3,12,13,14)/t5-,6-/m0/s1 CH$LINK: CHEBI CHEBI:15682 CH$LINK: KEGG C03406 -CH$LINK: PUBCHEM SID:6235 +CH$LINK: PUBCHEM CID:16950 CH$LINK: INCHIKEY KDZOASGQNOPSCU-WDSKDSINSA-N CH$LINK: COMPTOX DTXSID80178574 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO002109.txt b/Keio_Univ/MSBNK-Keio_Univ-KO002109.txt index 4ab76421dbb..dd6998668db 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO002109.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO002109.txt @@ -18,7 +18,7 @@ CH$SMILES: OC(=O)CC(C(O)=O)NC(=N)NCCCC(N)C(O)=O CH$IUPAC: InChI=1S/C10H18N4O6/c11-5(8(17)18)2-1-3-13-10(12)14-6(9(19)20)4-7(15)16/h5-6H,1-4,11H2,(H,15,16)(H,17,18)(H,19,20)(H3,12,13,14)/t5-,6-/m0/s1 CH$LINK: CHEBI CHEBI:15682 CH$LINK: KEGG C03406 -CH$LINK: PUBCHEM SID:6235 +CH$LINK: PUBCHEM CID:16950 CH$LINK: INCHIKEY KDZOASGQNOPSCU-WDSKDSINSA-N CH$LINK: COMPTOX DTXSID80178574 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO002110.txt b/Keio_Univ/MSBNK-Keio_Univ-KO002110.txt index e1b35b4c965..c0adccba1f5 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO002110.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO002110.txt @@ -18,7 +18,7 @@ CH$SMILES: OC(=O)CC(C(O)=O)NC(=N)NCCCC(N)C(O)=O CH$IUPAC: InChI=1S/C10H18N4O6/c11-5(8(17)18)2-1-3-13-10(12)14-6(9(19)20)4-7(15)16/h5-6H,1-4,11H2,(H,15,16)(H,17,18)(H,19,20)(H3,12,13,14)/t5-,6-/m0/s1 CH$LINK: CHEBI CHEBI:15682 CH$LINK: KEGG C03406 -CH$LINK: PUBCHEM SID:6235 +CH$LINK: PUBCHEM CID:16950 CH$LINK: INCHIKEY KDZOASGQNOPSCU-WDSKDSINSA-N CH$LINK: COMPTOX DTXSID80178574 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO002111.txt b/Keio_Univ/MSBNK-Keio_Univ-KO002111.txt index 62a5fd4083a..94447f05b4e 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO002111.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO002111.txt @@ -18,7 +18,7 @@ CH$SMILES: OC(=O)CC(C(O)=O)NC(=N)NCCCC(N)C(O)=O CH$IUPAC: InChI=1S/C10H18N4O6/c11-5(8(17)18)2-1-3-13-10(12)14-6(9(19)20)4-7(15)16/h5-6H,1-4,11H2,(H,15,16)(H,17,18)(H,19,20)(H3,12,13,14)/t5-,6-/m0/s1 CH$LINK: CHEBI CHEBI:15682 CH$LINK: KEGG C03406 -CH$LINK: PUBCHEM SID:6235 +CH$LINK: PUBCHEM CID:16950 CH$LINK: INCHIKEY KDZOASGQNOPSCU-WDSKDSINSA-N CH$LINK: COMPTOX DTXSID80178574 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO002112.txt b/Keio_Univ/MSBNK-Keio_Univ-KO002112.txt index b06d7dd724e..73556548122 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO002112.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO002112.txt @@ -18,7 +18,7 @@ CH$SMILES: OC(=O)CC(C(O)=O)NC(=N)NCCCC(N)C(O)=O CH$IUPAC: InChI=1S/C10H18N4O6/c11-5(8(17)18)2-1-3-13-10(12)14-6(9(19)20)4-7(15)16/h5-6H,1-4,11H2,(H,15,16)(H,17,18)(H,19,20)(H3,12,13,14)/t5-,6-/m0/s1 CH$LINK: CHEBI CHEBI:15682 CH$LINK: KEGG C03406 -CH$LINK: PUBCHEM SID:6235 +CH$LINK: PUBCHEM CID:16950 CH$LINK: INCHIKEY KDZOASGQNOPSCU-WDSKDSINSA-N CH$LINK: COMPTOX DTXSID80178574 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO002113.txt b/Keio_Univ/MSBNK-Keio_Univ-KO002113.txt index 071d4e68298..47706b08a13 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO002113.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO002113.txt @@ -13,7 +13,7 @@ CH$IUPAC: InChI=1S/C7H7N3/c8-7-9-5-3-1-2-4-6(5)10-7/h1-4H,(H3,8,9,10) CH$LINK: CAS 934-32-7 CH$LINK: KEGG C10901 CH$LINK: NIKKAJI J3.655B -CH$LINK: PUBCHEM SID:13084 +CH$LINK: PUBCHEM CID:13624 CH$LINK: INCHIKEY JWYUFVNJZUSCSM-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID1024465 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO002114.txt b/Keio_Univ/MSBNK-Keio_Univ-KO002114.txt index 8ab2a6f8c70..373189d6880 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO002114.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO002114.txt @@ -13,7 +13,7 @@ CH$IUPAC: InChI=1S/C7H7N3/c8-7-9-5-3-1-2-4-6(5)10-7/h1-4H,(H3,8,9,10) CH$LINK: CAS 934-32-7 CH$LINK: KEGG C10901 CH$LINK: NIKKAJI J3.655B -CH$LINK: PUBCHEM SID:13084 +CH$LINK: PUBCHEM CID:13624 CH$LINK: INCHIKEY JWYUFVNJZUSCSM-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID1024465 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO002115.txt b/Keio_Univ/MSBNK-Keio_Univ-KO002115.txt index 39a9c57c723..ccd4c832ce7 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO002115.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO002115.txt @@ -13,7 +13,7 @@ CH$IUPAC: InChI=1S/C7H7N3/c8-7-9-5-3-1-2-4-6(5)10-7/h1-4H,(H3,8,9,10) CH$LINK: CAS 934-32-7 CH$LINK: KEGG C10901 CH$LINK: NIKKAJI J3.655B -CH$LINK: PUBCHEM SID:13084 +CH$LINK: PUBCHEM CID:13624 CH$LINK: INCHIKEY JWYUFVNJZUSCSM-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID1024465 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO002116.txt b/Keio_Univ/MSBNK-Keio_Univ-KO002116.txt index 65409a21850..5952d9a20e1 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO002116.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO002116.txt @@ -13,7 +13,7 @@ CH$IUPAC: InChI=1S/C7H7N3/c8-7-9-5-3-1-2-4-6(5)10-7/h1-4H,(H3,8,9,10) CH$LINK: CAS 934-32-7 CH$LINK: KEGG C10901 CH$LINK: NIKKAJI J3.655B -CH$LINK: PUBCHEM SID:13084 +CH$LINK: PUBCHEM CID:13624 CH$LINK: INCHIKEY JWYUFVNJZUSCSM-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID1024465 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO002117.txt b/Keio_Univ/MSBNK-Keio_Univ-KO002117.txt index 98d143fa954..0625abfac03 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO002117.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO002117.txt @@ -13,7 +13,7 @@ CH$IUPAC: InChI=1S/C7H7N3/c8-7-9-5-3-1-2-4-6(5)10-7/h1-4H,(H3,8,9,10) CH$LINK: CAS 934-32-7 CH$LINK: KEGG C10901 CH$LINK: NIKKAJI J3.655B -CH$LINK: PUBCHEM SID:13084 +CH$LINK: PUBCHEM CID:13624 CH$LINK: INCHIKEY JWYUFVNJZUSCSM-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID1024465 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO002118.txt b/Keio_Univ/MSBNK-Keio_Univ-KO002118.txt index d35d725fc5f..6566911cfdd 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO002118.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO002118.txt @@ -18,7 +18,7 @@ CH$LINK: CHEBI CHEBI:30753 CH$LINK: CHEMPDB PAB CH$LINK: KEGG C00568 CH$LINK: NIKKAJI J5.852A -CH$LINK: PUBCHEM SID:3847 +CH$LINK: PUBCHEM CID:978 CH$LINK: INCHIKEY ALYNCZNDIQEVRV-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID6024466 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO002119.txt b/Keio_Univ/MSBNK-Keio_Univ-KO002119.txt index c092222c25b..75b0b6b7d18 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO002119.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO002119.txt @@ -18,7 +18,7 @@ CH$LINK: CHEBI CHEBI:30753 CH$LINK: CHEMPDB PAB CH$LINK: KEGG C00568 CH$LINK: NIKKAJI J5.852A -CH$LINK: PUBCHEM SID:3847 +CH$LINK: PUBCHEM CID:978 CH$LINK: INCHIKEY ALYNCZNDIQEVRV-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID6024466 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO002120.txt b/Keio_Univ/MSBNK-Keio_Univ-KO002120.txt index 390de102670..5ca0bdcf821 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO002120.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO002120.txt @@ -18,7 +18,7 @@ CH$LINK: CHEBI CHEBI:30753 CH$LINK: CHEMPDB PAB CH$LINK: KEGG C00568 CH$LINK: NIKKAJI J5.852A -CH$LINK: PUBCHEM SID:3847 +CH$LINK: PUBCHEM CID:978 CH$LINK: INCHIKEY ALYNCZNDIQEVRV-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID6024466 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO002121.txt b/Keio_Univ/MSBNK-Keio_Univ-KO002121.txt index 5b3b9789dca..a5262d68afa 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO002121.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO002121.txt @@ -18,7 +18,7 @@ CH$LINK: CHEBI CHEBI:30753 CH$LINK: CHEMPDB PAB CH$LINK: KEGG C00568 CH$LINK: NIKKAJI J5.852A -CH$LINK: PUBCHEM SID:3847 +CH$LINK: PUBCHEM CID:978 CH$LINK: INCHIKEY ALYNCZNDIQEVRV-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID6024466 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO002122.txt b/Keio_Univ/MSBNK-Keio_Univ-KO002122.txt index 9d70763246e..72236ca37f7 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO002122.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO002122.txt @@ -18,7 +18,7 @@ CH$LINK: CHEBI CHEBI:30753 CH$LINK: CHEMPDB PAB CH$LINK: KEGG C00568 CH$LINK: NIKKAJI J5.852A -CH$LINK: PUBCHEM SID:3847 +CH$LINK: PUBCHEM CID:978 CH$LINK: INCHIKEY ALYNCZNDIQEVRV-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID6024466 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO002123.txt b/Keio_Univ/MSBNK-Keio_Univ-KO002123.txt index 73cd5e228e9..5bfa8862b55 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO002123.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO002123.txt @@ -15,7 +15,7 @@ CH$IUPAC: InChI=1S/C3H6N2/c4-2-1-3-5/h1-2,4H2 CH$LINK: CAS 151-18-8 CH$LINK: KEGG C05670 CH$LINK: NIKKAJI J10.983E -CH$LINK: PUBCHEM SID:7978 +CH$LINK: PUBCHEM CID:1647 CH$LINK: INCHIKEY AGSPXMVUFBBBMO-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID6048418 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO002124.txt b/Keio_Univ/MSBNK-Keio_Univ-KO002124.txt index 9e61d23ab1b..d5198b2cd33 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO002124.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO002124.txt @@ -15,7 +15,7 @@ CH$IUPAC: InChI=1S/C3H6N2/c4-2-1-3-5/h1-2,4H2 CH$LINK: CAS 151-18-8 CH$LINK: KEGG C05670 CH$LINK: NIKKAJI J10.983E -CH$LINK: PUBCHEM SID:7978 +CH$LINK: PUBCHEM CID:1647 CH$LINK: INCHIKEY AGSPXMVUFBBBMO-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID6048418 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO002125.txt b/Keio_Univ/MSBNK-Keio_Univ-KO002125.txt index 3f0f3d8f990..9416c77c3e6 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO002125.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO002125.txt @@ -15,7 +15,7 @@ CH$IUPAC: InChI=1S/C3H6N2/c4-2-1-3-5/h1-2,4H2 CH$LINK: CAS 151-18-8 CH$LINK: KEGG C05670 CH$LINK: NIKKAJI J10.983E -CH$LINK: PUBCHEM SID:7978 +CH$LINK: PUBCHEM CID:1647 CH$LINK: INCHIKEY AGSPXMVUFBBBMO-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID6048418 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO002126.txt b/Keio_Univ/MSBNK-Keio_Univ-KO002126.txt index 20d8c4ae2a8..45d90c513e2 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO002126.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO002126.txt @@ -15,7 +15,7 @@ CH$IUPAC: InChI=1S/C3H6N2/c4-2-1-3-5/h1-2,4H2 CH$LINK: CAS 151-18-8 CH$LINK: KEGG C05670 CH$LINK: NIKKAJI J10.983E -CH$LINK: PUBCHEM SID:7978 +CH$LINK: PUBCHEM CID:1647 CH$LINK: INCHIKEY AGSPXMVUFBBBMO-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID6048418 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO002127.txt b/Keio_Univ/MSBNK-Keio_Univ-KO002127.txt index de25c2ad59d..db99161fe3d 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO002127.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO002127.txt @@ -15,7 +15,7 @@ CH$IUPAC: InChI=1S/C3H6N2/c4-2-1-3-5/h1-2,4H2 CH$LINK: CAS 151-18-8 CH$LINK: KEGG C05670 CH$LINK: NIKKAJI J10.983E -CH$LINK: PUBCHEM SID:7978 +CH$LINK: PUBCHEM CID:1647 CH$LINK: INCHIKEY AGSPXMVUFBBBMO-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID6048418 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO002128.txt b/Keio_Univ/MSBNK-Keio_Univ-KO002128.txt index aba060f60df..00d5caf1596 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO002128.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO002128.txt @@ -17,7 +17,7 @@ CH$LINK: CAS 61-82-5 CH$LINK: CHEBI CHEBI:1448 CH$LINK: KEGG C11261 CH$LINK: NIKKAJI J2.345K -CH$LINK: PUBCHEM SID:13438 +CH$LINK: PUBCHEM CID:1639 CH$LINK: INCHIKEY KLSJWNVTNUYHDU-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID0020076 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO002129.txt b/Keio_Univ/MSBNK-Keio_Univ-KO002129.txt index 2c8c7b817dd..7265d5f4eee 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO002129.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO002129.txt @@ -17,7 +17,7 @@ CH$LINK: CAS 61-82-5 CH$LINK: CHEBI CHEBI:1448 CH$LINK: KEGG C11261 CH$LINK: NIKKAJI J2.345K -CH$LINK: PUBCHEM SID:13438 +CH$LINK: PUBCHEM CID:1639 CH$LINK: INCHIKEY KLSJWNVTNUYHDU-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID0020076 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO002130.txt b/Keio_Univ/MSBNK-Keio_Univ-KO002130.txt index e80a0ee9278..e150004c315 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO002130.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO002130.txt @@ -17,7 +17,7 @@ CH$LINK: CAS 61-82-5 CH$LINK: CHEBI CHEBI:1448 CH$LINK: KEGG C11261 CH$LINK: NIKKAJI J2.345K -CH$LINK: PUBCHEM SID:13438 +CH$LINK: PUBCHEM CID:1639 CH$LINK: INCHIKEY KLSJWNVTNUYHDU-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID0020076 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO002131.txt b/Keio_Univ/MSBNK-Keio_Univ-KO002131.txt index 164cc4799c9..563fd1ec4ae 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO002131.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO002131.txt @@ -17,7 +17,7 @@ CH$LINK: CAS 61-82-5 CH$LINK: CHEBI CHEBI:1448 CH$LINK: KEGG C11261 CH$LINK: NIKKAJI J2.345K -CH$LINK: PUBCHEM SID:13438 +CH$LINK: PUBCHEM CID:1639 CH$LINK: INCHIKEY KLSJWNVTNUYHDU-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID0020076 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO002132.txt b/Keio_Univ/MSBNK-Keio_Univ-KO002132.txt index 67ceb5472d6..452b46401bb 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO002132.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO002132.txt @@ -17,7 +17,7 @@ CH$LINK: CAS 61-82-5 CH$LINK: CHEBI CHEBI:1448 CH$LINK: KEGG C11261 CH$LINK: NIKKAJI J2.345K -CH$LINK: PUBCHEM SID:13438 +CH$LINK: PUBCHEM CID:1639 CH$LINK: INCHIKEY KLSJWNVTNUYHDU-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID0020076 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO002138.txt b/Keio_Univ/MSBNK-Keio_Univ-KO002138.txt index e3c21aa3dd3..2db69eb2433 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO002138.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO002138.txt @@ -15,7 +15,7 @@ CH$IUPAC: InChI=1S/C4H9NO2/c1-4(2,5)3(6)7/h5H2,1-2H3,(H,6,7) CH$LINK: CAS 62-57-7 CH$LINK: KEGG C03665 CH$LINK: NIKKAJI J38.908K -CH$LINK: PUBCHEM SID:6443 +CH$LINK: PUBCHEM CID:6119 CH$LINK: INCHIKEY FUOOLUPWFVMBKG-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID0058772 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO002139.txt b/Keio_Univ/MSBNK-Keio_Univ-KO002139.txt index 2e1f39e34e0..583fb7c6574 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO002139.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO002139.txt @@ -15,7 +15,7 @@ CH$IUPAC: InChI=1S/C4H9NO2/c1-4(2,5)3(6)7/h5H2,1-2H3,(H,6,7) CH$LINK: CAS 62-57-7 CH$LINK: KEGG C03665 CH$LINK: NIKKAJI J38.908K -CH$LINK: PUBCHEM SID:6443 +CH$LINK: PUBCHEM CID:6119 CH$LINK: INCHIKEY FUOOLUPWFVMBKG-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID0058772 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO002140.txt b/Keio_Univ/MSBNK-Keio_Univ-KO002140.txt index 9765c417e37..121012ca50f 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO002140.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO002140.txt @@ -15,7 +15,7 @@ CH$IUPAC: InChI=1S/C4H9NO2/c1-4(2,5)3(6)7/h5H2,1-2H3,(H,6,7) CH$LINK: CAS 62-57-7 CH$LINK: KEGG C03665 CH$LINK: NIKKAJI J38.908K -CH$LINK: PUBCHEM SID:6443 +CH$LINK: PUBCHEM CID:6119 CH$LINK: INCHIKEY FUOOLUPWFVMBKG-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID0058772 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO002141.txt b/Keio_Univ/MSBNK-Keio_Univ-KO002141.txt index f5f28672d29..136610d74ff 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO002141.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO002141.txt @@ -15,7 +15,7 @@ CH$IUPAC: InChI=1S/C4H9NO2/c1-4(2,5)3(6)7/h5H2,1-2H3,(H,6,7) CH$LINK: CAS 62-57-7 CH$LINK: KEGG C03665 CH$LINK: NIKKAJI J38.908K -CH$LINK: PUBCHEM SID:6443 +CH$LINK: PUBCHEM CID:6119 CH$LINK: INCHIKEY FUOOLUPWFVMBKG-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID0058772 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO002142.txt b/Keio_Univ/MSBNK-Keio_Univ-KO002142.txt index b31e4d08d53..9e9fe7f96ec 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO002142.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO002142.txt @@ -15,7 +15,7 @@ CH$IUPAC: InChI=1S/C4H9NO2/c1-4(2,5)3(6)7/h5H2,1-2H3,(H,6,7) CH$LINK: CAS 62-57-7 CH$LINK: KEGG C03665 CH$LINK: NIKKAJI J38.908K -CH$LINK: PUBCHEM SID:6443 +CH$LINK: PUBCHEM CID:6119 CH$LINK: INCHIKEY FUOOLUPWFVMBKG-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID0058772 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO002143.txt b/Keio_Univ/MSBNK-Keio_Univ-KO002143.txt index 2550af2819d..85c987f46ae 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO002143.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO002143.txt @@ -16,7 +16,7 @@ CH$IUPAC: InChI=1S/C6H11NO2/c7-6(5(8)9)3-1-2-4-6/h1-4,7H2,(H,8,9) CH$LINK: CAS 52-52-8 CH$LINK: KEGG C03969 CH$LINK: NIKKAJI J4.131I -CH$LINK: PUBCHEM SID:6689 +CH$LINK: PUBCHEM CID:2901 CH$LINK: INCHIKEY NILQLFBWTXNUOE-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID5024475 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO002144.txt b/Keio_Univ/MSBNK-Keio_Univ-KO002144.txt index 73343ef4fa9..13469934bb1 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO002144.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO002144.txt @@ -16,7 +16,7 @@ CH$IUPAC: InChI=1S/C6H11NO2/c7-6(5(8)9)3-1-2-4-6/h1-4,7H2,(H,8,9) CH$LINK: CAS 52-52-8 CH$LINK: KEGG C03969 CH$LINK: NIKKAJI J4.131I -CH$LINK: PUBCHEM SID:6689 +CH$LINK: PUBCHEM CID:2901 CH$LINK: INCHIKEY NILQLFBWTXNUOE-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID5024475 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO002145.txt b/Keio_Univ/MSBNK-Keio_Univ-KO002145.txt index 6c15287f174..cb4c58ee02e 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO002145.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO002145.txt @@ -16,7 +16,7 @@ CH$IUPAC: InChI=1S/C6H11NO2/c7-6(5(8)9)3-1-2-4-6/h1-4,7H2,(H,8,9) CH$LINK: CAS 52-52-8 CH$LINK: KEGG C03969 CH$LINK: NIKKAJI J4.131I -CH$LINK: PUBCHEM SID:6689 +CH$LINK: PUBCHEM CID:2901 CH$LINK: INCHIKEY NILQLFBWTXNUOE-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID5024475 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO002146.txt b/Keio_Univ/MSBNK-Keio_Univ-KO002146.txt index 584215bf75f..de5ce28c33a 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO002146.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO002146.txt @@ -16,7 +16,7 @@ CH$IUPAC: InChI=1S/C6H11NO2/c7-6(5(8)9)3-1-2-4-6/h1-4,7H2,(H,8,9) CH$LINK: CAS 52-52-8 CH$LINK: KEGG C03969 CH$LINK: NIKKAJI J4.131I -CH$LINK: PUBCHEM SID:6689 +CH$LINK: PUBCHEM CID:2901 CH$LINK: INCHIKEY NILQLFBWTXNUOE-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID5024475 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO002147.txt b/Keio_Univ/MSBNK-Keio_Univ-KO002147.txt index da05c4e1ff2..aff588bc821 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO002147.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO002147.txt @@ -16,7 +16,7 @@ CH$IUPAC: InChI=1S/C6H11NO2/c7-6(5(8)9)3-1-2-4-6/h1-4,7H2,(H,8,9) CH$LINK: CAS 52-52-8 CH$LINK: KEGG C03969 CH$LINK: NIKKAJI J4.131I -CH$LINK: PUBCHEM SID:6689 +CH$LINK: PUBCHEM CID:2901 CH$LINK: INCHIKEY NILQLFBWTXNUOE-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID5024475 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO002148.txt b/Keio_Univ/MSBNK-Keio_Univ-KO002148.txt index c5df3c44bf6..5595af9c2e8 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO002148.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO002148.txt @@ -13,7 +13,7 @@ CH$IUPAC: InChI=1S/C6H14N2O/c1-6(9)8-5-3-2-4-7/h2-5,7H2,1H3,(H,8,9) CH$LINK: CAS 18233-70-0 CH$LINK: CHEBI CHEBI:17768 CH$LINK: KEGG C02714 -CH$LINK: PUBCHEM SID:5677 +CH$LINK: PUBCHEM CID:122356 CH$LINK: INCHIKEY KLZGKIDSEJWEDW-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID80205596 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO002149.txt b/Keio_Univ/MSBNK-Keio_Univ-KO002149.txt index b341fd43785..7f403d46d03 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO002149.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO002149.txt @@ -13,7 +13,7 @@ CH$IUPAC: InChI=1S/C6H14N2O/c1-6(9)8-5-3-2-4-7/h2-5,7H2,1H3,(H,8,9) CH$LINK: CAS 18233-70-0 CH$LINK: CHEBI CHEBI:17768 CH$LINK: KEGG C02714 -CH$LINK: PUBCHEM SID:5677 +CH$LINK: PUBCHEM CID:122356 CH$LINK: INCHIKEY KLZGKIDSEJWEDW-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID80205596 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO002150.txt b/Keio_Univ/MSBNK-Keio_Univ-KO002150.txt index d854b58811f..758e0830e99 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO002150.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO002150.txt @@ -13,7 +13,7 @@ CH$IUPAC: InChI=1S/C6H14N2O/c1-6(9)8-5-3-2-4-7/h2-5,7H2,1H3,(H,8,9) CH$LINK: CAS 18233-70-0 CH$LINK: CHEBI CHEBI:17768 CH$LINK: KEGG C02714 -CH$LINK: PUBCHEM SID:5677 +CH$LINK: PUBCHEM CID:122356 CH$LINK: INCHIKEY KLZGKIDSEJWEDW-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID80205596 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO002151.txt b/Keio_Univ/MSBNK-Keio_Univ-KO002151.txt index 847eb16594e..8bdda172d55 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO002151.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO002151.txt @@ -13,7 +13,7 @@ CH$IUPAC: InChI=1S/C6H14N2O/c1-6(9)8-5-3-2-4-7/h2-5,7H2,1H3,(H,8,9) CH$LINK: CAS 18233-70-0 CH$LINK: CHEBI CHEBI:17768 CH$LINK: KEGG C02714 -CH$LINK: PUBCHEM SID:5677 +CH$LINK: PUBCHEM CID:122356 CH$LINK: INCHIKEY KLZGKIDSEJWEDW-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID80205596 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO002152.txt b/Keio_Univ/MSBNK-Keio_Univ-KO002152.txt index 672ae349d62..afb5fbfcf85 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO002152.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO002152.txt @@ -13,7 +13,7 @@ CH$IUPAC: InChI=1S/C6H14N2O/c1-6(9)8-5-3-2-4-7/h2-5,7H2,1H3,(H,8,9) CH$LINK: CAS 18233-70-0 CH$LINK: CHEBI CHEBI:17768 CH$LINK: KEGG C02714 -CH$LINK: PUBCHEM SID:5677 +CH$LINK: PUBCHEM CID:122356 CH$LINK: INCHIKEY KLZGKIDSEJWEDW-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID80205596 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO002153.txt b/Keio_Univ/MSBNK-Keio_Univ-KO002153.txt index 51ecc68f608..672c8c84f90 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO002153.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO002153.txt @@ -17,7 +17,7 @@ CH$LINK: CAS 106-60-5 CH$LINK: CHEBI CHEBI:17549 CH$LINK: KEGG C00430 CH$LINK: NIKKAJI J38.537I -CH$LINK: PUBCHEM SID:3719 +CH$LINK: PUBCHEM CID:137 CH$LINK: INCHIKEY ZGXJTSGNIOSYLO-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID8048490 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO002154.txt b/Keio_Univ/MSBNK-Keio_Univ-KO002154.txt index c84750be895..015882525a7 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO002154.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO002154.txt @@ -17,7 +17,7 @@ CH$LINK: CAS 106-60-5 CH$LINK: CHEBI CHEBI:17549 CH$LINK: KEGG C00430 CH$LINK: NIKKAJI J38.537I -CH$LINK: PUBCHEM SID:3719 +CH$LINK: PUBCHEM CID:137 CH$LINK: INCHIKEY ZGXJTSGNIOSYLO-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID8048490 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO002155.txt b/Keio_Univ/MSBNK-Keio_Univ-KO002155.txt index a0e47b349b1..006ed7be2a2 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO002155.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO002155.txt @@ -17,7 +17,7 @@ CH$LINK: CAS 106-60-5 CH$LINK: CHEBI CHEBI:17549 CH$LINK: KEGG C00430 CH$LINK: NIKKAJI J38.537I -CH$LINK: PUBCHEM SID:3719 +CH$LINK: PUBCHEM CID:137 CH$LINK: INCHIKEY ZGXJTSGNIOSYLO-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID8048490 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO002156.txt b/Keio_Univ/MSBNK-Keio_Univ-KO002156.txt index 6d6346f8935..f6a483e596d 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO002156.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO002156.txt @@ -17,7 +17,7 @@ CH$LINK: CAS 106-60-5 CH$LINK: CHEBI CHEBI:17549 CH$LINK: KEGG C00430 CH$LINK: NIKKAJI J38.537I -CH$LINK: PUBCHEM SID:3719 +CH$LINK: PUBCHEM CID:137 CH$LINK: INCHIKEY ZGXJTSGNIOSYLO-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID8048490 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO002157.txt b/Keio_Univ/MSBNK-Keio_Univ-KO002157.txt index 4ba1ab95b08..998726200a8 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO002157.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO002157.txt @@ -17,7 +17,7 @@ CH$LINK: CAS 106-60-5 CH$LINK: CHEBI CHEBI:17549 CH$LINK: KEGG C00430 CH$LINK: NIKKAJI J38.537I -CH$LINK: PUBCHEM SID:3719 +CH$LINK: PUBCHEM CID:137 CH$LINK: INCHIKEY ZGXJTSGNIOSYLO-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID8048490 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO002158.txt b/Keio_Univ/MSBNK-Keio_Univ-KO002158.txt index ca20669da17..9fd3befb71d 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO002158.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO002158.txt @@ -17,7 +17,7 @@ CH$LINK: CAS 60-32-2 CH$LINK: CHEBI CHEBI:32396 CH$LINK: KEGG C02378 CH$LINK: NIKKAJI J1.398F -CH$LINK: PUBCHEM SID:5420 +CH$LINK: PUBCHEM CID:564 CH$LINK: INCHIKEY SLXKOJJOQWFEFD-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID0020070 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO002159.txt b/Keio_Univ/MSBNK-Keio_Univ-KO002159.txt index cb425e8954b..03a6ad12f8e 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO002159.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO002159.txt @@ -17,7 +17,7 @@ CH$LINK: CAS 60-32-2 CH$LINK: CHEBI CHEBI:32396 CH$LINK: KEGG C02378 CH$LINK: NIKKAJI J1.398F -CH$LINK: PUBCHEM SID:5420 +CH$LINK: PUBCHEM CID:564 CH$LINK: INCHIKEY SLXKOJJOQWFEFD-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID0020070 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO002160.txt b/Keio_Univ/MSBNK-Keio_Univ-KO002160.txt index 5ee77e01bc0..e335f0ad7e3 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO002160.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO002160.txt @@ -17,7 +17,7 @@ CH$LINK: CAS 60-32-2 CH$LINK: CHEBI CHEBI:32396 CH$LINK: KEGG C02378 CH$LINK: NIKKAJI J1.398F -CH$LINK: PUBCHEM SID:5420 +CH$LINK: PUBCHEM CID:564 CH$LINK: INCHIKEY SLXKOJJOQWFEFD-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID0020070 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO002161.txt b/Keio_Univ/MSBNK-Keio_Univ-KO002161.txt index c84555bbbd3..98713d7114b 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO002161.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO002161.txt @@ -17,7 +17,7 @@ CH$LINK: CAS 60-32-2 CH$LINK: CHEBI CHEBI:32396 CH$LINK: KEGG C02378 CH$LINK: NIKKAJI J1.398F -CH$LINK: PUBCHEM SID:5420 +CH$LINK: PUBCHEM CID:564 CH$LINK: INCHIKEY SLXKOJJOQWFEFD-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID0020070 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO002162.txt b/Keio_Univ/MSBNK-Keio_Univ-KO002162.txt index fd615c3cddb..2ae0d7015e3 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO002162.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO002162.txt @@ -17,7 +17,7 @@ CH$LINK: CAS 60-32-2 CH$LINK: CHEBI CHEBI:32396 CH$LINK: KEGG C02378 CH$LINK: NIKKAJI J1.398F -CH$LINK: PUBCHEM SID:5420 +CH$LINK: PUBCHEM CID:564 CH$LINK: INCHIKEY SLXKOJJOQWFEFD-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID0020070 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO002163.txt b/Keio_Univ/MSBNK-Keio_Univ-KO002163.txt index 835b205db2c..b9062d42b37 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO002163.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO002163.txt @@ -18,7 +18,7 @@ CH$LINK: CHEBI CHEBI:17296 CH$LINK: CHEMPDB ANL CH$LINK: KEGG C00292 CH$LINK: NIKKAJI J2.349C -CH$LINK: PUBCHEM SID:3586 +CH$LINK: PUBCHEM CID:6115 CH$LINK: INCHIKEY PAYRUJLWNCNPSJ-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID8020090 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO002164.txt b/Keio_Univ/MSBNK-Keio_Univ-KO002164.txt index c2638ec85ca..04bfabbdcf6 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO002164.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO002164.txt @@ -18,7 +18,7 @@ CH$LINK: CHEBI CHEBI:17296 CH$LINK: CHEMPDB ANL CH$LINK: KEGG C00292 CH$LINK: NIKKAJI J2.349C -CH$LINK: PUBCHEM SID:3586 +CH$LINK: PUBCHEM CID:6115 CH$LINK: INCHIKEY PAYRUJLWNCNPSJ-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID8020090 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO002165.txt b/Keio_Univ/MSBNK-Keio_Univ-KO002165.txt index 54c5b5a682e..79df7b42702 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO002165.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO002165.txt @@ -18,7 +18,7 @@ CH$LINK: CHEBI CHEBI:17296 CH$LINK: CHEMPDB ANL CH$LINK: KEGG C00292 CH$LINK: NIKKAJI J2.349C -CH$LINK: PUBCHEM SID:3586 +CH$LINK: PUBCHEM CID:6115 CH$LINK: INCHIKEY PAYRUJLWNCNPSJ-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID8020090 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO002166.txt b/Keio_Univ/MSBNK-Keio_Univ-KO002166.txt index afc3b3b4044..00a36d2eeef 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO002166.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO002166.txt @@ -18,7 +18,7 @@ CH$LINK: CHEBI CHEBI:17296 CH$LINK: CHEMPDB ANL CH$LINK: KEGG C00292 CH$LINK: NIKKAJI J2.349C -CH$LINK: PUBCHEM SID:3586 +CH$LINK: PUBCHEM CID:6115 CH$LINK: INCHIKEY PAYRUJLWNCNPSJ-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID8020090 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO002167.txt b/Keio_Univ/MSBNK-Keio_Univ-KO002167.txt index d21305b259f..1ef01cf2a0c 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO002167.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO002167.txt @@ -18,7 +18,7 @@ CH$LINK: CHEBI CHEBI:17296 CH$LINK: CHEMPDB ANL CH$LINK: KEGG C00292 CH$LINK: NIKKAJI J2.349C -CH$LINK: PUBCHEM SID:3586 +CH$LINK: PUBCHEM CID:6115 CH$LINK: INCHIKEY PAYRUJLWNCNPSJ-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID8020090 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO002168.txt b/Keio_Univ/MSBNK-Keio_Univ-KO002168.txt index dba98b2cbac..ccb41ecc59c 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO002168.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO002168.txt @@ -14,7 +14,7 @@ CH$SMILES: NCCP(O)(O)=O CH$IUPAC: InChI=1S/C2H8NO3P/c3-1-2-7(4,5)6/h1-3H2,(H2,4,5,6) CH$LINK: CHEBI CHEBI:15573 CH$LINK: KEGG C03557 -CH$LINK: PUBCHEM SID:6353 +CH$LINK: PUBCHEM CID:339 CH$LINK: INCHIKEY QQVDJLLNRSOCEL-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID10174362 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO002169.txt b/Keio_Univ/MSBNK-Keio_Univ-KO002169.txt index 58efba13c0a..91ad45e9a10 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO002169.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO002169.txt @@ -14,7 +14,7 @@ CH$SMILES: NCCP(O)(O)=O CH$IUPAC: InChI=1S/C2H8NO3P/c3-1-2-7(4,5)6/h1-3H2,(H2,4,5,6) CH$LINK: CHEBI CHEBI:15573 CH$LINK: KEGG C03557 -CH$LINK: PUBCHEM SID:6353 +CH$LINK: PUBCHEM CID:339 CH$LINK: INCHIKEY QQVDJLLNRSOCEL-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID10174362 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO002170.txt b/Keio_Univ/MSBNK-Keio_Univ-KO002170.txt index 77e77640876..1767087aedf 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO002170.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO002170.txt @@ -14,7 +14,7 @@ CH$SMILES: NCCP(O)(O)=O CH$IUPAC: InChI=1S/C2H8NO3P/c3-1-2-7(4,5)6/h1-3H2,(H2,4,5,6) CH$LINK: CHEBI CHEBI:15573 CH$LINK: KEGG C03557 -CH$LINK: PUBCHEM SID:6353 +CH$LINK: PUBCHEM CID:339 CH$LINK: INCHIKEY QQVDJLLNRSOCEL-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID10174362 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO002171.txt b/Keio_Univ/MSBNK-Keio_Univ-KO002171.txt index 563234bede6..f71115c5f19 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO002171.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO002171.txt @@ -14,7 +14,7 @@ CH$SMILES: NCCP(O)(O)=O CH$IUPAC: InChI=1S/C2H8NO3P/c3-1-2-7(4,5)6/h1-3H2,(H2,4,5,6) CH$LINK: CHEBI CHEBI:15573 CH$LINK: KEGG C03557 -CH$LINK: PUBCHEM SID:6353 +CH$LINK: PUBCHEM CID:339 CH$LINK: INCHIKEY QQVDJLLNRSOCEL-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID10174362 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO002172.txt b/Keio_Univ/MSBNK-Keio_Univ-KO002172.txt index ab489a558fc..0db64d078c5 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO002172.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO002172.txt @@ -14,7 +14,7 @@ CH$SMILES: NCCP(O)(O)=O CH$IUPAC: InChI=1S/C2H8NO3P/c3-1-2-7(4,5)6/h1-3H2,(H2,4,5,6) CH$LINK: CHEBI CHEBI:15573 CH$LINK: KEGG C03557 -CH$LINK: PUBCHEM SID:6353 +CH$LINK: PUBCHEM CID:339 CH$LINK: INCHIKEY QQVDJLLNRSOCEL-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID10174362 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO002173.txt b/Keio_Univ/MSBNK-Keio_Univ-KO002173.txt index 28c717e4b81..aba160d1ea6 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO002173.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO002173.txt @@ -16,7 +16,7 @@ CH$LINK: CAS 638-23-3 CH$LINK: CHEBI CHEBI:16163 CH$LINK: KEGG C03727 CH$LINK: NIKKAJI J2.289F -CH$LINK: PUBCHEM SID:6492 +CH$LINK: PUBCHEM CID:193653 CH$LINK: INCHIKEY GBFLZEXEOZUWRN-VKHMYHEASA-N CH$LINK: COMPTOX DTXSID30110060 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO002174.txt b/Keio_Univ/MSBNK-Keio_Univ-KO002174.txt index 8da504af0d7..8bc5e4a94f1 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO002174.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO002174.txt @@ -16,7 +16,7 @@ CH$LINK: CAS 638-23-3 CH$LINK: CHEBI CHEBI:16163 CH$LINK: KEGG C03727 CH$LINK: NIKKAJI J2.289F -CH$LINK: PUBCHEM SID:6492 +CH$LINK: PUBCHEM CID:193653 CH$LINK: INCHIKEY GBFLZEXEOZUWRN-VKHMYHEASA-N CH$LINK: COMPTOX DTXSID30110060 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO002175.txt b/Keio_Univ/MSBNK-Keio_Univ-KO002175.txt index b14fc891b4c..fc8fe2ee6e2 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO002175.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO002175.txt @@ -16,7 +16,7 @@ CH$LINK: CAS 638-23-3 CH$LINK: CHEBI CHEBI:16163 CH$LINK: KEGG C03727 CH$LINK: NIKKAJI J2.289F -CH$LINK: PUBCHEM SID:6492 +CH$LINK: PUBCHEM CID:193653 CH$LINK: INCHIKEY GBFLZEXEOZUWRN-VKHMYHEASA-N CH$LINK: COMPTOX DTXSID30110060 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO002176.txt b/Keio_Univ/MSBNK-Keio_Univ-KO002176.txt index f826e799938..60ac4622dd5 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO002176.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO002176.txt @@ -16,7 +16,7 @@ CH$LINK: CAS 638-23-3 CH$LINK: CHEBI CHEBI:16163 CH$LINK: KEGG C03727 CH$LINK: NIKKAJI J2.289F -CH$LINK: PUBCHEM SID:6492 +CH$LINK: PUBCHEM CID:193653 CH$LINK: INCHIKEY GBFLZEXEOZUWRN-VKHMYHEASA-N CH$LINK: COMPTOX DTXSID30110060 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO002177.txt b/Keio_Univ/MSBNK-Keio_Univ-KO002177.txt index d3cb1e7969d..acb4c1c1abb 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO002177.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO002177.txt @@ -16,7 +16,7 @@ CH$LINK: CAS 638-23-3 CH$LINK: CHEBI CHEBI:16163 CH$LINK: KEGG C03727 CH$LINK: NIKKAJI J2.289F -CH$LINK: PUBCHEM SID:6492 +CH$LINK: PUBCHEM CID:193653 CH$LINK: INCHIKEY GBFLZEXEOZUWRN-VKHMYHEASA-N CH$LINK: COMPTOX DTXSID30110060 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO002178.txt b/Keio_Univ/MSBNK-Keio_Univ-KO002178.txt index a1b87ac6a18..960d81ee79f 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO002178.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO002178.txt @@ -16,7 +16,7 @@ CH$LINK: CHEBI CHEBI:15355 CH$LINK: CHEMPDB ACH CH$LINK: KEGG C01996 CH$LINK: NIKKAJI J4.127K -CH$LINK: PUBCHEM SID:5093 +CH$LINK: PUBCHEM CID:187 CH$LINK: INCHIKEY OIPILFWXSMYKGL-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID8075334 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO002179.txt b/Keio_Univ/MSBNK-Keio_Univ-KO002179.txt index 1710ccd31a8..901a04121de 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO002179.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO002179.txt @@ -16,7 +16,7 @@ CH$LINK: CHEBI CHEBI:15355 CH$LINK: CHEMPDB ACH CH$LINK: KEGG C01996 CH$LINK: NIKKAJI J4.127K -CH$LINK: PUBCHEM SID:5093 +CH$LINK: PUBCHEM CID:187 CH$LINK: INCHIKEY OIPILFWXSMYKGL-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID8075334 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO002180.txt b/Keio_Univ/MSBNK-Keio_Univ-KO002180.txt index acfe4fc2231..adfbf847ed3 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO002180.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO002180.txt @@ -16,7 +16,7 @@ CH$LINK: CHEBI CHEBI:15355 CH$LINK: CHEMPDB ACH CH$LINK: KEGG C01996 CH$LINK: NIKKAJI J4.127K -CH$LINK: PUBCHEM SID:5093 +CH$LINK: PUBCHEM CID:187 CH$LINK: INCHIKEY OIPILFWXSMYKGL-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID8075334 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO002181.txt b/Keio_Univ/MSBNK-Keio_Univ-KO002181.txt index 1fffc347c9c..14ff4c99366 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO002181.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO002181.txt @@ -16,7 +16,7 @@ CH$LINK: CHEBI CHEBI:15355 CH$LINK: CHEMPDB ACH CH$LINK: KEGG C01996 CH$LINK: NIKKAJI J4.127K -CH$LINK: PUBCHEM SID:5093 +CH$LINK: PUBCHEM CID:187 CH$LINK: INCHIKEY OIPILFWXSMYKGL-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID8075334 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO002182.txt b/Keio_Univ/MSBNK-Keio_Univ-KO002182.txt index d6f1ee31b07..b05262d0a58 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO002182.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO002182.txt @@ -16,7 +16,7 @@ CH$LINK: CHEBI CHEBI:15355 CH$LINK: CHEMPDB ACH CH$LINK: KEGG C01996 CH$LINK: NIKKAJI J4.127K -CH$LINK: PUBCHEM SID:5093 +CH$LINK: PUBCHEM CID:187 CH$LINK: INCHIKEY OIPILFWXSMYKGL-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID8075334 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO002183.txt b/Keio_Univ/MSBNK-Keio_Univ-KO002183.txt index 57aa27a26e0..3dc468780ed 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO002183.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO002183.txt @@ -15,7 +15,7 @@ CH$LINK: CAS 768-94-5 CH$LINK: CHEBI CHEBI:2618 CH$LINK: KEGG C06818 CH$LINK: NIKKAJI J6.971J -CH$LINK: PUBCHEM SID:9036 +CH$LINK: PUBCHEM CID:2130 CH$LINK: INCHIKEY DKNWSYNQZKUICI-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID8022117 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO002184.txt b/Keio_Univ/MSBNK-Keio_Univ-KO002184.txt index 5be9fa65968..d58b6124a44 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO002184.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO002184.txt @@ -15,7 +15,7 @@ CH$LINK: CAS 768-94-5 CH$LINK: CHEBI CHEBI:2618 CH$LINK: KEGG C06818 CH$LINK: NIKKAJI J6.971J -CH$LINK: PUBCHEM SID:9036 +CH$LINK: PUBCHEM CID:2130 CH$LINK: INCHIKEY DKNWSYNQZKUICI-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID8022117 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO002185.txt b/Keio_Univ/MSBNK-Keio_Univ-KO002185.txt index 95635678cc4..47dce246023 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO002185.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO002185.txt @@ -15,7 +15,7 @@ CH$LINK: CAS 768-94-5 CH$LINK: CHEBI CHEBI:2618 CH$LINK: KEGG C06818 CH$LINK: NIKKAJI J6.971J -CH$LINK: PUBCHEM SID:9036 +CH$LINK: PUBCHEM CID:2130 CH$LINK: INCHIKEY DKNWSYNQZKUICI-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID8022117 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO002186.txt b/Keio_Univ/MSBNK-Keio_Univ-KO002186.txt index 0b21b57c71e..05ecaa36d17 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO002186.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO002186.txt @@ -15,7 +15,7 @@ CH$LINK: CAS 768-94-5 CH$LINK: CHEBI CHEBI:2618 CH$LINK: KEGG C06818 CH$LINK: NIKKAJI J6.971J -CH$LINK: PUBCHEM SID:9036 +CH$LINK: PUBCHEM CID:2130 CH$LINK: INCHIKEY DKNWSYNQZKUICI-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID8022117 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO002187.txt b/Keio_Univ/MSBNK-Keio_Univ-KO002187.txt index 20cdea6cd54..ec9867cd4cb 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO002187.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO002187.txt @@ -15,7 +15,7 @@ CH$LINK: CAS 768-94-5 CH$LINK: CHEBI CHEBI:2618 CH$LINK: KEGG C06818 CH$LINK: NIKKAJI J6.971J -CH$LINK: PUBCHEM SID:9036 +CH$LINK: PUBCHEM CID:2130 CH$LINK: INCHIKEY DKNWSYNQZKUICI-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID8022117 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO002188.txt b/Keio_Univ/MSBNK-Keio_Univ-KO002188.txt index fdc559705cb..2dd49cc4561 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO002188.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO002188.txt @@ -13,7 +13,7 @@ CH$IUPAC: InChI=1S/C6H11NO3S/c1-2-3-11(10)4-5(7)6(8)9/h2,5H,1,3-4,7H2,(H,8,9)/t5 CH$LINK: CAS 556-27-4 CH$LINK: KEGG C08265 CH$LINK: NIKKAJI J13.586K -CH$LINK: PUBCHEM SID:10464 +CH$LINK: PUBCHEM CID:87310 CH$LINK: INCHIKEY XUHLIQGRKRUKPH-ITZCMCNPSA-N AC$INSTRUMENT: API3000, Applied Biosystems AC$INSTRUMENT_TYPE: LC-ESI-QQ diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO002189.txt b/Keio_Univ/MSBNK-Keio_Univ-KO002189.txt index 13c8387a697..af679fea6da 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO002189.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO002189.txt @@ -13,7 +13,7 @@ CH$IUPAC: InChI=1S/C6H11NO3S/c1-2-3-11(10)4-5(7)6(8)9/h2,5H,1,3-4,7H2,(H,8,9)/t5 CH$LINK: CAS 556-27-4 CH$LINK: KEGG C08265 CH$LINK: NIKKAJI J13.586K -CH$LINK: PUBCHEM SID:10464 +CH$LINK: PUBCHEM CID:87310 CH$LINK: INCHIKEY XUHLIQGRKRUKPH-ITZCMCNPSA-N AC$INSTRUMENT: API3000, Applied Biosystems AC$INSTRUMENT_TYPE: LC-ESI-QQ diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO002190.txt b/Keio_Univ/MSBNK-Keio_Univ-KO002190.txt index 7f1897b022b..82c32277520 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO002190.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO002190.txt @@ -13,7 +13,7 @@ CH$IUPAC: InChI=1S/C6H11NO3S/c1-2-3-11(10)4-5(7)6(8)9/h2,5H,1,3-4,7H2,(H,8,9)/t5 CH$LINK: CAS 556-27-4 CH$LINK: KEGG C08265 CH$LINK: NIKKAJI J13.586K -CH$LINK: PUBCHEM SID:10464 +CH$LINK: PUBCHEM CID:87310 CH$LINK: INCHIKEY XUHLIQGRKRUKPH-ITZCMCNPSA-N AC$INSTRUMENT: API3000, Applied Biosystems AC$INSTRUMENT_TYPE: LC-ESI-QQ diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO002191.txt b/Keio_Univ/MSBNK-Keio_Univ-KO002191.txt index 70aefc911d8..934586d68e5 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO002191.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO002191.txt @@ -13,7 +13,7 @@ CH$IUPAC: InChI=1S/C6H11NO3S/c1-2-3-11(10)4-5(7)6(8)9/h2,5H,1,3-4,7H2,(H,8,9)/t5 CH$LINK: CAS 556-27-4 CH$LINK: KEGG C08265 CH$LINK: NIKKAJI J13.586K -CH$LINK: PUBCHEM SID:10464 +CH$LINK: PUBCHEM CID:87310 CH$LINK: INCHIKEY XUHLIQGRKRUKPH-ITZCMCNPSA-N AC$INSTRUMENT: API3000, Applied Biosystems AC$INSTRUMENT_TYPE: LC-ESI-QQ diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO002192.txt b/Keio_Univ/MSBNK-Keio_Univ-KO002192.txt index 8140310bcbe..13ff4e3ef77 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO002192.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO002192.txt @@ -13,7 +13,7 @@ CH$IUPAC: InChI=1S/C6H11NO3S/c1-2-3-11(10)4-5(7)6(8)9/h2,5H,1,3-4,7H2,(H,8,9)/t5 CH$LINK: CAS 556-27-4 CH$LINK: KEGG C08265 CH$LINK: NIKKAJI J13.586K -CH$LINK: PUBCHEM SID:10464 +CH$LINK: PUBCHEM CID:87310 CH$LINK: INCHIKEY XUHLIQGRKRUKPH-ITZCMCNPSA-N AC$INSTRUMENT: API3000, Applied Biosystems AC$INSTRUMENT_TYPE: LC-ESI-QQ diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO002193.txt b/Keio_Univ/MSBNK-Keio_Univ-KO002193.txt index f5d711a2dac..5dc35eda537 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO002193.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO002193.txt @@ -13,7 +13,7 @@ CH$IUPAC: InChI=1S/C7H13NO3S/c1-5(9)8-6(7(10)11)3-4-12-2/h6H,3-4H2,1-2H3,(H,8,9) CH$LINK: CAS 65-82-7 CH$LINK: KEGG C02712 CH$LINK: NIKKAJI J4.840B -CH$LINK: PUBCHEM SID:5675 +CH$LINK: PUBCHEM CID:448580 CH$LINK: INCHIKEY XUYPXLNMDZIRQH-LURJTMIESA-N CH$LINK: COMPTOX DTXSID00883214 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO002194.txt b/Keio_Univ/MSBNK-Keio_Univ-KO002194.txt index 7ee511cd8c2..7d91b7322b6 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO002194.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO002194.txt @@ -13,7 +13,7 @@ CH$IUPAC: InChI=1S/C7H13NO3S/c1-5(9)8-6(7(10)11)3-4-12-2/h6H,3-4H2,1-2H3,(H,8,9) CH$LINK: CAS 65-82-7 CH$LINK: KEGG C02712 CH$LINK: NIKKAJI J4.840B -CH$LINK: PUBCHEM SID:5675 +CH$LINK: PUBCHEM CID:448580 CH$LINK: INCHIKEY XUYPXLNMDZIRQH-LURJTMIESA-N CH$LINK: COMPTOX DTXSID00883214 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO002195.txt b/Keio_Univ/MSBNK-Keio_Univ-KO002195.txt index 922741c19af..2fedc801a42 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO002195.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO002195.txt @@ -13,7 +13,7 @@ CH$IUPAC: InChI=1S/C7H13NO3S/c1-5(9)8-6(7(10)11)3-4-12-2/h6H,3-4H2,1-2H3,(H,8,9) CH$LINK: CAS 65-82-7 CH$LINK: KEGG C02712 CH$LINK: NIKKAJI J4.840B -CH$LINK: PUBCHEM SID:5675 +CH$LINK: PUBCHEM CID:448580 CH$LINK: INCHIKEY XUYPXLNMDZIRQH-LURJTMIESA-N CH$LINK: COMPTOX DTXSID00883214 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO002196.txt b/Keio_Univ/MSBNK-Keio_Univ-KO002196.txt index 6daf1837804..b9bc1bac8ad 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO002196.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO002196.txt @@ -13,7 +13,7 @@ CH$IUPAC: InChI=1S/C7H13NO3S/c1-5(9)8-6(7(10)11)3-4-12-2/h6H,3-4H2,1-2H3,(H,8,9) CH$LINK: CAS 65-82-7 CH$LINK: KEGG C02712 CH$LINK: NIKKAJI J4.840B -CH$LINK: PUBCHEM SID:5675 +CH$LINK: PUBCHEM CID:448580 CH$LINK: INCHIKEY XUYPXLNMDZIRQH-LURJTMIESA-N CH$LINK: COMPTOX DTXSID00883214 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO002197.txt b/Keio_Univ/MSBNK-Keio_Univ-KO002197.txt index e41300a40c7..ed004fe322d 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO002197.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO002197.txt @@ -13,7 +13,7 @@ CH$IUPAC: InChI=1S/C7H13NO3S/c1-5(9)8-6(7(10)11)3-4-12-2/h6H,3-4H2,1-2H3,(H,8,9) CH$LINK: CAS 65-82-7 CH$LINK: KEGG C02712 CH$LINK: NIKKAJI J4.840B -CH$LINK: PUBCHEM SID:5675 +CH$LINK: PUBCHEM CID:448580 CH$LINK: INCHIKEY XUYPXLNMDZIRQH-LURJTMIESA-N CH$LINK: COMPTOX DTXSID00883214 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO002198.txt b/Keio_Univ/MSBNK-Keio_Univ-KO002198.txt index 23765d0160b..64d294970f9 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO002198.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO002198.txt @@ -15,7 +15,7 @@ CH$LINK: CAS 2018-61-3 CH$LINK: CHEBI CHEBI:16259 CH$LINK: KEGG C03519 CH$LINK: NIKKAJI J27.562J -CH$LINK: PUBCHEM SID:6328 +CH$LINK: PUBCHEM CID:74839 CH$LINK: INCHIKEY CBQJSKKFNMDLON-JTQLQIEISA-N CH$LINK: COMPTOX DTXSID20883539 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO002199.txt b/Keio_Univ/MSBNK-Keio_Univ-KO002199.txt index a8d09966662..add6d4de21b 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO002199.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO002199.txt @@ -15,7 +15,7 @@ CH$LINK: CAS 2018-61-3 CH$LINK: CHEBI CHEBI:16259 CH$LINK: KEGG C03519 CH$LINK: NIKKAJI J27.562J -CH$LINK: PUBCHEM SID:6328 +CH$LINK: PUBCHEM CID:74839 CH$LINK: INCHIKEY CBQJSKKFNMDLON-JTQLQIEISA-N CH$LINK: COMPTOX DTXSID20883539 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO002200.txt b/Keio_Univ/MSBNK-Keio_Univ-KO002200.txt index 4db06224804..7f59b62f945 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO002200.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO002200.txt @@ -15,7 +15,7 @@ CH$LINK: CAS 2018-61-3 CH$LINK: CHEBI CHEBI:16259 CH$LINK: KEGG C03519 CH$LINK: NIKKAJI J27.562J -CH$LINK: PUBCHEM SID:6328 +CH$LINK: PUBCHEM CID:74839 CH$LINK: INCHIKEY CBQJSKKFNMDLON-JTQLQIEISA-N CH$LINK: COMPTOX DTXSID20883539 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO002201.txt b/Keio_Univ/MSBNK-Keio_Univ-KO002201.txt index 6bc42f58155..ef631acc886 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO002201.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO002201.txt @@ -15,7 +15,7 @@ CH$LINK: CAS 2018-61-3 CH$LINK: CHEBI CHEBI:16259 CH$LINK: KEGG C03519 CH$LINK: NIKKAJI J27.562J -CH$LINK: PUBCHEM SID:6328 +CH$LINK: PUBCHEM CID:74839 CH$LINK: INCHIKEY CBQJSKKFNMDLON-JTQLQIEISA-N CH$LINK: COMPTOX DTXSID20883539 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO002202.txt b/Keio_Univ/MSBNK-Keio_Univ-KO002202.txt index 6814d7de3d3..b6352ba1c7d 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO002202.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO002202.txt @@ -15,7 +15,7 @@ CH$LINK: CAS 2018-61-3 CH$LINK: CHEBI CHEBI:16259 CH$LINK: KEGG C03519 CH$LINK: NIKKAJI J27.562J -CH$LINK: PUBCHEM SID:6328 +CH$LINK: PUBCHEM CID:74839 CH$LINK: INCHIKEY CBQJSKKFNMDLON-JTQLQIEISA-N CH$LINK: COMPTOX DTXSID20883539 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO002203.txt b/Keio_Univ/MSBNK-Keio_Univ-KO002203.txt index 0dfd7ca3ef3..e67dd03ca36 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO002203.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO002203.txt @@ -14,7 +14,7 @@ CH$IUPAC: InChI=1S/C10H14N2/c1-2-7-12-10(5-1)9-4-3-6-11-8-9/h3-4,6,8,10,12H,1-2, CH$LINK: CAS 494-52-0 CH$LINK: KEGG C11357 CH$LINK: NIKKAJI J3.284K -CH$LINK: PUBCHEM SID:13532 +CH$LINK: PUBCHEM CID:205586 CH$LINK: INCHIKEY MTXSIJUGVMTTMU-JTQLQIEISA-N CH$LINK: COMPTOX DTXSID9041607 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO002204.txt b/Keio_Univ/MSBNK-Keio_Univ-KO002204.txt index 3e001aff99c..6f7149fb22a 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO002204.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO002204.txt @@ -14,7 +14,7 @@ CH$IUPAC: InChI=1S/C10H14N2/c1-2-7-12-10(5-1)9-4-3-6-11-8-9/h3-4,6,8,10,12H,1-2, CH$LINK: CAS 494-52-0 CH$LINK: KEGG C11357 CH$LINK: NIKKAJI J3.284K -CH$LINK: PUBCHEM SID:13532 +CH$LINK: PUBCHEM CID:205586 CH$LINK: INCHIKEY MTXSIJUGVMTTMU-JTQLQIEISA-N CH$LINK: COMPTOX DTXSID9041607 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO002205.txt b/Keio_Univ/MSBNK-Keio_Univ-KO002205.txt index 23e95ae3ee8..0368f84e8e1 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO002205.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO002205.txt @@ -14,7 +14,7 @@ CH$IUPAC: InChI=1S/C10H14N2/c1-2-7-12-10(5-1)9-4-3-6-11-8-9/h3-4,6,8,10,12H,1-2, CH$LINK: CAS 494-52-0 CH$LINK: KEGG C11357 CH$LINK: NIKKAJI J3.284K -CH$LINK: PUBCHEM SID:13532 +CH$LINK: PUBCHEM CID:205586 CH$LINK: INCHIKEY MTXSIJUGVMTTMU-JTQLQIEISA-N CH$LINK: COMPTOX DTXSID9041607 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO002206.txt b/Keio_Univ/MSBNK-Keio_Univ-KO002206.txt index 8d0366682f5..7d74d085e1a 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO002206.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO002206.txt @@ -14,7 +14,7 @@ CH$IUPAC: InChI=1S/C10H14N2/c1-2-7-12-10(5-1)9-4-3-6-11-8-9/h3-4,6,8,10,12H,1-2, CH$LINK: CAS 494-52-0 CH$LINK: KEGG C11357 CH$LINK: NIKKAJI J3.284K -CH$LINK: PUBCHEM SID:13532 +CH$LINK: PUBCHEM CID:205586 CH$LINK: INCHIKEY MTXSIJUGVMTTMU-JTQLQIEISA-N CH$LINK: COMPTOX DTXSID9041607 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO002207.txt b/Keio_Univ/MSBNK-Keio_Univ-KO002207.txt index 44da3f22523..fb06668020c 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO002207.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO002207.txt @@ -14,7 +14,7 @@ CH$IUPAC: InChI=1S/C10H14N2/c1-2-7-12-10(5-1)9-4-3-6-11-8-9/h3-4,6,8,10,12H,1-2, CH$LINK: CAS 494-52-0 CH$LINK: KEGG C11357 CH$LINK: NIKKAJI J3.284K -CH$LINK: PUBCHEM SID:13532 +CH$LINK: PUBCHEM CID:205586 CH$LINK: INCHIKEY MTXSIJUGVMTTMU-JTQLQIEISA-N CH$LINK: COMPTOX DTXSID9041607 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO002208.txt b/Keio_Univ/MSBNK-Keio_Univ-KO002208.txt index 57087a37e3c..9b8e95ed45c 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO002208.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO002208.txt @@ -15,7 +15,7 @@ CH$IUPAC: InChI=1S/C13H17N3O/c1-10-12(14(2)3)13(17)16(15(10)4)11-8-6-5-7-9-11/h5 CH$LINK: CAS 58-15-1 CH$LINK: KEGG C07539 CH$LINK: NIKKAJI J2.331K -CH$LINK: PUBCHEM SID:9742 +CH$LINK: PUBCHEM CID:6009 CH$LINK: INCHIKEY RMMXTBMQSGEXHJ-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID7020504 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO002209.txt b/Keio_Univ/MSBNK-Keio_Univ-KO002209.txt index 56bda11af52..c2a1a17481a 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO002209.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO002209.txt @@ -15,7 +15,7 @@ CH$IUPAC: InChI=1S/C13H17N3O/c1-10-12(14(2)3)13(17)16(15(10)4)11-8-6-5-7-9-11/h5 CH$LINK: CAS 58-15-1 CH$LINK: KEGG C07539 CH$LINK: NIKKAJI J2.331K -CH$LINK: PUBCHEM SID:9742 +CH$LINK: PUBCHEM CID:6009 CH$LINK: INCHIKEY RMMXTBMQSGEXHJ-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID7020504 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO002210.txt b/Keio_Univ/MSBNK-Keio_Univ-KO002210.txt index 2ad0db2e73e..a582dc11d1f 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO002210.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO002210.txt @@ -15,7 +15,7 @@ CH$IUPAC: InChI=1S/C13H17N3O/c1-10-12(14(2)3)13(17)16(15(10)4)11-8-6-5-7-9-11/h5 CH$LINK: CAS 58-15-1 CH$LINK: KEGG C07539 CH$LINK: NIKKAJI J2.331K -CH$LINK: PUBCHEM SID:9742 +CH$LINK: PUBCHEM CID:6009 CH$LINK: INCHIKEY RMMXTBMQSGEXHJ-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID7020504 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO002211.txt b/Keio_Univ/MSBNK-Keio_Univ-KO002211.txt index 83dfc0d5deb..052de280284 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO002211.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO002211.txt @@ -15,7 +15,7 @@ CH$IUPAC: InChI=1S/C13H17N3O/c1-10-12(14(2)3)13(17)16(15(10)4)11-8-6-5-7-9-11/h5 CH$LINK: CAS 58-15-1 CH$LINK: KEGG C07539 CH$LINK: NIKKAJI J2.331K -CH$LINK: PUBCHEM SID:9742 +CH$LINK: PUBCHEM CID:6009 CH$LINK: INCHIKEY RMMXTBMQSGEXHJ-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID7020504 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO002212.txt b/Keio_Univ/MSBNK-Keio_Univ-KO002212.txt index 50f73f2faa9..7d2117fa344 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO002212.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO002212.txt @@ -15,7 +15,7 @@ CH$IUPAC: InChI=1S/C13H17N3O/c1-10-12(14(2)3)13(17)16(15(10)4)11-8-6-5-7-9-11/h5 CH$LINK: CAS 58-15-1 CH$LINK: KEGG C07539 CH$LINK: NIKKAJI J2.331K -CH$LINK: PUBCHEM SID:9742 +CH$LINK: PUBCHEM CID:6009 CH$LINK: INCHIKEY RMMXTBMQSGEXHJ-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID7020504 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO002213.txt b/Keio_Univ/MSBNK-Keio_Univ-KO002213.txt index 5ef57596e3a..a9ea270a48b 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO002213.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO002213.txt @@ -14,7 +14,7 @@ CH$IUPAC: InChI=1S/C8H11N5O3/c9-8-11-6-5(7(15)12-8)10-3-13(6)4-16-2-1-14/h3,14H, CH$LINK: CAS 59277-89-3 CH$LINK: KEGG C06810 CH$LINK: NIKKAJI J11.247J -CH$LINK: PUBCHEM SID:9029 +CH$LINK: PUBCHEM CID:135398513 CH$LINK: INCHIKEY MKUXAQIIEYXACX-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID1022556 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO002214.txt b/Keio_Univ/MSBNK-Keio_Univ-KO002214.txt index b056ebfb7cb..d0b94da1413 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO002214.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO002214.txt @@ -14,7 +14,7 @@ CH$IUPAC: InChI=1S/C8H11N5O3/c9-8-11-6-5(7(15)12-8)10-3-13(6)4-16-2-1-14/h3,14H, CH$LINK: CAS 59277-89-3 CH$LINK: KEGG C06810 CH$LINK: NIKKAJI J11.247J -CH$LINK: PUBCHEM SID:9029 +CH$LINK: PUBCHEM CID:135398513 CH$LINK: INCHIKEY MKUXAQIIEYXACX-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID1022556 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO002215.txt b/Keio_Univ/MSBNK-Keio_Univ-KO002215.txt index 3193fcd6ecb..235b57746da 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO002215.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO002215.txt @@ -14,7 +14,7 @@ CH$IUPAC: InChI=1S/C8H11N5O3/c9-8-11-6-5(7(15)12-8)10-3-13(6)4-16-2-1-14/h3,14H, CH$LINK: CAS 59277-89-3 CH$LINK: KEGG C06810 CH$LINK: NIKKAJI J11.247J -CH$LINK: PUBCHEM SID:9029 +CH$LINK: PUBCHEM CID:135398513 CH$LINK: INCHIKEY MKUXAQIIEYXACX-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID1022556 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO002216.txt b/Keio_Univ/MSBNK-Keio_Univ-KO002216.txt index 7ab9beb3980..b2bcba392d0 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO002216.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO002216.txt @@ -14,7 +14,7 @@ CH$IUPAC: InChI=1S/C8H11N5O3/c9-8-11-6-5(7(15)12-8)10-3-13(6)4-16-2-1-14/h3,14H, CH$LINK: CAS 59277-89-3 CH$LINK: KEGG C06810 CH$LINK: NIKKAJI J11.247J -CH$LINK: PUBCHEM SID:9029 +CH$LINK: PUBCHEM CID:135398513 CH$LINK: INCHIKEY MKUXAQIIEYXACX-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID1022556 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO002217.txt b/Keio_Univ/MSBNK-Keio_Univ-KO002217.txt index 9f61504bf41..75be381adc0 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO002217.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO002217.txt @@ -14,7 +14,7 @@ CH$IUPAC: InChI=1S/C8H11N5O3/c9-8-11-6-5(7(15)12-8)10-3-13(6)4-16-2-1-14/h3,14H, CH$LINK: CAS 59277-89-3 CH$LINK: KEGG C06810 CH$LINK: NIKKAJI J11.247J -CH$LINK: PUBCHEM SID:9029 +CH$LINK: PUBCHEM CID:135398513 CH$LINK: INCHIKEY MKUXAQIIEYXACX-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID1022556 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO002218.txt b/Keio_Univ/MSBNK-Keio_Univ-KO002218.txt index c55bc8959af..b96ed4602b7 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO002218.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO002218.txt @@ -15,7 +15,7 @@ CH$LINK: CAS 2497-02-1 CH$LINK: CHEBI CHEBI:16437 CH$LINK: KEGG C02997 CH$LINK: NIKKAJI J125.811G -CH$LINK: PUBCHEM SID:5906 +CH$LINK: PUBCHEM CID:75619 CH$LINK: INCHIKEY KBOJOGQFRVVWBH-ZETCQYMHSA-N AC$INSTRUMENT: API3000, Applied Biosystems AC$INSTRUMENT_TYPE: LC-ESI-QQ diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO002219.txt b/Keio_Univ/MSBNK-Keio_Univ-KO002219.txt index 3c89ef4f10f..4c4a4881bc0 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO002219.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO002219.txt @@ -15,7 +15,7 @@ CH$LINK: CAS 2497-02-1 CH$LINK: CHEBI CHEBI:16437 CH$LINK: KEGG C02997 CH$LINK: NIKKAJI J125.811G -CH$LINK: PUBCHEM SID:5906 +CH$LINK: PUBCHEM CID:75619 CH$LINK: INCHIKEY KBOJOGQFRVVWBH-ZETCQYMHSA-N AC$INSTRUMENT: API3000, Applied Biosystems AC$INSTRUMENT_TYPE: LC-ESI-QQ diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO002220.txt b/Keio_Univ/MSBNK-Keio_Univ-KO002220.txt index 685a1c88386..9613ddb3b83 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO002220.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO002220.txt @@ -15,7 +15,7 @@ CH$LINK: CAS 2497-02-1 CH$LINK: CHEBI CHEBI:16437 CH$LINK: KEGG C02997 CH$LINK: NIKKAJI J125.811G -CH$LINK: PUBCHEM SID:5906 +CH$LINK: PUBCHEM CID:75619 CH$LINK: INCHIKEY KBOJOGQFRVVWBH-ZETCQYMHSA-N AC$INSTRUMENT: API3000, Applied Biosystems AC$INSTRUMENT_TYPE: LC-ESI-QQ diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO002221.txt b/Keio_Univ/MSBNK-Keio_Univ-KO002221.txt index 30567986812..199d7e67bc6 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO002221.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO002221.txt @@ -15,7 +15,7 @@ CH$LINK: CAS 2497-02-1 CH$LINK: CHEBI CHEBI:16437 CH$LINK: KEGG C02997 CH$LINK: NIKKAJI J125.811G -CH$LINK: PUBCHEM SID:5906 +CH$LINK: PUBCHEM CID:75619 CH$LINK: INCHIKEY KBOJOGQFRVVWBH-ZETCQYMHSA-N AC$INSTRUMENT: API3000, Applied Biosystems AC$INSTRUMENT_TYPE: LC-ESI-QQ diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO002222.txt b/Keio_Univ/MSBNK-Keio_Univ-KO002222.txt index da11b908da9..12c498d51ea 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO002222.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO002222.txt @@ -15,7 +15,7 @@ CH$LINK: CAS 2497-02-1 CH$LINK: CHEBI CHEBI:16437 CH$LINK: KEGG C02997 CH$LINK: NIKKAJI J125.811G -CH$LINK: PUBCHEM SID:5906 +CH$LINK: PUBCHEM CID:75619 CH$LINK: INCHIKEY KBOJOGQFRVVWBH-ZETCQYMHSA-N AC$INSTRUMENT: API3000, Applied Biosystems AC$INSTRUMENT_TYPE: LC-ESI-QQ diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO002228.txt b/Keio_Univ/MSBNK-Keio_Univ-KO002228.txt index ce65c73b657..60459f3bf62 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO002228.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO002228.txt @@ -18,7 +18,7 @@ CH$LINK: HMDB HMDB00650 CH$LINK: KEGG C02261 CH$LINK: LIPIDMAPS LMFA01100043 CH$LINK: NIKKAJI J1.815E -CH$LINK: PUBCHEM SID:5323 +CH$LINK: PUBCHEM CID:439691 CH$LINK: INCHIKEY QWCKQJZIFLGMSD-GSVOUGTGSA-N AC$INSTRUMENT: API3000, Applied Biosystems AC$INSTRUMENT_TYPE: LC-ESI-QQ diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO002229.txt b/Keio_Univ/MSBNK-Keio_Univ-KO002229.txt index 35d80af8dd9..a4c06f3e533 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO002229.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO002229.txt @@ -18,7 +18,7 @@ CH$LINK: HMDB HMDB00650 CH$LINK: KEGG C02261 CH$LINK: LIPIDMAPS LMFA01100043 CH$LINK: NIKKAJI J1.815E -CH$LINK: PUBCHEM SID:5323 +CH$LINK: PUBCHEM CID:439691 CH$LINK: INCHIKEY QWCKQJZIFLGMSD-GSVOUGTGSA-N AC$INSTRUMENT: API3000, Applied Biosystems AC$INSTRUMENT_TYPE: LC-ESI-QQ diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO002230.txt b/Keio_Univ/MSBNK-Keio_Univ-KO002230.txt index 253a6bdd53e..7e81e543548 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO002230.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO002230.txt @@ -18,7 +18,7 @@ CH$LINK: HMDB HMDB00650 CH$LINK: KEGG C02261 CH$LINK: LIPIDMAPS LMFA01100043 CH$LINK: NIKKAJI J1.815E -CH$LINK: PUBCHEM SID:5323 +CH$LINK: PUBCHEM CID:439691 CH$LINK: INCHIKEY QWCKQJZIFLGMSD-GSVOUGTGSA-N AC$INSTRUMENT: API3000, Applied Biosystems AC$INSTRUMENT_TYPE: LC-ESI-QQ diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO002231.txt b/Keio_Univ/MSBNK-Keio_Univ-KO002231.txt index 85a4605e7e3..719a81489fd 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO002231.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO002231.txt @@ -18,7 +18,7 @@ CH$LINK: HMDB HMDB00650 CH$LINK: KEGG C02261 CH$LINK: LIPIDMAPS LMFA01100043 CH$LINK: NIKKAJI J1.815E -CH$LINK: PUBCHEM SID:5323 +CH$LINK: PUBCHEM CID:439691 CH$LINK: INCHIKEY QWCKQJZIFLGMSD-GSVOUGTGSA-N AC$INSTRUMENT: API3000, Applied Biosystems AC$INSTRUMENT_TYPE: LC-ESI-QQ diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO002232.txt b/Keio_Univ/MSBNK-Keio_Univ-KO002232.txt index e114e93fe13..48beaa9d177 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO002232.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO002232.txt @@ -18,7 +18,7 @@ CH$LINK: HMDB HMDB00650 CH$LINK: KEGG C02261 CH$LINK: LIPIDMAPS LMFA01100043 CH$LINK: NIKKAJI J1.815E -CH$LINK: PUBCHEM SID:5323 +CH$LINK: PUBCHEM CID:439691 CH$LINK: INCHIKEY QWCKQJZIFLGMSD-GSVOUGTGSA-N AC$INSTRUMENT: API3000, Applied Biosystems AC$INSTRUMENT_TYPE: LC-ESI-QQ diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO002233.txt b/Keio_Univ/MSBNK-Keio_Univ-KO002233.txt index 538473aa5ed..de116ca2629 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO002233.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO002233.txt @@ -12,7 +12,7 @@ CH$EXACT_MASS: 153.09021 CH$SMILES: CC(=O)NCCC1=CN=CN1 CH$IUPAC: InChI=1S/C7H11N3O/c1-6(11)9-3-2-7-4-8-5-10-7/h4-5H,2-3H2,1H3,(H,8,10)(H,9,11) CH$LINK: KEGG C05135 -CH$LINK: PUBCHEM SID:7555 +CH$LINK: PUBCHEM CID:69602 CH$LINK: INCHIKEY XJWPISBUKWZALE-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID40217670 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO002234.txt b/Keio_Univ/MSBNK-Keio_Univ-KO002234.txt index 74d37c8c097..215b2dcef56 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO002234.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO002234.txt @@ -12,7 +12,7 @@ CH$EXACT_MASS: 153.09021 CH$SMILES: CC(=O)NCCC1=CN=CN1 CH$IUPAC: InChI=1S/C7H11N3O/c1-6(11)9-3-2-7-4-8-5-10-7/h4-5H,2-3H2,1H3,(H,8,10)(H,9,11) CH$LINK: KEGG C05135 -CH$LINK: PUBCHEM SID:7555 +CH$LINK: PUBCHEM CID:69602 CH$LINK: INCHIKEY XJWPISBUKWZALE-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID40217670 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO002235.txt b/Keio_Univ/MSBNK-Keio_Univ-KO002235.txt index 4bd1f8ae0d0..33b72b8e5db 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO002235.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO002235.txt @@ -12,7 +12,7 @@ CH$EXACT_MASS: 153.09021 CH$SMILES: CC(=O)NCCC1=CN=CN1 CH$IUPAC: InChI=1S/C7H11N3O/c1-6(11)9-3-2-7-4-8-5-10-7/h4-5H,2-3H2,1H3,(H,8,10)(H,9,11) CH$LINK: KEGG C05135 -CH$LINK: PUBCHEM SID:7555 +CH$LINK: PUBCHEM CID:69602 CH$LINK: INCHIKEY XJWPISBUKWZALE-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID40217670 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO002236.txt b/Keio_Univ/MSBNK-Keio_Univ-KO002236.txt index 9af99844f95..cf3ad425e7a 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO002236.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO002236.txt @@ -12,7 +12,7 @@ CH$EXACT_MASS: 153.09021 CH$SMILES: CC(=O)NCCC1=CN=CN1 CH$IUPAC: InChI=1S/C7H11N3O/c1-6(11)9-3-2-7-4-8-5-10-7/h4-5H,2-3H2,1H3,(H,8,10)(H,9,11) CH$LINK: KEGG C05135 -CH$LINK: PUBCHEM SID:7555 +CH$LINK: PUBCHEM CID:69602 CH$LINK: INCHIKEY XJWPISBUKWZALE-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID40217670 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO002237.txt b/Keio_Univ/MSBNK-Keio_Univ-KO002237.txt index bf42863fb99..ee0f1ae5711 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO002237.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO002237.txt @@ -12,7 +12,7 @@ CH$EXACT_MASS: 153.09021 CH$SMILES: CC(=O)NCCC1=CN=CN1 CH$IUPAC: InChI=1S/C7H11N3O/c1-6(11)9-3-2-7-4-8-5-10-7/h4-5H,2-3H2,1H3,(H,8,10)(H,9,11) CH$LINK: KEGG C05135 -CH$LINK: PUBCHEM SID:7555 +CH$LINK: PUBCHEM CID:69602 CH$LINK: INCHIKEY XJWPISBUKWZALE-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID40217670 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO002253.txt b/Keio_Univ/MSBNK-Keio_Univ-KO002253.txt index a99b437dec5..1dc2e6b8ce7 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO002253.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO002253.txt @@ -15,7 +15,7 @@ CH$LINK: CAS 306-60-5 CH$LINK: CHEBI CHEBI:17431 CH$LINK: KEGG C00179 CH$LINK: NIKKAJI J11.608D -CH$LINK: PUBCHEM SID:3479 +CH$LINK: PUBCHEM CID:199 CH$LINK: INCHIKEY QYPPJABKJHAVHS-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID0040961 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO002254.txt b/Keio_Univ/MSBNK-Keio_Univ-KO002254.txt index 005b62f0791..4daaf3f3e28 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO002254.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO002254.txt @@ -15,7 +15,7 @@ CH$LINK: CAS 306-60-5 CH$LINK: CHEBI CHEBI:17431 CH$LINK: KEGG C00179 CH$LINK: NIKKAJI J11.608D -CH$LINK: PUBCHEM SID:3479 +CH$LINK: PUBCHEM CID:199 CH$LINK: INCHIKEY QYPPJABKJHAVHS-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID0040961 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO002255.txt b/Keio_Univ/MSBNK-Keio_Univ-KO002255.txt index f10b600f0f1..34f60e0b3c2 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO002255.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO002255.txt @@ -15,7 +15,7 @@ CH$LINK: CAS 306-60-5 CH$LINK: CHEBI CHEBI:17431 CH$LINK: KEGG C00179 CH$LINK: NIKKAJI J11.608D -CH$LINK: PUBCHEM SID:3479 +CH$LINK: PUBCHEM CID:199 CH$LINK: INCHIKEY QYPPJABKJHAVHS-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID0040961 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO002256.txt b/Keio_Univ/MSBNK-Keio_Univ-KO002256.txt index f9e9bdf801a..c6543c3b11d 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO002256.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO002256.txt @@ -15,7 +15,7 @@ CH$LINK: CAS 306-60-5 CH$LINK: CHEBI CHEBI:17431 CH$LINK: KEGG C00179 CH$LINK: NIKKAJI J11.608D -CH$LINK: PUBCHEM SID:3479 +CH$LINK: PUBCHEM CID:199 CH$LINK: INCHIKEY QYPPJABKJHAVHS-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID0040961 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO002257.txt b/Keio_Univ/MSBNK-Keio_Univ-KO002257.txt index c59cb16c418..e6bfb791525 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO002257.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO002257.txt @@ -15,7 +15,7 @@ CH$LINK: CAS 306-60-5 CH$LINK: CHEBI CHEBI:17431 CH$LINK: KEGG C00179 CH$LINK: NIKKAJI J11.608D -CH$LINK: PUBCHEM SID:3479 +CH$LINK: PUBCHEM CID:199 CH$LINK: INCHIKEY QYPPJABKJHAVHS-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID0040961 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO002258.txt b/Keio_Univ/MSBNK-Keio_Univ-KO002258.txt index 939a11bdaaf..50a75524bba 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO002258.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO002258.txt @@ -20,7 +20,7 @@ CH$LINK: CAS 542-32-5 CH$LINK: CHEBI CHEBI:17082 CH$LINK: KEGG C00956 CH$LINK: NIKKAJI J38.125J -CH$LINK: PUBCHEM SID:4207 +CH$LINK: PUBCHEM CID:92136 CH$LINK: INCHIKEY OYIFNHCXNCRBQI-BYPYZUCNSA-N AC$INSTRUMENT: API3000, Applied Biosystems AC$INSTRUMENT_TYPE: LC-ESI-QQ diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO002259.txt b/Keio_Univ/MSBNK-Keio_Univ-KO002259.txt index e8a96be2713..74ea9f39672 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO002259.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO002259.txt @@ -20,7 +20,7 @@ CH$LINK: CAS 542-32-5 CH$LINK: CHEBI CHEBI:17082 CH$LINK: KEGG C00956 CH$LINK: NIKKAJI J38.125J -CH$LINK: PUBCHEM SID:4207 +CH$LINK: PUBCHEM CID:92136 CH$LINK: INCHIKEY OYIFNHCXNCRBQI-BYPYZUCNSA-N AC$INSTRUMENT: API3000, Applied Biosystems AC$INSTRUMENT_TYPE: LC-ESI-QQ diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO002260.txt b/Keio_Univ/MSBNK-Keio_Univ-KO002260.txt index 6906616e3d1..c6a3f707043 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO002260.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO002260.txt @@ -20,7 +20,7 @@ CH$LINK: CAS 542-32-5 CH$LINK: CHEBI CHEBI:17082 CH$LINK: KEGG C00956 CH$LINK: NIKKAJI J38.125J -CH$LINK: PUBCHEM SID:4207 +CH$LINK: PUBCHEM CID:92136 CH$LINK: INCHIKEY OYIFNHCXNCRBQI-BYPYZUCNSA-N AC$INSTRUMENT: API3000, Applied Biosystems AC$INSTRUMENT_TYPE: LC-ESI-QQ diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO002261.txt b/Keio_Univ/MSBNK-Keio_Univ-KO002261.txt index 1c653b2579e..21c514e3992 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO002261.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO002261.txt @@ -20,7 +20,7 @@ CH$LINK: CAS 542-32-5 CH$LINK: CHEBI CHEBI:17082 CH$LINK: KEGG C00956 CH$LINK: NIKKAJI J38.125J -CH$LINK: PUBCHEM SID:4207 +CH$LINK: PUBCHEM CID:92136 CH$LINK: INCHIKEY OYIFNHCXNCRBQI-BYPYZUCNSA-N AC$INSTRUMENT: API3000, Applied Biosystems AC$INSTRUMENT_TYPE: LC-ESI-QQ diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO002262.txt b/Keio_Univ/MSBNK-Keio_Univ-KO002262.txt index 097a199da85..0178bf65c1c 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO002262.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO002262.txt @@ -20,7 +20,7 @@ CH$LINK: CAS 542-32-5 CH$LINK: CHEBI CHEBI:17082 CH$LINK: KEGG C00956 CH$LINK: NIKKAJI J38.125J -CH$LINK: PUBCHEM SID:4207 +CH$LINK: PUBCHEM CID:92136 CH$LINK: INCHIKEY OYIFNHCXNCRBQI-BYPYZUCNSA-N AC$INSTRUMENT: API3000, Applied Biosystems AC$INSTRUMENT_TYPE: LC-ESI-QQ diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO002263.txt b/Keio_Univ/MSBNK-Keio_Univ-KO002263.txt index f71cdfa0b06..21d62f4df1b 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO002263.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO002263.txt @@ -13,7 +13,7 @@ CH$IUPAC: InChI=1S/C12H28N4O/c1-12(17)16-11-5-10-15-8-3-2-7-14-9-4-6-13/h14-15H, CH$LINK: CAS 77928-70-2 CH$LINK: CHEBI CHEBI:17312 CH$LINK: KEGG C02567 -CH$LINK: PUBCHEM SID:5564 +CH$LINK: PUBCHEM CID:916 CH$LINK: INCHIKEY GUNURVWAJRRUAV-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID40180274 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO002264.txt b/Keio_Univ/MSBNK-Keio_Univ-KO002264.txt index fa228c32b85..c66a6d9e579 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO002264.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO002264.txt @@ -13,7 +13,7 @@ CH$IUPAC: InChI=1S/C12H28N4O/c1-12(17)16-11-5-10-15-8-3-2-7-14-9-4-6-13/h14-15H, CH$LINK: CAS 77928-70-2 CH$LINK: CHEBI CHEBI:17312 CH$LINK: KEGG C02567 -CH$LINK: PUBCHEM SID:5564 +CH$LINK: PUBCHEM CID:916 CH$LINK: INCHIKEY GUNURVWAJRRUAV-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID40180274 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO002265.txt b/Keio_Univ/MSBNK-Keio_Univ-KO002265.txt index 3b881224269..59bfb7ddeb9 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO002265.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO002265.txt @@ -13,7 +13,7 @@ CH$IUPAC: InChI=1S/C12H28N4O/c1-12(17)16-11-5-10-15-8-3-2-7-14-9-4-6-13/h14-15H, CH$LINK: CAS 77928-70-2 CH$LINK: CHEBI CHEBI:17312 CH$LINK: KEGG C02567 -CH$LINK: PUBCHEM SID:5564 +CH$LINK: PUBCHEM CID:916 CH$LINK: INCHIKEY GUNURVWAJRRUAV-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID40180274 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO002266.txt b/Keio_Univ/MSBNK-Keio_Univ-KO002266.txt index 7f7421bc161..00cd0878e67 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO002266.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO002266.txt @@ -13,7 +13,7 @@ CH$IUPAC: InChI=1S/C12H28N4O/c1-12(17)16-11-5-10-15-8-3-2-7-14-9-4-6-13/h14-15H, CH$LINK: CAS 77928-70-2 CH$LINK: CHEBI CHEBI:17312 CH$LINK: KEGG C02567 -CH$LINK: PUBCHEM SID:5564 +CH$LINK: PUBCHEM CID:916 CH$LINK: INCHIKEY GUNURVWAJRRUAV-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID40180274 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO002267.txt b/Keio_Univ/MSBNK-Keio_Univ-KO002267.txt index 20a302323ed..1941b0b253b 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO002267.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO002267.txt @@ -13,7 +13,7 @@ CH$IUPAC: InChI=1S/C12H28N4O/c1-12(17)16-11-5-10-15-8-3-2-7-14-9-4-6-13/h14-15H, CH$LINK: CAS 77928-70-2 CH$LINK: CHEBI CHEBI:17312 CH$LINK: KEGG C02567 -CH$LINK: PUBCHEM SID:5564 +CH$LINK: PUBCHEM CID:916 CH$LINK: INCHIKEY GUNURVWAJRRUAV-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID40180274 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO002268.txt b/Keio_Univ/MSBNK-Keio_Univ-KO002268.txt index 7edbf7dd789..d96fb64a6d0 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO002268.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO002268.txt @@ -12,7 +12,7 @@ CH$SMILES: NCCCNCCCCNC(C)=O CH$IUPAC: InChI=1S/C9H21N3O/c1-9(13)12-8-3-2-6-11-7-4-5-10/h11H,2-8,10H2,1H3,(H,12,13) CH$LINK: CAS 34450-15-2 CH$LINK: KEGG C01029 -CH$LINK: PUBCHEM SID:4273 +CH$LINK: PUBCHEM CID:123689 CH$LINK: INCHIKEY FONIWJIDLJEJTL-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID60158637 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO002269.txt b/Keio_Univ/MSBNK-Keio_Univ-KO002269.txt index 34e2e1ceecd..f95c6ce3068 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO002269.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO002269.txt @@ -12,7 +12,7 @@ CH$SMILES: NCCCNCCCCNC(C)=O CH$IUPAC: InChI=1S/C9H21N3O/c1-9(13)12-8-3-2-6-11-7-4-5-10/h11H,2-8,10H2,1H3,(H,12,13) CH$LINK: CAS 34450-15-2 CH$LINK: KEGG C01029 -CH$LINK: PUBCHEM SID:4273 +CH$LINK: PUBCHEM CID:123689 CH$LINK: INCHIKEY FONIWJIDLJEJTL-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID60158637 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO002270.txt b/Keio_Univ/MSBNK-Keio_Univ-KO002270.txt index 54ddb741817..6eb1602bb37 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO002270.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO002270.txt @@ -12,7 +12,7 @@ CH$SMILES: NCCCNCCCCNC(C)=O CH$IUPAC: InChI=1S/C9H21N3O/c1-9(13)12-8-3-2-6-11-7-4-5-10/h11H,2-8,10H2,1H3,(H,12,13) CH$LINK: CAS 34450-15-2 CH$LINK: KEGG C01029 -CH$LINK: PUBCHEM SID:4273 +CH$LINK: PUBCHEM CID:123689 CH$LINK: INCHIKEY FONIWJIDLJEJTL-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID60158637 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO002271.txt b/Keio_Univ/MSBNK-Keio_Univ-KO002271.txt index 65a1375ceca..862a6ecd6bf 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO002271.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO002271.txt @@ -12,7 +12,7 @@ CH$SMILES: NCCCNCCCCNC(C)=O CH$IUPAC: InChI=1S/C9H21N3O/c1-9(13)12-8-3-2-6-11-7-4-5-10/h11H,2-8,10H2,1H3,(H,12,13) CH$LINK: CAS 34450-15-2 CH$LINK: KEGG C01029 -CH$LINK: PUBCHEM SID:4273 +CH$LINK: PUBCHEM CID:123689 CH$LINK: INCHIKEY FONIWJIDLJEJTL-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID60158637 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO002272.txt b/Keio_Univ/MSBNK-Keio_Univ-KO002272.txt index 5525af3179b..0417f78eee9 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO002272.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO002272.txt @@ -12,7 +12,7 @@ CH$SMILES: NCCCNCCCCNC(C)=O CH$IUPAC: InChI=1S/C9H21N3O/c1-9(13)12-8-3-2-6-11-7-4-5-10/h11H,2-8,10H2,1H3,(H,12,13) CH$LINK: CAS 34450-15-2 CH$LINK: KEGG C01029 -CH$LINK: PUBCHEM SID:4273 +CH$LINK: PUBCHEM CID:123689 CH$LINK: INCHIKEY FONIWJIDLJEJTL-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID60158637 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO002273.txt b/Keio_Univ/MSBNK-Keio_Univ-KO002273.txt index 5fb723fe5db..be13a1f6fa1 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO002273.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO002273.txt @@ -18,7 +18,7 @@ CH$LINK: CHEBI CHEBI:18112 CH$LINK: CHEMPDB 2AF CH$LINK: KEGG C01987 CH$LINK: NIKKAJI J3.955A -CH$LINK: PUBCHEM SID:5084 +CH$LINK: PUBCHEM CID:5801 CH$LINK: INCHIKEY CDAWCLOXVUBKRW-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID8024498 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO002274.txt b/Keio_Univ/MSBNK-Keio_Univ-KO002274.txt index 1a491fbe86a..85706b8fe60 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO002274.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO002274.txt @@ -18,7 +18,7 @@ CH$LINK: CHEBI CHEBI:18112 CH$LINK: CHEMPDB 2AF CH$LINK: KEGG C01987 CH$LINK: NIKKAJI J3.955A -CH$LINK: PUBCHEM SID:5084 +CH$LINK: PUBCHEM CID:5801 CH$LINK: INCHIKEY CDAWCLOXVUBKRW-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID8024498 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO002275.txt b/Keio_Univ/MSBNK-Keio_Univ-KO002275.txt index 6d7babbe1e2..2abd4f0a63d 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO002275.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO002275.txt @@ -18,7 +18,7 @@ CH$LINK: CHEBI CHEBI:18112 CH$LINK: CHEMPDB 2AF CH$LINK: KEGG C01987 CH$LINK: NIKKAJI J3.955A -CH$LINK: PUBCHEM SID:5084 +CH$LINK: PUBCHEM CID:5801 CH$LINK: INCHIKEY CDAWCLOXVUBKRW-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID8024498 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO002276.txt b/Keio_Univ/MSBNK-Keio_Univ-KO002276.txt index 91503924e37..873c8bdce92 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO002276.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO002276.txt @@ -18,7 +18,7 @@ CH$LINK: CHEBI CHEBI:18112 CH$LINK: CHEMPDB 2AF CH$LINK: KEGG C01987 CH$LINK: NIKKAJI J3.955A -CH$LINK: PUBCHEM SID:5084 +CH$LINK: PUBCHEM CID:5801 CH$LINK: INCHIKEY CDAWCLOXVUBKRW-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID8024498 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO002277.txt b/Keio_Univ/MSBNK-Keio_Univ-KO002277.txt index a77d08249b6..6170402b4df 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO002277.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO002277.txt @@ -18,7 +18,7 @@ CH$LINK: CHEBI CHEBI:18112 CH$LINK: CHEMPDB 2AF CH$LINK: KEGG C01987 CH$LINK: NIKKAJI J3.955A -CH$LINK: PUBCHEM SID:5084 +CH$LINK: PUBCHEM CID:5801 CH$LINK: INCHIKEY CDAWCLOXVUBKRW-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID8024498 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO002278.txt b/Keio_Univ/MSBNK-Keio_Univ-KO002278.txt index 2b4dd14c71e..ba6508c73ac 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO002278.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO002278.txt @@ -13,7 +13,7 @@ CH$SMILES: OC[C@@H](O1)[C@@H](O)[C@H](O)[C@@H](NC(C)=O)[C@H]1OP(O)(O)=O CH$IUPAC: InChI=1S/C8H16NO9P/c1-3(11)9-5-7(13)6(12)4(2-10)17-8(5)18-19(14,15)16/h4-8,10,12-13H,2H2,1H3,(H,9,11)(H2,14,15,16)/t4-,5-,6-,7-,8-/m1/s1 CH$LINK: CHEBI CHEBI:16446 CH$LINK: KEGG C04501 -CH$LINK: PUBCHEM SID:7115 +CH$LINK: PUBCHEM CID:440364 CH$LINK: INCHIKEY FZLJPEPAYPUMMR-FMDGEEDCSA-N CH$LINK: COMPTOX DTXSID00179902 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO002279.txt b/Keio_Univ/MSBNK-Keio_Univ-KO002279.txt index f3e4e3b4dca..eddd8006f7b 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO002279.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO002279.txt @@ -13,7 +13,7 @@ CH$SMILES: OC[C@@H](O1)[C@@H](O)[C@H](O)[C@@H](NC(C)=O)[C@H]1OP(O)(O)=O CH$IUPAC: InChI=1S/C8H16NO9P/c1-3(11)9-5-7(13)6(12)4(2-10)17-8(5)18-19(14,15)16/h4-8,10,12-13H,2H2,1H3,(H,9,11)(H2,14,15,16)/t4-,5-,6-,7-,8-/m1/s1 CH$LINK: CHEBI CHEBI:16446 CH$LINK: KEGG C04501 -CH$LINK: PUBCHEM SID:7115 +CH$LINK: PUBCHEM CID:440364 CH$LINK: INCHIKEY FZLJPEPAYPUMMR-FMDGEEDCSA-N CH$LINK: COMPTOX DTXSID00179902 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO002280.txt b/Keio_Univ/MSBNK-Keio_Univ-KO002280.txt index 42f86230e2c..1b1df239e4a 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO002280.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO002280.txt @@ -13,7 +13,7 @@ CH$SMILES: OC[C@@H](O1)[C@@H](O)[C@H](O)[C@@H](NC(C)=O)[C@H]1OP(O)(O)=O CH$IUPAC: InChI=1S/C8H16NO9P/c1-3(11)9-5-7(13)6(12)4(2-10)17-8(5)18-19(14,15)16/h4-8,10,12-13H,2H2,1H3,(H,9,11)(H2,14,15,16)/t4-,5-,6-,7-,8-/m1/s1 CH$LINK: CHEBI CHEBI:16446 CH$LINK: KEGG C04501 -CH$LINK: PUBCHEM SID:7115 +CH$LINK: PUBCHEM CID:440364 CH$LINK: INCHIKEY FZLJPEPAYPUMMR-FMDGEEDCSA-N CH$LINK: COMPTOX DTXSID00179902 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO002281.txt b/Keio_Univ/MSBNK-Keio_Univ-KO002281.txt index b7c2881f5f8..a2ee882568c 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO002281.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO002281.txt @@ -13,7 +13,7 @@ CH$SMILES: OC[C@@H](O1)[C@@H](O)[C@H](O)[C@@H](NC(C)=O)[C@H]1OP(O)(O)=O CH$IUPAC: InChI=1S/C8H16NO9P/c1-3(11)9-5-7(13)6(12)4(2-10)17-8(5)18-19(14,15)16/h4-8,10,12-13H,2H2,1H3,(H,9,11)(H2,14,15,16)/t4-,5-,6-,7-,8-/m1/s1 CH$LINK: CHEBI CHEBI:16446 CH$LINK: KEGG C04501 -CH$LINK: PUBCHEM SID:7115 +CH$LINK: PUBCHEM CID:440364 CH$LINK: INCHIKEY FZLJPEPAYPUMMR-FMDGEEDCSA-N CH$LINK: COMPTOX DTXSID00179902 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO002282.txt b/Keio_Univ/MSBNK-Keio_Univ-KO002282.txt index ea0c082a483..41dc19c7d1d 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO002282.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO002282.txt @@ -13,7 +13,7 @@ CH$SMILES: OC[C@@H](O1)[C@@H](O)[C@H](O)[C@@H](NC(C)=O)[C@H]1OP(O)(O)=O CH$IUPAC: InChI=1S/C8H16NO9P/c1-3(11)9-5-7(13)6(12)4(2-10)17-8(5)18-19(14,15)16/h4-8,10,12-13H,2H2,1H3,(H,9,11)(H2,14,15,16)/t4-,5-,6-,7-,8-/m1/s1 CH$LINK: CHEBI CHEBI:16446 CH$LINK: KEGG C04501 -CH$LINK: PUBCHEM SID:7115 +CH$LINK: PUBCHEM CID:440364 CH$LINK: INCHIKEY FZLJPEPAYPUMMR-FMDGEEDCSA-N CH$LINK: COMPTOX DTXSID00179902 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO002283.txt b/Keio_Univ/MSBNK-Keio_Univ-KO002283.txt index b99de26c6a5..9c76c9d339b 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO002283.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO002283.txt @@ -14,7 +14,7 @@ CH$IUPAC: InChI=1S/C13H14N2/c14-13-9-5-1-3-7-11(9)15-12-8-4-2-6-10(12)13/h1,3,5, CH$LINK: CAS 321-64-2 CH$LINK: KEGG C01453 CH$LINK: NIKKAJI J5.670G -CH$LINK: PUBCHEM SID:4630 +CH$LINK: PUBCHEM CID:1935 CH$LINK: INCHIKEY YLJREFDVOIBQDA-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID1037272 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO002284.txt b/Keio_Univ/MSBNK-Keio_Univ-KO002284.txt index 96c8a4b1d8f..9fdafebeb47 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO002284.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO002284.txt @@ -14,7 +14,7 @@ CH$IUPAC: InChI=1S/C13H14N2/c14-13-9-5-1-3-7-11(9)15-12-8-4-2-6-10(12)13/h1,3,5, CH$LINK: CAS 321-64-2 CH$LINK: KEGG C01453 CH$LINK: NIKKAJI J5.670G -CH$LINK: PUBCHEM SID:4630 +CH$LINK: PUBCHEM CID:1935 CH$LINK: INCHIKEY YLJREFDVOIBQDA-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID1037272 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO002285.txt b/Keio_Univ/MSBNK-Keio_Univ-KO002285.txt index d4c5d31d4ed..517400103ef 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO002285.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO002285.txt @@ -14,7 +14,7 @@ CH$IUPAC: InChI=1S/C13H14N2/c14-13-9-5-1-3-7-11(9)15-12-8-4-2-6-10(12)13/h1,3,5, CH$LINK: CAS 321-64-2 CH$LINK: KEGG C01453 CH$LINK: NIKKAJI J5.670G -CH$LINK: PUBCHEM SID:4630 +CH$LINK: PUBCHEM CID:1935 CH$LINK: INCHIKEY YLJREFDVOIBQDA-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID1037272 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO002286.txt b/Keio_Univ/MSBNK-Keio_Univ-KO002286.txt index 375a21938fd..0e40394c590 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO002286.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO002286.txt @@ -14,7 +14,7 @@ CH$IUPAC: InChI=1S/C13H14N2/c14-13-9-5-1-3-7-11(9)15-12-8-4-2-6-10(12)13/h1,3,5, CH$LINK: CAS 321-64-2 CH$LINK: KEGG C01453 CH$LINK: NIKKAJI J5.670G -CH$LINK: PUBCHEM SID:4630 +CH$LINK: PUBCHEM CID:1935 CH$LINK: INCHIKEY YLJREFDVOIBQDA-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID1037272 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO002287.txt b/Keio_Univ/MSBNK-Keio_Univ-KO002287.txt index 8b71d26b05d..1d7331595e4 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO002287.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO002287.txt @@ -14,7 +14,7 @@ CH$IUPAC: InChI=1S/C13H14N2/c14-13-9-5-1-3-7-11(9)15-12-8-4-2-6-10(12)13/h1,3,5, CH$LINK: CAS 321-64-2 CH$LINK: KEGG C01453 CH$LINK: NIKKAJI J5.670G -CH$LINK: PUBCHEM SID:4630 +CH$LINK: PUBCHEM CID:1935 CH$LINK: INCHIKEY YLJREFDVOIBQDA-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID1037272 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO002288.txt b/Keio_Univ/MSBNK-Keio_Univ-KO002288.txt index b1f367e4993..e26a9b408ba 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO002288.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO002288.txt @@ -13,7 +13,7 @@ CH$EXACT_MASS: 217.14264 CH$SMILES: NCCCC[C@@H](C(O)=O)NC(=O)CCN CH$IUPAC: InChI=1S/C9H19N3O3/c10-5-2-1-3-7(9(14)15)12-8(13)4-6-11/h7H,1-6,10-11H2,(H,12,13)(H,14,15)/t7-/m0/s1 CH$LINK: KEGG C05341 -CH$LINK: PUBCHEM SID:7719 +CH$LINK: PUBCHEM CID:440638 CH$LINK: INCHIKEY PLDCWKCPEXNWJH-ZETCQYMHSA-N AC$INSTRUMENT: API3000, Applied Biosystems AC$INSTRUMENT_TYPE: LC-ESI-QQ diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO002289.txt b/Keio_Univ/MSBNK-Keio_Univ-KO002289.txt index 5bff6f388ef..b1d04006350 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO002289.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO002289.txt @@ -13,7 +13,7 @@ CH$EXACT_MASS: 217.14264 CH$SMILES: NCCCC[C@@H](C(O)=O)NC(=O)CCN CH$IUPAC: InChI=1S/C9H19N3O3/c10-5-2-1-3-7(9(14)15)12-8(13)4-6-11/h7H,1-6,10-11H2,(H,12,13)(H,14,15)/t7-/m0/s1 CH$LINK: KEGG C05341 -CH$LINK: PUBCHEM SID:7719 +CH$LINK: PUBCHEM CID:440638 CH$LINK: INCHIKEY PLDCWKCPEXNWJH-ZETCQYMHSA-N AC$INSTRUMENT: API3000, Applied Biosystems AC$INSTRUMENT_TYPE: LC-ESI-QQ diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO002290.txt b/Keio_Univ/MSBNK-Keio_Univ-KO002290.txt index 6453a515cca..cefa99cb8e2 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO002290.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO002290.txt @@ -13,7 +13,7 @@ CH$EXACT_MASS: 217.14264 CH$SMILES: NCCCC[C@@H](C(O)=O)NC(=O)CCN CH$IUPAC: InChI=1S/C9H19N3O3/c10-5-2-1-3-7(9(14)15)12-8(13)4-6-11/h7H,1-6,10-11H2,(H,12,13)(H,14,15)/t7-/m0/s1 CH$LINK: KEGG C05341 -CH$LINK: PUBCHEM SID:7719 +CH$LINK: PUBCHEM CID:440638 CH$LINK: INCHIKEY PLDCWKCPEXNWJH-ZETCQYMHSA-N AC$INSTRUMENT: API3000, Applied Biosystems AC$INSTRUMENT_TYPE: LC-ESI-QQ diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO002291.txt b/Keio_Univ/MSBNK-Keio_Univ-KO002291.txt index ace6507721d..6a3c6a59829 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO002291.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO002291.txt @@ -13,7 +13,7 @@ CH$EXACT_MASS: 217.14264 CH$SMILES: NCCCC[C@@H](C(O)=O)NC(=O)CCN CH$IUPAC: InChI=1S/C9H19N3O3/c10-5-2-1-3-7(9(14)15)12-8(13)4-6-11/h7H,1-6,10-11H2,(H,12,13)(H,14,15)/t7-/m0/s1 CH$LINK: KEGG C05341 -CH$LINK: PUBCHEM SID:7719 +CH$LINK: PUBCHEM CID:440638 CH$LINK: INCHIKEY PLDCWKCPEXNWJH-ZETCQYMHSA-N AC$INSTRUMENT: API3000, Applied Biosystems AC$INSTRUMENT_TYPE: LC-ESI-QQ diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO002292.txt b/Keio_Univ/MSBNK-Keio_Univ-KO002292.txt index 38b071cd5fd..9af68a40011 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO002292.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO002292.txt @@ -13,7 +13,7 @@ CH$EXACT_MASS: 217.14264 CH$SMILES: NCCCC[C@@H](C(O)=O)NC(=O)CCN CH$IUPAC: InChI=1S/C9H19N3O3/c10-5-2-1-3-7(9(14)15)12-8(13)4-6-11/h7H,1-6,10-11H2,(H,12,13)(H,14,15)/t7-/m0/s1 CH$LINK: KEGG C05341 -CH$LINK: PUBCHEM SID:7719 +CH$LINK: PUBCHEM CID:440638 CH$LINK: INCHIKEY PLDCWKCPEXNWJH-ZETCQYMHSA-N AC$INSTRUMENT: API3000, Applied Biosystems AC$INSTRUMENT_TYPE: LC-ESI-QQ diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO002293.txt b/Keio_Univ/MSBNK-Keio_Univ-KO002293.txt index defc51494b1..1a36fd25212 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO002293.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO002293.txt @@ -15,7 +15,7 @@ CH$LINK: CAS 103-84-4 CH$LINK: CHEBI CHEBI:28884 CH$LINK: KEGG C07565 CH$LINK: NIKKAJI J4.023A -CH$LINK: PUBCHEM SID:9768 +CH$LINK: PUBCHEM CID:904 CH$LINK: INCHIKEY FZERHIULMFGESH-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID2022543 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO002294.txt b/Keio_Univ/MSBNK-Keio_Univ-KO002294.txt index 6f8eff0e997..66e8e17119d 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO002294.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO002294.txt @@ -15,7 +15,7 @@ CH$LINK: CAS 103-84-4 CH$LINK: CHEBI CHEBI:28884 CH$LINK: KEGG C07565 CH$LINK: NIKKAJI J4.023A -CH$LINK: PUBCHEM SID:9768 +CH$LINK: PUBCHEM CID:904 CH$LINK: INCHIKEY FZERHIULMFGESH-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID2022543 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO002295.txt b/Keio_Univ/MSBNK-Keio_Univ-KO002295.txt index f677988706b..c4d2ecdf787 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO002295.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO002295.txt @@ -15,7 +15,7 @@ CH$LINK: CAS 103-84-4 CH$LINK: CHEBI CHEBI:28884 CH$LINK: KEGG C07565 CH$LINK: NIKKAJI J4.023A -CH$LINK: PUBCHEM SID:9768 +CH$LINK: PUBCHEM CID:904 CH$LINK: INCHIKEY FZERHIULMFGESH-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID2022543 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO002296.txt b/Keio_Univ/MSBNK-Keio_Univ-KO002296.txt index a071ffaf883..f9bbbab30b6 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO002296.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO002296.txt @@ -15,7 +15,7 @@ CH$LINK: CAS 103-84-4 CH$LINK: CHEBI CHEBI:28884 CH$LINK: KEGG C07565 CH$LINK: NIKKAJI J4.023A -CH$LINK: PUBCHEM SID:9768 +CH$LINK: PUBCHEM CID:904 CH$LINK: INCHIKEY FZERHIULMFGESH-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID2022543 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO002297.txt b/Keio_Univ/MSBNK-Keio_Univ-KO002297.txt index 24980e7b1ac..ba7e237d10e 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO002297.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO002297.txt @@ -15,7 +15,7 @@ CH$LINK: CAS 103-84-4 CH$LINK: CHEBI CHEBI:28884 CH$LINK: KEGG C07565 CH$LINK: NIKKAJI J4.023A -CH$LINK: PUBCHEM SID:9768 +CH$LINK: PUBCHEM CID:904 CH$LINK: INCHIKEY FZERHIULMFGESH-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID2022543 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO002298.txt b/Keio_Univ/MSBNK-Keio_Univ-KO002298.txt index 8d395a7d39e..f8bb7803107 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO002298.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO002298.txt @@ -13,7 +13,7 @@ CH$EXACT_MASS: 169.01401 CH$SMILES: NC(C(O)=O)CP(O)(O)=O CH$IUPAC: InChI=1S/C3H8NO5P/c4-2(3(5)6)1-10(7,8)9/h2H,1,4H2,(H,5,6)(H2,7,8,9) CH$LINK: KEGG C05672 -CH$LINK: PUBCHEM SID:7979 +CH$LINK: PUBCHEM CID:3857 CH$LINK: INCHIKEY LBTABPSJONFLPO-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID40863590 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO002299.txt b/Keio_Univ/MSBNK-Keio_Univ-KO002299.txt index d41f86f51ea..3d4bf1dcfe4 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO002299.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO002299.txt @@ -13,7 +13,7 @@ CH$EXACT_MASS: 169.01401 CH$SMILES: NC(C(O)=O)CP(O)(O)=O CH$IUPAC: InChI=1S/C3H8NO5P/c4-2(3(5)6)1-10(7,8)9/h2H,1,4H2,(H,5,6)(H2,7,8,9) CH$LINK: KEGG C05672 -CH$LINK: PUBCHEM SID:7979 +CH$LINK: PUBCHEM CID:3857 CH$LINK: INCHIKEY LBTABPSJONFLPO-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID40863590 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO002300.txt b/Keio_Univ/MSBNK-Keio_Univ-KO002300.txt index 75883d05771..f0745159a1a 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO002300.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO002300.txt @@ -13,7 +13,7 @@ CH$EXACT_MASS: 169.01401 CH$SMILES: NC(C(O)=O)CP(O)(O)=O CH$IUPAC: InChI=1S/C3H8NO5P/c4-2(3(5)6)1-10(7,8)9/h2H,1,4H2,(H,5,6)(H2,7,8,9) CH$LINK: KEGG C05672 -CH$LINK: PUBCHEM SID:7979 +CH$LINK: PUBCHEM CID:3857 CH$LINK: INCHIKEY LBTABPSJONFLPO-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID40863590 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO002301.txt b/Keio_Univ/MSBNK-Keio_Univ-KO002301.txt index 469fb33b947..eac3b105711 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO002301.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO002301.txt @@ -13,7 +13,7 @@ CH$EXACT_MASS: 169.01401 CH$SMILES: NC(C(O)=O)CP(O)(O)=O CH$IUPAC: InChI=1S/C3H8NO5P/c4-2(3(5)6)1-10(7,8)9/h2H,1,4H2,(H,5,6)(H2,7,8,9) CH$LINK: KEGG C05672 -CH$LINK: PUBCHEM SID:7979 +CH$LINK: PUBCHEM CID:3857 CH$LINK: INCHIKEY LBTABPSJONFLPO-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID40863590 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO002302.txt b/Keio_Univ/MSBNK-Keio_Univ-KO002302.txt index 7d972f54448..a277c425426 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO002302.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO002302.txt @@ -13,7 +13,7 @@ CH$EXACT_MASS: 169.01401 CH$SMILES: NC(C(O)=O)CP(O)(O)=O CH$IUPAC: InChI=1S/C3H8NO5P/c4-2(3(5)6)1-10(7,8)9/h2H,1,4H2,(H,5,6)(H2,7,8,9) CH$LINK: KEGG C05672 -CH$LINK: PUBCHEM SID:7979 +CH$LINK: PUBCHEM CID:3857 CH$LINK: INCHIKEY LBTABPSJONFLPO-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID40863590 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO002303.txt b/Keio_Univ/MSBNK-Keio_Univ-KO002303.txt index 8dcfb4b5655..0c62c883ef5 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO002303.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO002303.txt @@ -22,7 +22,7 @@ CH$LINK: CAS 3031-94-5 CH$LINK: CHEBI CHEBI:18406 CH$LINK: KEGG C04677 CH$LINK: NIKKAJI J7.665A -CH$LINK: PUBCHEM SID:7258 +CH$LINK: PUBCHEM CID:65110 CH$LINK: INCHIKEY NOTGFIUVDGNKRI-UUOKFMHZSA-N CH$LINK: COMPTOX DTXSID10904363 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO002304.txt b/Keio_Univ/MSBNK-Keio_Univ-KO002304.txt index e6d5168b761..f288c561a3d 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO002304.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO002304.txt @@ -22,7 +22,7 @@ CH$LINK: CAS 3031-94-5 CH$LINK: CHEBI CHEBI:18406 CH$LINK: KEGG C04677 CH$LINK: NIKKAJI J7.665A -CH$LINK: PUBCHEM SID:7258 +CH$LINK: PUBCHEM CID:65110 CH$LINK: INCHIKEY NOTGFIUVDGNKRI-UUOKFMHZSA-N CH$LINK: COMPTOX DTXSID10904363 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO002305.txt b/Keio_Univ/MSBNK-Keio_Univ-KO002305.txt index 375f87e32e6..687267e9999 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO002305.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO002305.txt @@ -22,7 +22,7 @@ CH$LINK: CAS 3031-94-5 CH$LINK: CHEBI CHEBI:18406 CH$LINK: KEGG C04677 CH$LINK: NIKKAJI J7.665A -CH$LINK: PUBCHEM SID:7258 +CH$LINK: PUBCHEM CID:65110 CH$LINK: INCHIKEY NOTGFIUVDGNKRI-UUOKFMHZSA-N CH$LINK: COMPTOX DTXSID10904363 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO002306.txt b/Keio_Univ/MSBNK-Keio_Univ-KO002306.txt index c593c13a91c..61868283d24 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO002306.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO002306.txt @@ -22,7 +22,7 @@ CH$LINK: CAS 3031-94-5 CH$LINK: CHEBI CHEBI:18406 CH$LINK: KEGG C04677 CH$LINK: NIKKAJI J7.665A -CH$LINK: PUBCHEM SID:7258 +CH$LINK: PUBCHEM CID:65110 CH$LINK: INCHIKEY NOTGFIUVDGNKRI-UUOKFMHZSA-N CH$LINK: COMPTOX DTXSID10904363 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO002307.txt b/Keio_Univ/MSBNK-Keio_Univ-KO002307.txt index d6bdb40cf5d..a37d44d90e1 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO002307.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO002307.txt @@ -22,7 +22,7 @@ CH$LINK: CAS 3031-94-5 CH$LINK: CHEBI CHEBI:18406 CH$LINK: KEGG C04677 CH$LINK: NIKKAJI J7.665A -CH$LINK: PUBCHEM SID:7258 +CH$LINK: PUBCHEM CID:65110 CH$LINK: INCHIKEY NOTGFIUVDGNKRI-UUOKFMHZSA-N CH$LINK: COMPTOX DTXSID10904363 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO002308.txt b/Keio_Univ/MSBNK-Keio_Univ-KO002308.txt index 91e3e1b320e..5ccde63d065 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO002308.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO002308.txt @@ -16,7 +16,7 @@ CH$LINK: CAS 660-88-8 CH$LINK: CHEBI CHEBI:15887 CH$LINK: KEGG C00431 CH$LINK: NIKKAJI J38.132B -CH$LINK: PUBCHEM SID:3720 +CH$LINK: PUBCHEM CID:138 CH$LINK: INCHIKEY JJMDCOVWQOJGCB-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID70216212 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO002309.txt b/Keio_Univ/MSBNK-Keio_Univ-KO002309.txt index 0cd5ae99ebc..4cce6926309 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO002309.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO002309.txt @@ -16,7 +16,7 @@ CH$LINK: CAS 660-88-8 CH$LINK: CHEBI CHEBI:15887 CH$LINK: KEGG C00431 CH$LINK: NIKKAJI J38.132B -CH$LINK: PUBCHEM SID:3720 +CH$LINK: PUBCHEM CID:138 CH$LINK: INCHIKEY JJMDCOVWQOJGCB-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID70216212 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO002310.txt b/Keio_Univ/MSBNK-Keio_Univ-KO002310.txt index 3cbda6ae634..5657502eca8 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO002310.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO002310.txt @@ -16,7 +16,7 @@ CH$LINK: CAS 660-88-8 CH$LINK: CHEBI CHEBI:15887 CH$LINK: KEGG C00431 CH$LINK: NIKKAJI J38.132B -CH$LINK: PUBCHEM SID:3720 +CH$LINK: PUBCHEM CID:138 CH$LINK: INCHIKEY JJMDCOVWQOJGCB-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID70216212 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO002311.txt b/Keio_Univ/MSBNK-Keio_Univ-KO002311.txt index 189765cf640..aa4f9bb11ea 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO002311.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO002311.txt @@ -16,7 +16,7 @@ CH$LINK: CAS 660-88-8 CH$LINK: CHEBI CHEBI:15887 CH$LINK: KEGG C00431 CH$LINK: NIKKAJI J38.132B -CH$LINK: PUBCHEM SID:3720 +CH$LINK: PUBCHEM CID:138 CH$LINK: INCHIKEY JJMDCOVWQOJGCB-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID70216212 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO002312.txt b/Keio_Univ/MSBNK-Keio_Univ-KO002312.txt index 93f7d43f01e..64571c41740 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO002312.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO002312.txt @@ -16,7 +16,7 @@ CH$LINK: CAS 660-88-8 CH$LINK: CHEBI CHEBI:15887 CH$LINK: KEGG C00431 CH$LINK: NIKKAJI J38.132B -CH$LINK: PUBCHEM SID:3720 +CH$LINK: PUBCHEM CID:138 CH$LINK: INCHIKEY JJMDCOVWQOJGCB-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID70216212 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO002313.txt b/Keio_Univ/MSBNK-Keio_Univ-KO002313.txt index 82b735e82b5..eafeb2171c4 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO002313.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO002313.txt @@ -12,7 +12,7 @@ CH$EXACT_MASS: 126.05416 CH$SMILES: C1=NC(=C(N1)C(=O)N)N CH$IUPAC: InChI=1S/C4H6N4O/c5-3-2(4(6)9)7-1-8-3/h1H,5H2,(H2,6,9)(H,7,8) CH$LINK: KEGG C04051 -CH$LINK: PUBCHEM SID:6752 +CH$LINK: PUBCHEM CID:9679 CH$LINK: INCHIKEY DVNYTAVYBRSTGK-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID8059891 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO002314.txt b/Keio_Univ/MSBNK-Keio_Univ-KO002314.txt index c0928b91bdb..9b5e4bbf3af 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO002314.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO002314.txt @@ -12,7 +12,7 @@ CH$EXACT_MASS: 126.05416 CH$SMILES: C1=NC(=C(N1)C(=O)N)N CH$IUPAC: InChI=1S/C4H6N4O/c5-3-2(4(6)9)7-1-8-3/h1H,5H2,(H2,6,9)(H,7,8) CH$LINK: KEGG C04051 -CH$LINK: PUBCHEM SID:6752 +CH$LINK: PUBCHEM CID:9679 CH$LINK: INCHIKEY DVNYTAVYBRSTGK-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID8059891 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO002315.txt b/Keio_Univ/MSBNK-Keio_Univ-KO002315.txt index 41d70761f2f..d3405f8d990 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO002315.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO002315.txt @@ -12,7 +12,7 @@ CH$EXACT_MASS: 126.05416 CH$SMILES: C1=NC(=C(N1)C(=O)N)N CH$IUPAC: InChI=1S/C4H6N4O/c5-3-2(4(6)9)7-1-8-3/h1H,5H2,(H2,6,9)(H,7,8) CH$LINK: KEGG C04051 -CH$LINK: PUBCHEM SID:6752 +CH$LINK: PUBCHEM CID:9679 CH$LINK: INCHIKEY DVNYTAVYBRSTGK-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID8059891 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO002316.txt b/Keio_Univ/MSBNK-Keio_Univ-KO002316.txt index 04c6f7498ff..b6d87af11f9 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO002316.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO002316.txt @@ -12,7 +12,7 @@ CH$EXACT_MASS: 126.05416 CH$SMILES: C1=NC(=C(N1)C(=O)N)N CH$IUPAC: InChI=1S/C4H6N4O/c5-3-2(4(6)9)7-1-8-3/h1H,5H2,(H2,6,9)(H,7,8) CH$LINK: KEGG C04051 -CH$LINK: PUBCHEM SID:6752 +CH$LINK: PUBCHEM CID:9679 CH$LINK: INCHIKEY DVNYTAVYBRSTGK-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID8059891 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO002317.txt b/Keio_Univ/MSBNK-Keio_Univ-KO002317.txt index 03be79166c3..5d1276c629a 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO002317.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO002317.txt @@ -12,7 +12,7 @@ CH$EXACT_MASS: 126.05416 CH$SMILES: C1=NC(=C(N1)C(=O)N)N CH$IUPAC: InChI=1S/C4H6N4O/c5-3-2(4(6)9)7-1-8-3/h1H,5H2,(H2,6,9)(H,7,8) CH$LINK: KEGG C04051 -CH$LINK: PUBCHEM SID:6752 +CH$LINK: PUBCHEM CID:9679 CH$LINK: INCHIKEY DVNYTAVYBRSTGK-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID8059891 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO002318.txt b/Keio_Univ/MSBNK-Keio_Univ-KO002318.txt index 6f842054b77..c81273a1ca0 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO002318.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO002318.txt @@ -13,7 +13,7 @@ CH$IUPAC: InChI=1S/C21H23NO5/c1-22-7-6-14-9-19-20(27-12-26-19)10-15(14)17(23)8-1 CH$LINK: CAS 24240-04-8 485-91-6 CH$LINK: CHEBI CHEBI:17390 CH$LINK: KEGG C02134 -CH$LINK: PUBCHEM SID:5213 +CH$LINK: PUBCHEM CID:98570 CH$LINK: INCHIKEY HYBRYAPKQCZIAE-UHFFFAOYSA-N AC$INSTRUMENT: API3000, Applied Biosystems AC$INSTRUMENT_TYPE: LC-ESI-QQ diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO002319.txt b/Keio_Univ/MSBNK-Keio_Univ-KO002319.txt index d85369db5ec..4fd4e5e2369 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO002319.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO002319.txt @@ -13,7 +13,7 @@ CH$IUPAC: InChI=1S/C21H23NO5/c1-22-7-6-14-9-19-20(27-12-26-19)10-15(14)17(23)8-1 CH$LINK: CAS 24240-04-8 485-91-6 CH$LINK: CHEBI CHEBI:17390 CH$LINK: KEGG C02134 -CH$LINK: PUBCHEM SID:5213 +CH$LINK: PUBCHEM CID:98570 CH$LINK: INCHIKEY HYBRYAPKQCZIAE-UHFFFAOYSA-N AC$INSTRUMENT: API3000, Applied Biosystems AC$INSTRUMENT_TYPE: LC-ESI-QQ diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO002320.txt b/Keio_Univ/MSBNK-Keio_Univ-KO002320.txt index 5fff9728337..141a41ba377 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO002320.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO002320.txt @@ -13,7 +13,7 @@ CH$IUPAC: InChI=1S/C21H23NO5/c1-22-7-6-14-9-19-20(27-12-26-19)10-15(14)17(23)8-1 CH$LINK: CAS 24240-04-8 485-91-6 CH$LINK: CHEBI CHEBI:17390 CH$LINK: KEGG C02134 -CH$LINK: PUBCHEM SID:5213 +CH$LINK: PUBCHEM CID:98570 CH$LINK: INCHIKEY HYBRYAPKQCZIAE-UHFFFAOYSA-N AC$INSTRUMENT: API3000, Applied Biosystems AC$INSTRUMENT_TYPE: LC-ESI-QQ diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO002321.txt b/Keio_Univ/MSBNK-Keio_Univ-KO002321.txt index e321af8b1cd..feb4968aba8 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO002321.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO002321.txt @@ -13,7 +13,7 @@ CH$IUPAC: InChI=1S/C21H23NO5/c1-22-7-6-14-9-19-20(27-12-26-19)10-15(14)17(23)8-1 CH$LINK: CAS 24240-04-8 485-91-6 CH$LINK: CHEBI CHEBI:17390 CH$LINK: KEGG C02134 -CH$LINK: PUBCHEM SID:5213 +CH$LINK: PUBCHEM CID:98570 CH$LINK: INCHIKEY HYBRYAPKQCZIAE-UHFFFAOYSA-N AC$INSTRUMENT: API3000, Applied Biosystems AC$INSTRUMENT_TYPE: LC-ESI-QQ diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO002322.txt b/Keio_Univ/MSBNK-Keio_Univ-KO002322.txt index 413ff249cb4..ae27bf55db1 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO002322.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO002322.txt @@ -13,7 +13,7 @@ CH$IUPAC: InChI=1S/C21H23NO5/c1-22-7-6-14-9-19-20(27-12-26-19)10-15(14)17(23)8-1 CH$LINK: CAS 24240-04-8 485-91-6 CH$LINK: CHEBI CHEBI:17390 CH$LINK: KEGG C02134 -CH$LINK: PUBCHEM SID:5213 +CH$LINK: PUBCHEM CID:98570 CH$LINK: INCHIKEY HYBRYAPKQCZIAE-UHFFFAOYSA-N AC$INSTRUMENT: API3000, Applied Biosystems AC$INSTRUMENT_TYPE: LC-ESI-QQ diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO002323.txt b/Keio_Univ/MSBNK-Keio_Univ-KO002323.txt index 91a48bf1157..416515790ca 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO002323.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO002323.txt @@ -15,7 +15,7 @@ CH$LINK: CAS 3025-95-4 CH$LINK: CHEBI CHEBI:16682 CH$LINK: KEGG C01073 CH$LINK: NIKKAJI J135.888J -CH$LINK: PUBCHEM SID:4311 +CH$LINK: PUBCHEM CID:76406 CH$LINK: INCHIKEY LJLLAWRMBZNPMO-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID90184343 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO002324.txt b/Keio_Univ/MSBNK-Keio_Univ-KO002324.txt index 0c8a4a893ba..f8df8967c59 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO002324.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO002324.txt @@ -15,7 +15,7 @@ CH$LINK: CAS 3025-95-4 CH$LINK: CHEBI CHEBI:16682 CH$LINK: KEGG C01073 CH$LINK: NIKKAJI J135.888J -CH$LINK: PUBCHEM SID:4311 +CH$LINK: PUBCHEM CID:76406 CH$LINK: INCHIKEY LJLLAWRMBZNPMO-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID90184343 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO002325.txt b/Keio_Univ/MSBNK-Keio_Univ-KO002325.txt index 9926d9ac2a2..bc306836a84 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO002325.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO002325.txt @@ -15,7 +15,7 @@ CH$LINK: CAS 3025-95-4 CH$LINK: CHEBI CHEBI:16682 CH$LINK: KEGG C01073 CH$LINK: NIKKAJI J135.888J -CH$LINK: PUBCHEM SID:4311 +CH$LINK: PUBCHEM CID:76406 CH$LINK: INCHIKEY LJLLAWRMBZNPMO-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID90184343 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO002326.txt b/Keio_Univ/MSBNK-Keio_Univ-KO002326.txt index 2990dfeefad..c8d7dca082f 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO002326.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO002326.txt @@ -15,7 +15,7 @@ CH$LINK: CAS 3025-95-4 CH$LINK: CHEBI CHEBI:16682 CH$LINK: KEGG C01073 CH$LINK: NIKKAJI J135.888J -CH$LINK: PUBCHEM SID:4311 +CH$LINK: PUBCHEM CID:76406 CH$LINK: INCHIKEY LJLLAWRMBZNPMO-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID90184343 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO002327.txt b/Keio_Univ/MSBNK-Keio_Univ-KO002327.txt index cbefa5a52d2..d0551b49f58 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO002327.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO002327.txt @@ -15,7 +15,7 @@ CH$LINK: CAS 3025-95-4 CH$LINK: CHEBI CHEBI:16682 CH$LINK: KEGG C01073 CH$LINK: NIKKAJI J135.888J -CH$LINK: PUBCHEM SID:4311 +CH$LINK: PUBCHEM CID:76406 CH$LINK: INCHIKEY LJLLAWRMBZNPMO-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID90184343 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO002328.txt b/Keio_Univ/MSBNK-Keio_Univ-KO002328.txt index 6379e92bbb0..41279a87d0a 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO002328.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO002328.txt @@ -16,7 +16,7 @@ CH$LINK: CAS 584-85-0 CH$LINK: CHEBI CHEBI:18323 CH$LINK: KEGG C01262 CH$LINK: NIKKAJI J28.566H -CH$LINK: PUBCHEM SID:4481 +CH$LINK: PUBCHEM CID:112072 CH$LINK: INCHIKEY MYYIAHXIVFADCU-QMMMGPOBSA-N CH$LINK: COMPTOX DTXSID30973950 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO002329.txt b/Keio_Univ/MSBNK-Keio_Univ-KO002329.txt index 108400361b5..c67ccb2aafd 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO002329.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO002329.txt @@ -16,7 +16,7 @@ CH$LINK: CAS 584-85-0 CH$LINK: CHEBI CHEBI:18323 CH$LINK: KEGG C01262 CH$LINK: NIKKAJI J28.566H -CH$LINK: PUBCHEM SID:4481 +CH$LINK: PUBCHEM CID:112072 CH$LINK: INCHIKEY MYYIAHXIVFADCU-QMMMGPOBSA-N CH$LINK: COMPTOX DTXSID30973950 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO002330.txt b/Keio_Univ/MSBNK-Keio_Univ-KO002330.txt index 2eafab8967a..580f2443bd4 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO002330.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO002330.txt @@ -16,7 +16,7 @@ CH$LINK: CAS 584-85-0 CH$LINK: CHEBI CHEBI:18323 CH$LINK: KEGG C01262 CH$LINK: NIKKAJI J28.566H -CH$LINK: PUBCHEM SID:4481 +CH$LINK: PUBCHEM CID:112072 CH$LINK: INCHIKEY MYYIAHXIVFADCU-QMMMGPOBSA-N CH$LINK: COMPTOX DTXSID30973950 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO002331.txt b/Keio_Univ/MSBNK-Keio_Univ-KO002331.txt index 660e5ea494d..7db8d302366 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO002331.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO002331.txt @@ -16,7 +16,7 @@ CH$LINK: CAS 584-85-0 CH$LINK: CHEBI CHEBI:18323 CH$LINK: KEGG C01262 CH$LINK: NIKKAJI J28.566H -CH$LINK: PUBCHEM SID:4481 +CH$LINK: PUBCHEM CID:112072 CH$LINK: INCHIKEY MYYIAHXIVFADCU-QMMMGPOBSA-N CH$LINK: COMPTOX DTXSID30973950 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO002332.txt b/Keio_Univ/MSBNK-Keio_Univ-KO002332.txt index 67feff50882..874ed4a23fe 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO002332.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO002332.txt @@ -16,7 +16,7 @@ CH$LINK: CAS 584-85-0 CH$LINK: CHEBI CHEBI:18323 CH$LINK: KEGG C01262 CH$LINK: NIKKAJI J28.566H -CH$LINK: PUBCHEM SID:4481 +CH$LINK: PUBCHEM CID:112072 CH$LINK: INCHIKEY MYYIAHXIVFADCU-QMMMGPOBSA-N CH$LINK: COMPTOX DTXSID30973950 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO002338.txt b/Keio_Univ/MSBNK-Keio_Univ-KO002338.txt index 17c0a23c7b3..04681b6b8f6 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO002338.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO002338.txt @@ -15,7 +15,7 @@ CH$LINK: CAS 1188-21-2 CH$LINK: CHEBI CHEBI:17786 CH$LINK: KEGG C02710 CH$LINK: NIKKAJI J23.189D -CH$LINK: PUBCHEM SID:5673 +CH$LINK: PUBCHEM CID:70912 CH$LINK: INCHIKEY WXNXCEHXYPACJF-ZETCQYMHSA-N CH$LINK: COMPTOX DTXSID6045870 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO002339.txt b/Keio_Univ/MSBNK-Keio_Univ-KO002339.txt index 948ca62b0b1..fef06f8aea7 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO002339.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO002339.txt @@ -15,7 +15,7 @@ CH$LINK: CAS 1188-21-2 CH$LINK: CHEBI CHEBI:17786 CH$LINK: KEGG C02710 CH$LINK: NIKKAJI J23.189D -CH$LINK: PUBCHEM SID:5673 +CH$LINK: PUBCHEM CID:70912 CH$LINK: INCHIKEY WXNXCEHXYPACJF-ZETCQYMHSA-N CH$LINK: COMPTOX DTXSID6045870 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO002340.txt b/Keio_Univ/MSBNK-Keio_Univ-KO002340.txt index 47c533bcc8c..46ff1e18631 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO002340.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO002340.txt @@ -15,7 +15,7 @@ CH$LINK: CAS 1188-21-2 CH$LINK: CHEBI CHEBI:17786 CH$LINK: KEGG C02710 CH$LINK: NIKKAJI J23.189D -CH$LINK: PUBCHEM SID:5673 +CH$LINK: PUBCHEM CID:70912 CH$LINK: INCHIKEY WXNXCEHXYPACJF-ZETCQYMHSA-N CH$LINK: COMPTOX DTXSID6045870 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO002341.txt b/Keio_Univ/MSBNK-Keio_Univ-KO002341.txt index ae1f8d8fc60..bd8fb916aa5 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO002341.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO002341.txt @@ -15,7 +15,7 @@ CH$LINK: CAS 1188-21-2 CH$LINK: CHEBI CHEBI:17786 CH$LINK: KEGG C02710 CH$LINK: NIKKAJI J23.189D -CH$LINK: PUBCHEM SID:5673 +CH$LINK: PUBCHEM CID:70912 CH$LINK: INCHIKEY WXNXCEHXYPACJF-ZETCQYMHSA-N CH$LINK: COMPTOX DTXSID6045870 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO002342.txt b/Keio_Univ/MSBNK-Keio_Univ-KO002342.txt index a739010c7ed..3cacfe0d86e 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO002342.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO002342.txt @@ -15,7 +15,7 @@ CH$LINK: CAS 1188-21-2 CH$LINK: CHEBI CHEBI:17786 CH$LINK: KEGG C02710 CH$LINK: NIKKAJI J23.189D -CH$LINK: PUBCHEM SID:5673 +CH$LINK: PUBCHEM CID:70912 CH$LINK: INCHIKEY WXNXCEHXYPACJF-ZETCQYMHSA-N CH$LINK: COMPTOX DTXSID6045870 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO002343.txt b/Keio_Univ/MSBNK-Keio_Univ-KO002343.txt index fac9363d60a..cac32e56376 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO002343.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO002343.txt @@ -19,7 +19,7 @@ CH$LINK: CHEBI CHEBI:17296 CH$LINK: CHEMPDB ANL CH$LINK: KEGG C00292 CH$LINK: NIKKAJI J2.349C -CH$LINK: PUBCHEM SID:3586 +CH$LINK: PUBCHEM CID:6115 CH$LINK: INCHIKEY PAYRUJLWNCNPSJ-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID8020090 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO002344.txt b/Keio_Univ/MSBNK-Keio_Univ-KO002344.txt index 06ab98ce3d5..a53bcecf070 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO002344.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO002344.txt @@ -19,7 +19,7 @@ CH$LINK: CHEBI CHEBI:17296 CH$LINK: CHEMPDB ANL CH$LINK: KEGG C00292 CH$LINK: NIKKAJI J2.349C -CH$LINK: PUBCHEM SID:3586 +CH$LINK: PUBCHEM CID:6115 CH$LINK: INCHIKEY PAYRUJLWNCNPSJ-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID8020090 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO002345.txt b/Keio_Univ/MSBNK-Keio_Univ-KO002345.txt index a67cf4a9e99..d942a01d30d 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO002345.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO002345.txt @@ -19,7 +19,7 @@ CH$LINK: CHEBI CHEBI:17296 CH$LINK: CHEMPDB ANL CH$LINK: KEGG C00292 CH$LINK: NIKKAJI J2.349C -CH$LINK: PUBCHEM SID:3586 +CH$LINK: PUBCHEM CID:6115 CH$LINK: INCHIKEY PAYRUJLWNCNPSJ-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID8020090 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO002346.txt b/Keio_Univ/MSBNK-Keio_Univ-KO002346.txt index 403ecc53af8..c8983124685 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO002346.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO002346.txt @@ -19,7 +19,7 @@ CH$LINK: CHEBI CHEBI:17296 CH$LINK: CHEMPDB ANL CH$LINK: KEGG C00292 CH$LINK: NIKKAJI J2.349C -CH$LINK: PUBCHEM SID:3586 +CH$LINK: PUBCHEM CID:6115 CH$LINK: INCHIKEY PAYRUJLWNCNPSJ-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID8020090 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO002347.txt b/Keio_Univ/MSBNK-Keio_Univ-KO002347.txt index ec64b8e3cf3..3a1fece7207 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO002347.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO002347.txt @@ -19,7 +19,7 @@ CH$LINK: CHEBI CHEBI:17296 CH$LINK: CHEMPDB ANL CH$LINK: KEGG C00292 CH$LINK: NIKKAJI J2.349C -CH$LINK: PUBCHEM SID:3586 +CH$LINK: PUBCHEM CID:6115 CH$LINK: INCHIKEY PAYRUJLWNCNPSJ-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID8020090 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO002353.txt b/Keio_Univ/MSBNK-Keio_Univ-KO002353.txt index 6961ec034ce..18d414e2ce3 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO002353.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO002353.txt @@ -16,7 +16,7 @@ CH$LINK: CHEBI CHEBI:17752 CH$LINK: CHEMPDB ALY CH$LINK: KEGG C02727 CH$LINK: NIKKAJI J206.006J -CH$LINK: PUBCHEM SID:5689 +CH$LINK: PUBCHEM CID:92832 CH$LINK: INCHIKEY DTERQYGMUDWYAZ-ZETCQYMHSA-N AC$INSTRUMENT: API3000, Applied Biosystems AC$INSTRUMENT_TYPE: LC-ESI-QQ diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO002354.txt b/Keio_Univ/MSBNK-Keio_Univ-KO002354.txt index f409399fdc1..2ba0471a478 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO002354.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO002354.txt @@ -16,7 +16,7 @@ CH$LINK: CHEBI CHEBI:17752 CH$LINK: CHEMPDB ALY CH$LINK: KEGG C02727 CH$LINK: NIKKAJI J206.006J -CH$LINK: PUBCHEM SID:5689 +CH$LINK: PUBCHEM CID:92832 CH$LINK: INCHIKEY DTERQYGMUDWYAZ-ZETCQYMHSA-N AC$INSTRUMENT: API3000, Applied Biosystems AC$INSTRUMENT_TYPE: LC-ESI-QQ diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO002355.txt b/Keio_Univ/MSBNK-Keio_Univ-KO002355.txt index cc56d8cbea0..54cc10baa81 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO002355.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO002355.txt @@ -16,7 +16,7 @@ CH$LINK: CHEBI CHEBI:17752 CH$LINK: CHEMPDB ALY CH$LINK: KEGG C02727 CH$LINK: NIKKAJI J206.006J -CH$LINK: PUBCHEM SID:5689 +CH$LINK: PUBCHEM CID:92832 CH$LINK: INCHIKEY DTERQYGMUDWYAZ-ZETCQYMHSA-N AC$INSTRUMENT: API3000, Applied Biosystems AC$INSTRUMENT_TYPE: LC-ESI-QQ diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO002356.txt b/Keio_Univ/MSBNK-Keio_Univ-KO002356.txt index 5624dcdae31..175b8ddf1e3 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO002356.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO002356.txt @@ -16,7 +16,7 @@ CH$LINK: CHEBI CHEBI:17752 CH$LINK: CHEMPDB ALY CH$LINK: KEGG C02727 CH$LINK: NIKKAJI J206.006J -CH$LINK: PUBCHEM SID:5689 +CH$LINK: PUBCHEM CID:92832 CH$LINK: INCHIKEY DTERQYGMUDWYAZ-ZETCQYMHSA-N AC$INSTRUMENT: API3000, Applied Biosystems AC$INSTRUMENT_TYPE: LC-ESI-QQ diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO002357.txt b/Keio_Univ/MSBNK-Keio_Univ-KO002357.txt index 65a9647d226..1a0a92a9f46 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO002357.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO002357.txt @@ -16,7 +16,7 @@ CH$LINK: CHEBI CHEBI:17752 CH$LINK: CHEMPDB ALY CH$LINK: KEGG C02727 CH$LINK: NIKKAJI J206.006J -CH$LINK: PUBCHEM SID:5689 +CH$LINK: PUBCHEM CID:92832 CH$LINK: INCHIKEY DTERQYGMUDWYAZ-ZETCQYMHSA-N AC$INSTRUMENT: API3000, Applied Biosystems AC$INSTRUMENT_TYPE: LC-ESI-QQ diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO002358.txt b/Keio_Univ/MSBNK-Keio_Univ-KO002358.txt index 04980943ed1..a0453f1c037 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO002358.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO002358.txt @@ -12,7 +12,7 @@ CH$EXACT_MASS: 117.07898 CH$SMILES: CCC(C)(N)C(O)=O CH$IUPAC: InChI=1S/C5H11NO2/c1-3-5(2,6)4(7)8/h3,6H2,1-2H3,(H,7,8) CH$LINK: KEGG C03571 -CH$LINK: PUBCHEM SID:6363 +CH$LINK: PUBCHEM CID:94744 CH$LINK: INCHIKEY GCHPUFAZSONQIV-UHFFFAOYSA-N AC$INSTRUMENT: API3000, Applied Biosystems AC$INSTRUMENT_TYPE: LC-ESI-QQ diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO002359.txt b/Keio_Univ/MSBNK-Keio_Univ-KO002359.txt index 6bf40cabd87..206b6224164 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO002359.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO002359.txt @@ -12,7 +12,7 @@ CH$EXACT_MASS: 117.07898 CH$SMILES: CCC(C)(N)C(O)=O CH$IUPAC: InChI=1S/C5H11NO2/c1-3-5(2,6)4(7)8/h3,6H2,1-2H3,(H,7,8) CH$LINK: KEGG C03571 -CH$LINK: PUBCHEM SID:6363 +CH$LINK: PUBCHEM CID:94744 CH$LINK: INCHIKEY GCHPUFAZSONQIV-UHFFFAOYSA-N AC$INSTRUMENT: API3000, Applied Biosystems AC$INSTRUMENT_TYPE: LC-ESI-QQ diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO002360.txt b/Keio_Univ/MSBNK-Keio_Univ-KO002360.txt index b2802d630d9..312fe417aee 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO002360.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO002360.txt @@ -12,7 +12,7 @@ CH$EXACT_MASS: 117.07898 CH$SMILES: CCC(C)(N)C(O)=O CH$IUPAC: InChI=1S/C5H11NO2/c1-3-5(2,6)4(7)8/h3,6H2,1-2H3,(H,7,8) CH$LINK: KEGG C03571 -CH$LINK: PUBCHEM SID:6363 +CH$LINK: PUBCHEM CID:94744 CH$LINK: INCHIKEY GCHPUFAZSONQIV-UHFFFAOYSA-N AC$INSTRUMENT: API3000, Applied Biosystems AC$INSTRUMENT_TYPE: LC-ESI-QQ diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO002361.txt b/Keio_Univ/MSBNK-Keio_Univ-KO002361.txt index 1b668b9c710..1b0a64bcc66 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO002361.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO002361.txt @@ -12,7 +12,7 @@ CH$EXACT_MASS: 117.07898 CH$SMILES: CCC(C)(N)C(O)=O CH$IUPAC: InChI=1S/C5H11NO2/c1-3-5(2,6)4(7)8/h3,6H2,1-2H3,(H,7,8) CH$LINK: KEGG C03571 -CH$LINK: PUBCHEM SID:6363 +CH$LINK: PUBCHEM CID:94744 CH$LINK: INCHIKEY GCHPUFAZSONQIV-UHFFFAOYSA-N AC$INSTRUMENT: API3000, Applied Biosystems AC$INSTRUMENT_TYPE: LC-ESI-QQ diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO002362.txt b/Keio_Univ/MSBNK-Keio_Univ-KO002362.txt index 5fc995630c1..7202f04eda8 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO002362.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO002362.txt @@ -12,7 +12,7 @@ CH$EXACT_MASS: 117.07898 CH$SMILES: CCC(C)(N)C(O)=O CH$IUPAC: InChI=1S/C5H11NO2/c1-3-5(2,6)4(7)8/h3,6H2,1-2H3,(H,7,8) CH$LINK: KEGG C03571 -CH$LINK: PUBCHEM SID:6363 +CH$LINK: PUBCHEM CID:94744 CH$LINK: INCHIKEY GCHPUFAZSONQIV-UHFFFAOYSA-N AC$INSTRUMENT: API3000, Applied Biosystems AC$INSTRUMENT_TYPE: LC-ESI-QQ diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO002363.txt b/Keio_Univ/MSBNK-Keio_Univ-KO002363.txt index 6a09388e7d6..c55743af8c0 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO002363.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO002363.txt @@ -13,7 +13,7 @@ CH$SMILES: OCC(O1)C(O)C(OC(C)C(O)=O)C(NC(C)=O)C(O)1 CH$IUPAC: InChI=1S/C11H19NO8/c1-4(10(16)17)19-9-7(12-5(2)14)11(18)20-6(3-13)8(9)15/h4,6-9,11,13,15,18H,3H2,1-2H3,(H,12,14)(H,16,17)/t4-,6-,7-,8-,9-,11?/m1/s1 CH$LINK: CAS 61633-75-8 CH$LINK: KEGG C02713 -CH$LINK: PUBCHEM SID:5676 +CH$LINK: PUBCHEM CID:5462244 CH$LINK: INCHIKEY MNLRQHMNZILYPY-MKFCKLDKSA-N AC$INSTRUMENT: API3000, Applied Biosystems AC$INSTRUMENT_TYPE: LC-ESI-QQ diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO002364.txt b/Keio_Univ/MSBNK-Keio_Univ-KO002364.txt index 3947f9f3118..6a500b3aafd 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO002364.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO002364.txt @@ -13,7 +13,7 @@ CH$SMILES: OCC(O1)C(O)C(OC(C)C(O)=O)C(NC(C)=O)C(O)1 CH$IUPAC: InChI=1S/C11H19NO8/c1-4(10(16)17)19-9-7(12-5(2)14)11(18)20-6(3-13)8(9)15/h4,6-9,11,13,15,18H,3H2,1-2H3,(H,12,14)(H,16,17)/t4-,6-,7-,8-,9-,11?/m1/s1 CH$LINK: CAS 61633-75-8 CH$LINK: KEGG C02713 -CH$LINK: PUBCHEM SID:5676 +CH$LINK: PUBCHEM CID:5462244 CH$LINK: INCHIKEY MNLRQHMNZILYPY-MKFCKLDKSA-N AC$INSTRUMENT: API3000, Applied Biosystems AC$INSTRUMENT_TYPE: LC-ESI-QQ diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO002365.txt b/Keio_Univ/MSBNK-Keio_Univ-KO002365.txt index cde506743f3..e53db2e50c2 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO002365.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO002365.txt @@ -13,7 +13,7 @@ CH$SMILES: OCC(O1)C(O)C(OC(C)C(O)=O)C(NC(C)=O)C(O)1 CH$IUPAC: InChI=1S/C11H19NO8/c1-4(10(16)17)19-9-7(12-5(2)14)11(18)20-6(3-13)8(9)15/h4,6-9,11,13,15,18H,3H2,1-2H3,(H,12,14)(H,16,17)/t4-,6-,7-,8-,9-,11?/m1/s1 CH$LINK: CAS 61633-75-8 CH$LINK: KEGG C02713 -CH$LINK: PUBCHEM SID:5676 +CH$LINK: PUBCHEM CID:5462244 CH$LINK: INCHIKEY MNLRQHMNZILYPY-MKFCKLDKSA-N AC$INSTRUMENT: API3000, Applied Biosystems AC$INSTRUMENT_TYPE: LC-ESI-QQ diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO002366.txt b/Keio_Univ/MSBNK-Keio_Univ-KO002366.txt index 19740d8ac38..7584da3ba64 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO002366.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO002366.txt @@ -13,7 +13,7 @@ CH$SMILES: OCC(O1)C(O)C(OC(C)C(O)=O)C(NC(C)=O)C(O)1 CH$IUPAC: InChI=1S/C11H19NO8/c1-4(10(16)17)19-9-7(12-5(2)14)11(18)20-6(3-13)8(9)15/h4,6-9,11,13,15,18H,3H2,1-2H3,(H,12,14)(H,16,17)/t4-,6-,7-,8-,9-,11?/m1/s1 CH$LINK: CAS 61633-75-8 CH$LINK: KEGG C02713 -CH$LINK: PUBCHEM SID:5676 +CH$LINK: PUBCHEM CID:5462244 CH$LINK: INCHIKEY MNLRQHMNZILYPY-MKFCKLDKSA-N AC$INSTRUMENT: API3000, Applied Biosystems AC$INSTRUMENT_TYPE: LC-ESI-QQ diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO002367.txt b/Keio_Univ/MSBNK-Keio_Univ-KO002367.txt index 845e554cd7b..fbe5adb31f2 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO002367.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO002367.txt @@ -13,7 +13,7 @@ CH$SMILES: OCC(O1)C(O)C(OC(C)C(O)=O)C(NC(C)=O)C(O)1 CH$IUPAC: InChI=1S/C11H19NO8/c1-4(10(16)17)19-9-7(12-5(2)14)11(18)20-6(3-13)8(9)15/h4,6-9,11,13,15,18H,3H2,1-2H3,(H,12,14)(H,16,17)/t4-,6-,7-,8-,9-,11?/m1/s1 CH$LINK: CAS 61633-75-8 CH$LINK: KEGG C02713 -CH$LINK: PUBCHEM SID:5676 +CH$LINK: PUBCHEM CID:5462244 CH$LINK: INCHIKEY MNLRQHMNZILYPY-MKFCKLDKSA-N AC$INSTRUMENT: API3000, Applied Biosystems AC$INSTRUMENT_TYPE: LC-ESI-QQ diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO002368.txt b/Keio_Univ/MSBNK-Keio_Univ-KO002368.txt index 03221f97ae9..ef88a0f8086 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO002368.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO002368.txt @@ -15,7 +15,7 @@ CH$IUPAC: InChI=1S/C4H11NO3/c5-4(1-6,2-7)3-8/h6-8H,1-3,5H2 CH$LINK: CAS 77-86-1 CH$LINK: KEGG C07182 CH$LINK: NIKKAJI J4.214E -CH$LINK: PUBCHEM SID:9391 +CH$LINK: PUBCHEM CID:6503 CH$LINK: INCHIKEY LENZDBCJOHFCAS-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID2023723 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO002369.txt b/Keio_Univ/MSBNK-Keio_Univ-KO002369.txt index 0b1f0398213..75699ac70f5 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO002369.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO002369.txt @@ -15,7 +15,7 @@ CH$IUPAC: InChI=1S/C4H11NO3/c5-4(1-6,2-7)3-8/h6-8H,1-3,5H2 CH$LINK: CAS 77-86-1 CH$LINK: KEGG C07182 CH$LINK: NIKKAJI J4.214E -CH$LINK: PUBCHEM SID:9391 +CH$LINK: PUBCHEM CID:6503 CH$LINK: INCHIKEY LENZDBCJOHFCAS-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID2023723 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO002370.txt b/Keio_Univ/MSBNK-Keio_Univ-KO002370.txt index 0c2fff54e93..47480e4ee49 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO002370.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO002370.txt @@ -15,7 +15,7 @@ CH$IUPAC: InChI=1S/C4H11NO3/c5-4(1-6,2-7)3-8/h6-8H,1-3,5H2 CH$LINK: CAS 77-86-1 CH$LINK: KEGG C07182 CH$LINK: NIKKAJI J4.214E -CH$LINK: PUBCHEM SID:9391 +CH$LINK: PUBCHEM CID:6503 CH$LINK: INCHIKEY LENZDBCJOHFCAS-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID2023723 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO002371.txt b/Keio_Univ/MSBNK-Keio_Univ-KO002371.txt index a6b26e10ec9..f962c399e58 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO002371.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO002371.txt @@ -15,7 +15,7 @@ CH$IUPAC: InChI=1S/C4H11NO3/c5-4(1-6,2-7)3-8/h6-8H,1-3,5H2 CH$LINK: CAS 77-86-1 CH$LINK: KEGG C07182 CH$LINK: NIKKAJI J4.214E -CH$LINK: PUBCHEM SID:9391 +CH$LINK: PUBCHEM CID:6503 CH$LINK: INCHIKEY LENZDBCJOHFCAS-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID2023723 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO002372.txt b/Keio_Univ/MSBNK-Keio_Univ-KO002372.txt index 96d3b2e1160..151d592b77d 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO002372.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO002372.txt @@ -15,7 +15,7 @@ CH$IUPAC: InChI=1S/C4H11NO3/c5-4(1-6,2-7)3-8/h6-8H,1-3,5H2 CH$LINK: CAS 77-86-1 CH$LINK: KEGG C07182 CH$LINK: NIKKAJI J4.214E -CH$LINK: PUBCHEM SID:9391 +CH$LINK: PUBCHEM CID:6503 CH$LINK: INCHIKEY LENZDBCJOHFCAS-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID2023723 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO002373.txt b/Keio_Univ/MSBNK-Keio_Univ-KO002373.txt index 83d5c285980..73bdc547ef7 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO002373.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO002373.txt @@ -14,7 +14,7 @@ CH$IUPAC: InChI=1S/C16H19N3O4S/c1-16(2)11(15(22)23)19-13(21)10(14(19)24-16)18-12 CH$LINK: CAS 69-53-4 CH$LINK: KEGG C06574 CH$LINK: NIKKAJI J4.515B -CH$LINK: PUBCHEM SID:8803 +CH$LINK: PUBCHEM CID:6249 CH$LINK: INCHIKEY AVKUERGKIZMTKX-NJBDSQKTSA-N CH$LINK: COMPTOX DTXSID4022602 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO002374.txt b/Keio_Univ/MSBNK-Keio_Univ-KO002374.txt index dab9d1ed063..82b53a2bdce 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO002374.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO002374.txt @@ -14,7 +14,7 @@ CH$IUPAC: InChI=1S/C16H19N3O4S/c1-16(2)11(15(22)23)19-13(21)10(14(19)24-16)18-12 CH$LINK: CAS 69-53-4 CH$LINK: KEGG C06574 CH$LINK: NIKKAJI J4.515B -CH$LINK: PUBCHEM SID:8803 +CH$LINK: PUBCHEM CID:6249 CH$LINK: INCHIKEY AVKUERGKIZMTKX-NJBDSQKTSA-N CH$LINK: COMPTOX DTXSID4022602 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO002375.txt b/Keio_Univ/MSBNK-Keio_Univ-KO002375.txt index 2f4e2a19fc4..50b82bb671d 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO002375.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO002375.txt @@ -14,7 +14,7 @@ CH$IUPAC: InChI=1S/C16H19N3O4S/c1-16(2)11(15(22)23)19-13(21)10(14(19)24-16)18-12 CH$LINK: CAS 69-53-4 CH$LINK: KEGG C06574 CH$LINK: NIKKAJI J4.515B -CH$LINK: PUBCHEM SID:8803 +CH$LINK: PUBCHEM CID:6249 CH$LINK: INCHIKEY AVKUERGKIZMTKX-NJBDSQKTSA-N CH$LINK: COMPTOX DTXSID4022602 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO002376.txt b/Keio_Univ/MSBNK-Keio_Univ-KO002376.txt index 1cdf755ef7d..501dea7542c 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO002376.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO002376.txt @@ -14,7 +14,7 @@ CH$IUPAC: InChI=1S/C16H19N3O4S/c1-16(2)11(15(22)23)19-13(21)10(14(19)24-16)18-12 CH$LINK: CAS 69-53-4 CH$LINK: KEGG C06574 CH$LINK: NIKKAJI J4.515B -CH$LINK: PUBCHEM SID:8803 +CH$LINK: PUBCHEM CID:6249 CH$LINK: INCHIKEY AVKUERGKIZMTKX-NJBDSQKTSA-N CH$LINK: COMPTOX DTXSID4022602 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO002377.txt b/Keio_Univ/MSBNK-Keio_Univ-KO002377.txt index 7a5fae75402..0d2bd70534c 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO002377.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO002377.txt @@ -14,7 +14,7 @@ CH$IUPAC: InChI=1S/C16H19N3O4S/c1-16(2)11(15(22)23)19-13(21)10(14(19)24-16)18-12 CH$LINK: CAS 69-53-4 CH$LINK: KEGG C06574 CH$LINK: NIKKAJI J4.515B -CH$LINK: PUBCHEM SID:8803 +CH$LINK: PUBCHEM CID:6249 CH$LINK: INCHIKEY AVKUERGKIZMTKX-NJBDSQKTSA-N CH$LINK: COMPTOX DTXSID4022602 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO002378.txt b/Keio_Univ/MSBNK-Keio_Univ-KO002378.txt index 8b3efffaadc..a09a867ffdf 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO002378.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO002378.txt @@ -13,7 +13,7 @@ CH$IUPAC: InChI=1S/C5H8ClN5/c1-2-8-5-10-3(6)9-4(7)11-5/h2H2,1H3,(H3,7,8,9,10,11) CH$LINK: CAS 1007-28-9 CH$LINK: KEGG C06556 CH$LINK: NIKKAJI J1.756F -CH$LINK: PUBCHEM SID:8785 +CH$LINK: PUBCHEM CID:13878 CH$LINK: INCHIKEY IVENSCMCQBJAKW-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID0037495 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO002379.txt b/Keio_Univ/MSBNK-Keio_Univ-KO002379.txt index 50304888022..585e27046e7 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO002379.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO002379.txt @@ -13,7 +13,7 @@ CH$IUPAC: InChI=1S/C5H8ClN5/c1-2-8-5-10-3(6)9-4(7)11-5/h2H2,1H3,(H3,7,8,9,10,11) CH$LINK: CAS 1007-28-9 CH$LINK: KEGG C06556 CH$LINK: NIKKAJI J1.756F -CH$LINK: PUBCHEM SID:8785 +CH$LINK: PUBCHEM CID:13878 CH$LINK: INCHIKEY IVENSCMCQBJAKW-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID0037495 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO002380.txt b/Keio_Univ/MSBNK-Keio_Univ-KO002380.txt index 2fc81816ba5..94987243713 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO002380.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO002380.txt @@ -13,7 +13,7 @@ CH$IUPAC: InChI=1S/C5H8ClN5/c1-2-8-5-10-3(6)9-4(7)11-5/h2H2,1H3,(H3,7,8,9,10,11) CH$LINK: CAS 1007-28-9 CH$LINK: KEGG C06556 CH$LINK: NIKKAJI J1.756F -CH$LINK: PUBCHEM SID:8785 +CH$LINK: PUBCHEM CID:13878 CH$LINK: INCHIKEY IVENSCMCQBJAKW-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID0037495 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO002381.txt b/Keio_Univ/MSBNK-Keio_Univ-KO002381.txt index 1d540aed348..bd00c14fedb 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO002381.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO002381.txt @@ -13,7 +13,7 @@ CH$IUPAC: InChI=1S/C5H8ClN5/c1-2-8-5-10-3(6)9-4(7)11-5/h2H2,1H3,(H3,7,8,9,10,11) CH$LINK: CAS 1007-28-9 CH$LINK: KEGG C06556 CH$LINK: NIKKAJI J1.756F -CH$LINK: PUBCHEM SID:8785 +CH$LINK: PUBCHEM CID:13878 CH$LINK: INCHIKEY IVENSCMCQBJAKW-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID0037495 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO002382.txt b/Keio_Univ/MSBNK-Keio_Univ-KO002382.txt index c31b0617726..96158eb2ef9 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO002382.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO002382.txt @@ -13,7 +13,7 @@ CH$IUPAC: InChI=1S/C5H8ClN5/c1-2-8-5-10-3(6)9-4(7)11-5/h2H2,1H3,(H3,7,8,9,10,11) CH$LINK: CAS 1007-28-9 CH$LINK: KEGG C06556 CH$LINK: NIKKAJI J1.756F -CH$LINK: PUBCHEM SID:8785 +CH$LINK: PUBCHEM CID:13878 CH$LINK: INCHIKEY IVENSCMCQBJAKW-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID0037495 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO002383.txt b/Keio_Univ/MSBNK-Keio_Univ-KO002383.txt index 22195918c60..31243ce3a91 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO002383.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO002383.txt @@ -16,7 +16,7 @@ CH$IUPAC: InChI=1S/C12H12N2O2S/c13-9-1-5-11(6-2-9)17(15,16)12-7-3-10(14)4-8-12/h CH$LINK: CAS 80-08-0 CH$LINK: KEGG C07666 CH$LINK: NIKKAJI J4.247A -CH$LINK: PUBCHEM SID:9868 +CH$LINK: PUBCHEM CID:2955 CH$LINK: INCHIKEY MQJKPEGWNLWLTK-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID4020371 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO002384.txt b/Keio_Univ/MSBNK-Keio_Univ-KO002384.txt index d6b0a9607fe..8afc36a1c94 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO002384.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO002384.txt @@ -16,7 +16,7 @@ CH$IUPAC: InChI=1S/C12H12N2O2S/c13-9-1-5-11(6-2-9)17(15,16)12-7-3-10(14)4-8-12/h CH$LINK: CAS 80-08-0 CH$LINK: KEGG C07666 CH$LINK: NIKKAJI J4.247A -CH$LINK: PUBCHEM SID:9868 +CH$LINK: PUBCHEM CID:2955 CH$LINK: INCHIKEY MQJKPEGWNLWLTK-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID4020371 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO002385.txt b/Keio_Univ/MSBNK-Keio_Univ-KO002385.txt index 9f24e58ce9d..7b203c0de52 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO002385.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO002385.txt @@ -16,7 +16,7 @@ CH$IUPAC: InChI=1S/C12H12N2O2S/c13-9-1-5-11(6-2-9)17(15,16)12-7-3-10(14)4-8-12/h CH$LINK: CAS 80-08-0 CH$LINK: KEGG C07666 CH$LINK: NIKKAJI J4.247A -CH$LINK: PUBCHEM SID:9868 +CH$LINK: PUBCHEM CID:2955 CH$LINK: INCHIKEY MQJKPEGWNLWLTK-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID4020371 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO002386.txt b/Keio_Univ/MSBNK-Keio_Univ-KO002386.txt index f388605a236..17981de11b9 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO002386.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO002386.txt @@ -16,7 +16,7 @@ CH$IUPAC: InChI=1S/C12H12N2O2S/c13-9-1-5-11(6-2-9)17(15,16)12-7-3-10(14)4-8-12/h CH$LINK: CAS 80-08-0 CH$LINK: KEGG C07666 CH$LINK: NIKKAJI J4.247A -CH$LINK: PUBCHEM SID:9868 +CH$LINK: PUBCHEM CID:2955 CH$LINK: INCHIKEY MQJKPEGWNLWLTK-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID4020371 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO002387.txt b/Keio_Univ/MSBNK-Keio_Univ-KO002387.txt index 81b173e8a18..17a206c3ecb 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO002387.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO002387.txt @@ -16,7 +16,7 @@ CH$IUPAC: InChI=1S/C12H12N2O2S/c13-9-1-5-11(6-2-9)17(15,16)12-7-3-10(14)4-8-12/h CH$LINK: CAS 80-08-0 CH$LINK: KEGG C07666 CH$LINK: NIKKAJI J4.247A -CH$LINK: PUBCHEM SID:9868 +CH$LINK: PUBCHEM CID:2955 CH$LINK: INCHIKEY MQJKPEGWNLWLTK-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID4020371 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO002388.txt b/Keio_Univ/MSBNK-Keio_Univ-KO002388.txt index b957fba10d6..b3e56751e24 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO002388.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO002388.txt @@ -16,7 +16,7 @@ CH$LINK: CAS 115-69-5 CH$LINK: CHEBI CHEBI:991 CH$LINK: KEGG C11260 CH$LINK: NIKKAJI J35.183K -CH$LINK: PUBCHEM SID:13437 +CH$LINK: PUBCHEM CID:1531 CH$LINK: INCHIKEY UXFQFBNBSPQBJW-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID7059430 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO002389.txt b/Keio_Univ/MSBNK-Keio_Univ-KO002389.txt index 0b15c6d1afd..d488b5ce7c6 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO002389.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO002389.txt @@ -16,7 +16,7 @@ CH$LINK: CAS 115-69-5 CH$LINK: CHEBI CHEBI:991 CH$LINK: KEGG C11260 CH$LINK: NIKKAJI J35.183K -CH$LINK: PUBCHEM SID:13437 +CH$LINK: PUBCHEM CID:1531 CH$LINK: INCHIKEY UXFQFBNBSPQBJW-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID7059430 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO002390.txt b/Keio_Univ/MSBNK-Keio_Univ-KO002390.txt index 8572e3f1d67..06b2fae54c8 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO002390.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO002390.txt @@ -16,7 +16,7 @@ CH$LINK: CAS 115-69-5 CH$LINK: CHEBI CHEBI:991 CH$LINK: KEGG C11260 CH$LINK: NIKKAJI J35.183K -CH$LINK: PUBCHEM SID:13437 +CH$LINK: PUBCHEM CID:1531 CH$LINK: INCHIKEY UXFQFBNBSPQBJW-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID7059430 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO002391.txt b/Keio_Univ/MSBNK-Keio_Univ-KO002391.txt index 93bfa6e548e..6beee56e091 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO002391.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO002391.txt @@ -16,7 +16,7 @@ CH$LINK: CAS 115-69-5 CH$LINK: CHEBI CHEBI:991 CH$LINK: KEGG C11260 CH$LINK: NIKKAJI J35.183K -CH$LINK: PUBCHEM SID:13437 +CH$LINK: PUBCHEM CID:1531 CH$LINK: INCHIKEY UXFQFBNBSPQBJW-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID7059430 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO002392.txt b/Keio_Univ/MSBNK-Keio_Univ-KO002392.txt index 0555cac8331..3fc017632c7 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO002392.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO002392.txt @@ -16,7 +16,7 @@ CH$LINK: CAS 115-69-5 CH$LINK: CHEBI CHEBI:991 CH$LINK: KEGG C11260 CH$LINK: NIKKAJI J35.183K -CH$LINK: PUBCHEM SID:13437 +CH$LINK: PUBCHEM CID:1531 CH$LINK: INCHIKEY UXFQFBNBSPQBJW-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID7059430 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO002393.txt b/Keio_Univ/MSBNK-Keio_Univ-KO002393.txt index b9a0db33368..2bc90208623 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO002393.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO002393.txt @@ -13,7 +13,7 @@ CH$IUPAC: InChI=1S/C6H8ClN7O/c7-2-4(9)13-3(8)1(12-2)5(15)14-6(10)11/h(H4,8,9,13) CH$LINK: CAS 2609-46-3 CH$LINK: KEGG C06821 CH$LINK: NIKKAJI J9.514A -CH$LINK: PUBCHEM SID:9039 +CH$LINK: PUBCHEM CID:16231 CH$LINK: INCHIKEY XSDQTOBWRPYKKA-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID9043853 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO002394.txt b/Keio_Univ/MSBNK-Keio_Univ-KO002394.txt index 61ac92fc36b..cced9c79573 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO002394.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO002394.txt @@ -13,7 +13,7 @@ CH$IUPAC: InChI=1S/C6H8ClN7O/c7-2-4(9)13-3(8)1(12-2)5(15)14-6(10)11/h(H4,8,9,13) CH$LINK: CAS 2609-46-3 CH$LINK: KEGG C06821 CH$LINK: NIKKAJI J9.514A -CH$LINK: PUBCHEM SID:9039 +CH$LINK: PUBCHEM CID:16231 CH$LINK: INCHIKEY XSDQTOBWRPYKKA-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID9043853 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO002395.txt b/Keio_Univ/MSBNK-Keio_Univ-KO002395.txt index 5881c9893d6..2cbd31032c3 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO002395.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO002395.txt @@ -13,7 +13,7 @@ CH$IUPAC: InChI=1S/C6H8ClN7O/c7-2-4(9)13-3(8)1(12-2)5(15)14-6(10)11/h(H4,8,9,13) CH$LINK: CAS 2609-46-3 CH$LINK: KEGG C06821 CH$LINK: NIKKAJI J9.514A -CH$LINK: PUBCHEM SID:9039 +CH$LINK: PUBCHEM CID:16231 CH$LINK: INCHIKEY XSDQTOBWRPYKKA-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID9043853 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO002396.txt b/Keio_Univ/MSBNK-Keio_Univ-KO002396.txt index 76e936c5a0f..bcbba271f71 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO002396.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO002396.txt @@ -13,7 +13,7 @@ CH$IUPAC: InChI=1S/C6H8ClN7O/c7-2-4(9)13-3(8)1(12-2)5(15)14-6(10)11/h(H4,8,9,13) CH$LINK: CAS 2609-46-3 CH$LINK: KEGG C06821 CH$LINK: NIKKAJI J9.514A -CH$LINK: PUBCHEM SID:9039 +CH$LINK: PUBCHEM CID:16231 CH$LINK: INCHIKEY XSDQTOBWRPYKKA-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID9043853 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO002397.txt b/Keio_Univ/MSBNK-Keio_Univ-KO002397.txt index 28fb820d613..e0abe050fcf 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO002397.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO002397.txt @@ -13,7 +13,7 @@ CH$IUPAC: InChI=1S/C6H8ClN7O/c7-2-4(9)13-3(8)1(12-2)5(15)14-6(10)11/h(H4,8,9,13) CH$LINK: CAS 2609-46-3 CH$LINK: KEGG C06821 CH$LINK: NIKKAJI J9.514A -CH$LINK: PUBCHEM SID:9039 +CH$LINK: PUBCHEM CID:16231 CH$LINK: INCHIKEY XSDQTOBWRPYKKA-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID9043853 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO002398.txt b/Keio_Univ/MSBNK-Keio_Univ-KO002398.txt index e04b3d1215f..793c0d6e1e6 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO002398.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO002398.txt @@ -15,7 +15,7 @@ CH$IUPAC: InChI=1S/C26H35N5O6/c1-17(30-25(36)21(27)14-19-8-10-20(33)11-9-19)24(3 CH$LINK: CAS 78123-71-4 CH$LINK: KEGG C11318 CH$LINK: NIKKAJI J23.722A -CH$LINK: PUBCHEM SID:13493 +CH$LINK: PUBCHEM CID:5462471 CH$LINK: INCHIKEY HPZJMUBDEAMBFI-WTNAPCKOSA-N CH$LINK: COMPTOX DTXSID30228775 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO002399.txt b/Keio_Univ/MSBNK-Keio_Univ-KO002399.txt index 71bebb4f727..aaaf1691004 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO002399.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO002399.txt @@ -15,7 +15,7 @@ CH$IUPAC: InChI=1S/C26H35N5O6/c1-17(30-25(36)21(27)14-19-8-10-20(33)11-9-19)24(3 CH$LINK: CAS 78123-71-4 CH$LINK: KEGG C11318 CH$LINK: NIKKAJI J23.722A -CH$LINK: PUBCHEM SID:13493 +CH$LINK: PUBCHEM CID:5462471 CH$LINK: INCHIKEY HPZJMUBDEAMBFI-WTNAPCKOSA-N CH$LINK: COMPTOX DTXSID30228775 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO002400.txt b/Keio_Univ/MSBNK-Keio_Univ-KO002400.txt index 55384fdc3e4..058e0ad1e63 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO002400.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO002400.txt @@ -15,7 +15,7 @@ CH$IUPAC: InChI=1S/C26H35N5O6/c1-17(30-25(36)21(27)14-19-8-10-20(33)11-9-19)24(3 CH$LINK: CAS 78123-71-4 CH$LINK: KEGG C11318 CH$LINK: NIKKAJI J23.722A -CH$LINK: PUBCHEM SID:13493 +CH$LINK: PUBCHEM CID:5462471 CH$LINK: INCHIKEY HPZJMUBDEAMBFI-WTNAPCKOSA-N CH$LINK: COMPTOX DTXSID30228775 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO002401.txt b/Keio_Univ/MSBNK-Keio_Univ-KO002401.txt index 4fe3f334c53..e4ad6f51554 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO002401.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO002401.txt @@ -15,7 +15,7 @@ CH$IUPAC: InChI=1S/C26H35N5O6/c1-17(30-25(36)21(27)14-19-8-10-20(33)11-9-19)24(3 CH$LINK: CAS 78123-71-4 CH$LINK: KEGG C11318 CH$LINK: NIKKAJI J23.722A -CH$LINK: PUBCHEM SID:13493 +CH$LINK: PUBCHEM CID:5462471 CH$LINK: INCHIKEY HPZJMUBDEAMBFI-WTNAPCKOSA-N CH$LINK: COMPTOX DTXSID30228775 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO002402.txt b/Keio_Univ/MSBNK-Keio_Univ-KO002402.txt index b35ad557202..0af57b26b69 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO002402.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO002402.txt @@ -15,7 +15,7 @@ CH$IUPAC: InChI=1S/C26H35N5O6/c1-17(30-25(36)21(27)14-19-8-10-20(33)11-9-19)24(3 CH$LINK: CAS 78123-71-4 CH$LINK: KEGG C11318 CH$LINK: NIKKAJI J23.722A -CH$LINK: PUBCHEM SID:13493 +CH$LINK: PUBCHEM CID:5462471 CH$LINK: INCHIKEY HPZJMUBDEAMBFI-WTNAPCKOSA-N CH$LINK: COMPTOX DTXSID30228775 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO002403.txt b/Keio_Univ/MSBNK-Keio_Univ-KO002403.txt index 62c91e7bfa9..bcb5c6071de 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO002403.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO002403.txt @@ -16,7 +16,7 @@ CH$IUPAC: InChI=1S/CH6NO3P/c2-1-6(3,4)5/h1-2H2,(H2,3,4,5) CH$LINK: CAS 1066-51-9 CH$LINK: KEGG C11033 CH$LINK: NIKKAJI J138.614J -CH$LINK: PUBCHEM SID:13216 +CH$LINK: PUBCHEM CID:14017 CH$LINK: INCHIKEY MGRVRXRGTBOSHW-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID5037490 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO002404.txt b/Keio_Univ/MSBNK-Keio_Univ-KO002404.txt index c3a6e727f0c..a76ad1d7bf4 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO002404.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO002404.txt @@ -16,7 +16,7 @@ CH$IUPAC: InChI=1S/CH6NO3P/c2-1-6(3,4)5/h1-2H2,(H2,3,4,5) CH$LINK: CAS 1066-51-9 CH$LINK: KEGG C11033 CH$LINK: NIKKAJI J138.614J -CH$LINK: PUBCHEM SID:13216 +CH$LINK: PUBCHEM CID:14017 CH$LINK: INCHIKEY MGRVRXRGTBOSHW-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID5037490 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO002405.txt b/Keio_Univ/MSBNK-Keio_Univ-KO002405.txt index 055636ea3a4..3e03a7a7079 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO002405.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO002405.txt @@ -16,7 +16,7 @@ CH$IUPAC: InChI=1S/CH6NO3P/c2-1-6(3,4)5/h1-2H2,(H2,3,4,5) CH$LINK: CAS 1066-51-9 CH$LINK: KEGG C11033 CH$LINK: NIKKAJI J138.614J -CH$LINK: PUBCHEM SID:13216 +CH$LINK: PUBCHEM CID:14017 CH$LINK: INCHIKEY MGRVRXRGTBOSHW-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID5037490 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO002406.txt b/Keio_Univ/MSBNK-Keio_Univ-KO002406.txt index cff6fa2961e..b782dd7aab6 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO002406.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO002406.txt @@ -16,7 +16,7 @@ CH$IUPAC: InChI=1S/CH6NO3P/c2-1-6(3,4)5/h1-2H2,(H2,3,4,5) CH$LINK: CAS 1066-51-9 CH$LINK: KEGG C11033 CH$LINK: NIKKAJI J138.614J -CH$LINK: PUBCHEM SID:13216 +CH$LINK: PUBCHEM CID:14017 CH$LINK: INCHIKEY MGRVRXRGTBOSHW-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID5037490 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO002407.txt b/Keio_Univ/MSBNK-Keio_Univ-KO002407.txt index 15ea438d598..0d3d7be272e 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO002407.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO002407.txt @@ -16,7 +16,7 @@ CH$IUPAC: InChI=1S/CH6NO3P/c2-1-6(3,4)5/h1-2H2,(H2,3,4,5) CH$LINK: CAS 1066-51-9 CH$LINK: KEGG C11033 CH$LINK: NIKKAJI J138.614J -CH$LINK: PUBCHEM SID:13216 +CH$LINK: PUBCHEM CID:14017 CH$LINK: INCHIKEY MGRVRXRGTBOSHW-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID5037490 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO002413.txt b/Keio_Univ/MSBNK-Keio_Univ-KO002413.txt index 57bb7a44e58..c02363729be 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO002413.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO002413.txt @@ -13,7 +13,7 @@ CH$IUPAC: InChI=1S/C22H43N5O13/c23-2-1-8(29)20(36)27-7-3-6(25)18(39-22-16(34)15( CH$LINK: CAS 37517-28-5 CH$LINK: KEGG C06820 CH$LINK: NIKKAJI J19.345C -CH$LINK: PUBCHEM SID:9038 +CH$LINK: PUBCHEM CID:37768 CH$LINK: INCHIKEY LKCWBDHBTVXHDL-RMDFUYIESA-N CH$LINK: COMPTOX DTXSID3022586 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO002414.txt b/Keio_Univ/MSBNK-Keio_Univ-KO002414.txt index b13e70e55c0..e32a076af78 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO002414.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO002414.txt @@ -13,7 +13,7 @@ CH$IUPAC: InChI=1S/C22H43N5O13/c23-2-1-8(29)20(36)27-7-3-6(25)18(39-22-16(34)15( CH$LINK: CAS 37517-28-5 CH$LINK: KEGG C06820 CH$LINK: NIKKAJI J19.345C -CH$LINK: PUBCHEM SID:9038 +CH$LINK: PUBCHEM CID:37768 CH$LINK: INCHIKEY LKCWBDHBTVXHDL-RMDFUYIESA-N CH$LINK: COMPTOX DTXSID3022586 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO002415.txt b/Keio_Univ/MSBNK-Keio_Univ-KO002415.txt index a86892eb41c..732e5bf72e9 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO002415.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO002415.txt @@ -13,7 +13,7 @@ CH$IUPAC: InChI=1S/C22H43N5O13/c23-2-1-8(29)20(36)27-7-3-6(25)18(39-22-16(34)15( CH$LINK: CAS 37517-28-5 CH$LINK: KEGG C06820 CH$LINK: NIKKAJI J19.345C -CH$LINK: PUBCHEM SID:9038 +CH$LINK: PUBCHEM CID:37768 CH$LINK: INCHIKEY LKCWBDHBTVXHDL-RMDFUYIESA-N CH$LINK: COMPTOX DTXSID3022586 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO002416.txt b/Keio_Univ/MSBNK-Keio_Univ-KO002416.txt index be4b3f6294c..c39e4e56fe7 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO002416.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO002416.txt @@ -13,7 +13,7 @@ CH$IUPAC: InChI=1S/C22H43N5O13/c23-2-1-8(29)20(36)27-7-3-6(25)18(39-22-16(34)15( CH$LINK: CAS 37517-28-5 CH$LINK: KEGG C06820 CH$LINK: NIKKAJI J19.345C -CH$LINK: PUBCHEM SID:9038 +CH$LINK: PUBCHEM CID:37768 CH$LINK: INCHIKEY LKCWBDHBTVXHDL-RMDFUYIESA-N CH$LINK: COMPTOX DTXSID3022586 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO002417.txt b/Keio_Univ/MSBNK-Keio_Univ-KO002417.txt index fe25cc31676..4fb8559506c 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO002417.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO002417.txt @@ -13,7 +13,7 @@ CH$IUPAC: InChI=1S/C22H43N5O13/c23-2-1-8(29)20(36)27-7-3-6(25)18(39-22-16(34)15( CH$LINK: CAS 37517-28-5 CH$LINK: KEGG C06820 CH$LINK: NIKKAJI J19.345C -CH$LINK: PUBCHEM SID:9038 +CH$LINK: PUBCHEM CID:37768 CH$LINK: INCHIKEY LKCWBDHBTVXHDL-RMDFUYIESA-N CH$LINK: COMPTOX DTXSID3022586 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO002418.txt b/Keio_Univ/MSBNK-Keio_Univ-KO002418.txt index 97d5d8de481..b77d9b91991 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO002418.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO002418.txt @@ -15,7 +15,7 @@ CH$EXACT_MASS: 103.06333 CH$SMILES: CC[C@H](N)C(O)=O CH$IUPAC: InChI=1S/C4H9NO2/c1-2-3(5)4(6)7/h3H,2,5H2,1H3,(H,6,7)/t3-/m0/s1 CH$LINK: KEGG C02356 -CH$LINK: PUBCHEM SID:5403 +CH$LINK: PUBCHEM CID:80283 CH$LINK: INCHIKEY QWCKQJZIFLGMSD-VKHMYHEASA-N CH$LINK: COMPTOX DTXSID10883684 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO002419.txt b/Keio_Univ/MSBNK-Keio_Univ-KO002419.txt index 33252560fe2..0b71d5685ef 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO002419.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO002419.txt @@ -15,7 +15,7 @@ CH$EXACT_MASS: 103.06333 CH$SMILES: CC[C@H](N)C(O)=O CH$IUPAC: InChI=1S/C4H9NO2/c1-2-3(5)4(6)7/h3H,2,5H2,1H3,(H,6,7)/t3-/m0/s1 CH$LINK: KEGG C02356 -CH$LINK: PUBCHEM SID:5403 +CH$LINK: PUBCHEM CID:80283 CH$LINK: INCHIKEY QWCKQJZIFLGMSD-VKHMYHEASA-N CH$LINK: COMPTOX DTXSID10883684 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO002420.txt b/Keio_Univ/MSBNK-Keio_Univ-KO002420.txt index 2df5aa290f3..34f5899e162 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO002420.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO002420.txt @@ -15,7 +15,7 @@ CH$EXACT_MASS: 103.06333 CH$SMILES: CC[C@H](N)C(O)=O CH$IUPAC: InChI=1S/C4H9NO2/c1-2-3(5)4(6)7/h3H,2,5H2,1H3,(H,6,7)/t3-/m0/s1 CH$LINK: KEGG C02356 -CH$LINK: PUBCHEM SID:5403 +CH$LINK: PUBCHEM CID:80283 CH$LINK: INCHIKEY QWCKQJZIFLGMSD-VKHMYHEASA-N CH$LINK: COMPTOX DTXSID10883684 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO002421.txt b/Keio_Univ/MSBNK-Keio_Univ-KO002421.txt index c68b138578e..ba75f7aeffc 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO002421.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO002421.txt @@ -15,7 +15,7 @@ CH$EXACT_MASS: 103.06333 CH$SMILES: CC[C@H](N)C(O)=O CH$IUPAC: InChI=1S/C4H9NO2/c1-2-3(5)4(6)7/h3H,2,5H2,1H3,(H,6,7)/t3-/m0/s1 CH$LINK: KEGG C02356 -CH$LINK: PUBCHEM SID:5403 +CH$LINK: PUBCHEM CID:80283 CH$LINK: INCHIKEY QWCKQJZIFLGMSD-VKHMYHEASA-N CH$LINK: COMPTOX DTXSID10883684 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO002422.txt b/Keio_Univ/MSBNK-Keio_Univ-KO002422.txt index 821130a377e..36702799b3b 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO002422.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO002422.txt @@ -15,7 +15,7 @@ CH$EXACT_MASS: 103.06333 CH$SMILES: CC[C@H](N)C(O)=O CH$IUPAC: InChI=1S/C4H9NO2/c1-2-3(5)4(6)7/h3H,2,5H2,1H3,(H,6,7)/t3-/m0/s1 CH$LINK: KEGG C02356 -CH$LINK: PUBCHEM SID:5403 +CH$LINK: PUBCHEM CID:80283 CH$LINK: INCHIKEY QWCKQJZIFLGMSD-VKHMYHEASA-N CH$LINK: COMPTOX DTXSID10883684 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO002423.txt b/Keio_Univ/MSBNK-Keio_Univ-KO002423.txt index 6ed2891f8ce..6335c08ec67 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO002423.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO002423.txt @@ -18,7 +18,7 @@ CH$LINK: CHEBI CHEBI:17148 CH$LINK: CHEMPDB PUT CH$LINK: KEGG C00134 CH$LINK: NIKKAJI J1.979H -CH$LINK: PUBCHEM SID:3434 +CH$LINK: PUBCHEM CID:1045 CH$LINK: INCHIKEY KIDHWZJUCRJVML-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID4041107 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO002424.txt b/Keio_Univ/MSBNK-Keio_Univ-KO002424.txt index 901ddd94996..c615f3a70c8 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO002424.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO002424.txt @@ -18,7 +18,7 @@ CH$LINK: CHEBI CHEBI:17148 CH$LINK: CHEMPDB PUT CH$LINK: KEGG C00134 CH$LINK: NIKKAJI J1.979H -CH$LINK: PUBCHEM SID:3434 +CH$LINK: PUBCHEM CID:1045 CH$LINK: INCHIKEY KIDHWZJUCRJVML-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID4041107 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO002425.txt b/Keio_Univ/MSBNK-Keio_Univ-KO002425.txt index caa8853de63..f8329c53945 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO002425.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO002425.txt @@ -18,7 +18,7 @@ CH$LINK: CHEBI CHEBI:17148 CH$LINK: CHEMPDB PUT CH$LINK: KEGG C00134 CH$LINK: NIKKAJI J1.979H -CH$LINK: PUBCHEM SID:3434 +CH$LINK: PUBCHEM CID:1045 CH$LINK: INCHIKEY KIDHWZJUCRJVML-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID4041107 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO002426.txt b/Keio_Univ/MSBNK-Keio_Univ-KO002426.txt index f2e7d67336b..77e812c177c 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO002426.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO002426.txt @@ -18,7 +18,7 @@ CH$LINK: CHEBI CHEBI:17148 CH$LINK: CHEMPDB PUT CH$LINK: KEGG C00134 CH$LINK: NIKKAJI J1.979H -CH$LINK: PUBCHEM SID:3434 +CH$LINK: PUBCHEM CID:1045 CH$LINK: INCHIKEY KIDHWZJUCRJVML-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID4041107 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO002427.txt b/Keio_Univ/MSBNK-Keio_Univ-KO002427.txt index 740f5401139..9ad279e9b18 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO002427.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO002427.txt @@ -18,7 +18,7 @@ CH$LINK: CHEBI CHEBI:17148 CH$LINK: CHEMPDB PUT CH$LINK: KEGG C00134 CH$LINK: NIKKAJI J1.979H -CH$LINK: PUBCHEM SID:3434 +CH$LINK: PUBCHEM CID:1045 CH$LINK: INCHIKEY KIDHWZJUCRJVML-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID4041107 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO002428.txt b/Keio_Univ/MSBNK-Keio_Univ-KO002428.txt index 8dce9b22565..c6540eef107 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO002428.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO002428.txt @@ -13,7 +13,7 @@ CH$IUPAC: InChI=1S/C7H8N2/c8-7(9)6-4-2-1-3-5-6/h1-5H,(H3,8,9) CH$LINK: CAS 618-39-3 CH$LINK: KEGG C01784 CH$LINK: NIKKAJI J95.743G -CH$LINK: PUBCHEM SID:4914 +CH$LINK: PUBCHEM CID:2332 CH$LINK: INCHIKEY PXXJHWLDUBFPOL-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID8045012 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO002429.txt b/Keio_Univ/MSBNK-Keio_Univ-KO002429.txt index ed76293aa96..5af5e3bbf47 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO002429.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO002429.txt @@ -13,7 +13,7 @@ CH$IUPAC: InChI=1S/C7H8N2/c8-7(9)6-4-2-1-3-5-6/h1-5H,(H3,8,9) CH$LINK: CAS 618-39-3 CH$LINK: KEGG C01784 CH$LINK: NIKKAJI J95.743G -CH$LINK: PUBCHEM SID:4914 +CH$LINK: PUBCHEM CID:2332 CH$LINK: INCHIKEY PXXJHWLDUBFPOL-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID8045012 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO002430.txt b/Keio_Univ/MSBNK-Keio_Univ-KO002430.txt index 59ef12feb53..93982835b04 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO002430.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO002430.txt @@ -13,7 +13,7 @@ CH$IUPAC: InChI=1S/C7H8N2/c8-7(9)6-4-2-1-3-5-6/h1-5H,(H3,8,9) CH$LINK: CAS 618-39-3 CH$LINK: KEGG C01784 CH$LINK: NIKKAJI J95.743G -CH$LINK: PUBCHEM SID:4914 +CH$LINK: PUBCHEM CID:2332 CH$LINK: INCHIKEY PXXJHWLDUBFPOL-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID8045012 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO002431.txt b/Keio_Univ/MSBNK-Keio_Univ-KO002431.txt index c1d054b6875..029e9d855a8 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO002431.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO002431.txt @@ -13,7 +13,7 @@ CH$IUPAC: InChI=1S/C7H8N2/c8-7(9)6-4-2-1-3-5-6/h1-5H,(H3,8,9) CH$LINK: CAS 618-39-3 CH$LINK: KEGG C01784 CH$LINK: NIKKAJI J95.743G -CH$LINK: PUBCHEM SID:4914 +CH$LINK: PUBCHEM CID:2332 CH$LINK: INCHIKEY PXXJHWLDUBFPOL-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID8045012 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO002432.txt b/Keio_Univ/MSBNK-Keio_Univ-KO002432.txt index ee1a834e453..c556df5cc38 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO002432.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO002432.txt @@ -13,7 +13,7 @@ CH$IUPAC: InChI=1S/C7H8N2/c8-7(9)6-4-2-1-3-5-6/h1-5H,(H3,8,9) CH$LINK: CAS 618-39-3 CH$LINK: KEGG C01784 CH$LINK: NIKKAJI J95.743G -CH$LINK: PUBCHEM SID:4914 +CH$LINK: PUBCHEM CID:2332 CH$LINK: INCHIKEY PXXJHWLDUBFPOL-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID8045012 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO002433.txt b/Keio_Univ/MSBNK-Keio_Univ-KO002433.txt index a738af96092..f0cc0c40740 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO002433.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO002433.txt @@ -15,7 +15,7 @@ CH$LINK: CHEBI CHEBI:3028 CH$LINK: CHEMPDB BZI CH$LINK: KEGG C02009 CH$LINK: NIKKAJI J2.303E -CH$LINK: PUBCHEM SID:5105 +CH$LINK: PUBCHEM CID:5798 CH$LINK: INCHIKEY HYZJCKYKOHLVJF-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID8024573 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO002434.txt b/Keio_Univ/MSBNK-Keio_Univ-KO002434.txt index 6236f83de3e..104dd7265e0 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO002434.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO002434.txt @@ -15,7 +15,7 @@ CH$LINK: CHEBI CHEBI:3028 CH$LINK: CHEMPDB BZI CH$LINK: KEGG C02009 CH$LINK: NIKKAJI J2.303E -CH$LINK: PUBCHEM SID:5105 +CH$LINK: PUBCHEM CID:5798 CH$LINK: INCHIKEY HYZJCKYKOHLVJF-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID8024573 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO002435.txt b/Keio_Univ/MSBNK-Keio_Univ-KO002435.txt index aaa529ad2e0..13dde97562c 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO002435.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO002435.txt @@ -15,7 +15,7 @@ CH$LINK: CHEBI CHEBI:3028 CH$LINK: CHEMPDB BZI CH$LINK: KEGG C02009 CH$LINK: NIKKAJI J2.303E -CH$LINK: PUBCHEM SID:5105 +CH$LINK: PUBCHEM CID:5798 CH$LINK: INCHIKEY HYZJCKYKOHLVJF-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID8024573 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO002436.txt b/Keio_Univ/MSBNK-Keio_Univ-KO002436.txt index 0ed30fb7007..a79616a8c23 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO002436.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO002436.txt @@ -15,7 +15,7 @@ CH$LINK: CHEBI CHEBI:3028 CH$LINK: CHEMPDB BZI CH$LINK: KEGG C02009 CH$LINK: NIKKAJI J2.303E -CH$LINK: PUBCHEM SID:5105 +CH$LINK: PUBCHEM CID:5798 CH$LINK: INCHIKEY HYZJCKYKOHLVJF-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID8024573 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO002437.txt b/Keio_Univ/MSBNK-Keio_Univ-KO002437.txt index e954f2e30cd..c1aacf2ccf8 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO002437.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO002437.txt @@ -15,7 +15,7 @@ CH$LINK: CHEBI CHEBI:3028 CH$LINK: CHEMPDB BZI CH$LINK: KEGG C02009 CH$LINK: NIKKAJI J2.303E -CH$LINK: PUBCHEM SID:5105 +CH$LINK: PUBCHEM CID:5798 CH$LINK: INCHIKEY HYZJCKYKOHLVJF-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID8024573 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO002438.txt b/Keio_Univ/MSBNK-Keio_Univ-KO002438.txt index b632360f66f..de5a219019e 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO002438.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO002438.txt @@ -13,7 +13,7 @@ CH$IUPAC: InChI=1S/C7H7NO/c8-7(9)6-4-2-1-3-5-6/h1-5H,(H2,8,9) CH$LINK: CAS 55-21-0 CH$LINK: KEGG C09815 CH$LINK: NIKKAJI J1.374I -CH$LINK: PUBCHEM SID:12003 +CH$LINK: PUBCHEM CID:2331 CH$LINK: INCHIKEY KXDAEFPNCMNJSK-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID0021709 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO002439.txt b/Keio_Univ/MSBNK-Keio_Univ-KO002439.txt index 89182ea5af5..961d21b2a80 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO002439.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO002439.txt @@ -13,7 +13,7 @@ CH$IUPAC: InChI=1S/C7H7NO/c8-7(9)6-4-2-1-3-5-6/h1-5H,(H2,8,9) CH$LINK: CAS 55-21-0 CH$LINK: KEGG C09815 CH$LINK: NIKKAJI J1.374I -CH$LINK: PUBCHEM SID:12003 +CH$LINK: PUBCHEM CID:2331 CH$LINK: INCHIKEY KXDAEFPNCMNJSK-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID0021709 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO002440.txt b/Keio_Univ/MSBNK-Keio_Univ-KO002440.txt index a761c57e65d..c2297e9e18d 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO002440.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO002440.txt @@ -13,7 +13,7 @@ CH$IUPAC: InChI=1S/C7H7NO/c8-7(9)6-4-2-1-3-5-6/h1-5H,(H2,8,9) CH$LINK: CAS 55-21-0 CH$LINK: KEGG C09815 CH$LINK: NIKKAJI J1.374I -CH$LINK: PUBCHEM SID:12003 +CH$LINK: PUBCHEM CID:2331 CH$LINK: INCHIKEY KXDAEFPNCMNJSK-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID0021709 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO002441.txt b/Keio_Univ/MSBNK-Keio_Univ-KO002441.txt index 87780fbe0eb..27dffb8a20f 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO002441.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO002441.txt @@ -13,7 +13,7 @@ CH$IUPAC: InChI=1S/C7H7NO/c8-7(9)6-4-2-1-3-5-6/h1-5H,(H2,8,9) CH$LINK: CAS 55-21-0 CH$LINK: KEGG C09815 CH$LINK: NIKKAJI J1.374I -CH$LINK: PUBCHEM SID:12003 +CH$LINK: PUBCHEM CID:2331 CH$LINK: INCHIKEY KXDAEFPNCMNJSK-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID0021709 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO002442.txt b/Keio_Univ/MSBNK-Keio_Univ-KO002442.txt index d2007def93e..f783706ca23 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO002442.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO002442.txt @@ -13,7 +13,7 @@ CH$IUPAC: InChI=1S/C7H7NO/c8-7(9)6-4-2-1-3-5-6/h1-5H,(H2,8,9) CH$LINK: CAS 55-21-0 CH$LINK: KEGG C09815 CH$LINK: NIKKAJI J1.374I -CH$LINK: PUBCHEM SID:12003 +CH$LINK: PUBCHEM CID:2331 CH$LINK: INCHIKEY KXDAEFPNCMNJSK-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID0021709 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO002443.txt b/Keio_Univ/MSBNK-Keio_Univ-KO002443.txt index c5f1f7f10ee..23d94b49e42 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO002443.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO002443.txt @@ -14,7 +14,7 @@ CH$IUPAC: InChI=1S/C6H15N5/c1-2-3-4-10-6(9)11-5(7)8/h2-4H2,1H3,(H6,7,8,9,10,11) CH$LINK: CAS 692-13-7 CH$LINK: KEGG C07674 CH$LINK: NIKKAJI J9.453F -CH$LINK: PUBCHEM SID:9876 +CH$LINK: PUBCHEM CID:2468 CH$LINK: INCHIKEY XSEUMFJMFFMCIU-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID6046420 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO002444.txt b/Keio_Univ/MSBNK-Keio_Univ-KO002444.txt index e853283e402..251c9137b01 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO002444.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO002444.txt @@ -14,7 +14,7 @@ CH$IUPAC: InChI=1S/C6H15N5/c1-2-3-4-10-6(9)11-5(7)8/h2-4H2,1H3,(H6,7,8,9,10,11) CH$LINK: CAS 692-13-7 CH$LINK: KEGG C07674 CH$LINK: NIKKAJI J9.453F -CH$LINK: PUBCHEM SID:9876 +CH$LINK: PUBCHEM CID:2468 CH$LINK: INCHIKEY XSEUMFJMFFMCIU-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID6046420 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO002445.txt b/Keio_Univ/MSBNK-Keio_Univ-KO002445.txt index b36abe1f9b1..c4dda2e84a0 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO002445.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO002445.txt @@ -14,7 +14,7 @@ CH$IUPAC: InChI=1S/C6H15N5/c1-2-3-4-10-6(9)11-5(7)8/h2-4H2,1H3,(H6,7,8,9,10,11) CH$LINK: CAS 692-13-7 CH$LINK: KEGG C07674 CH$LINK: NIKKAJI J9.453F -CH$LINK: PUBCHEM SID:9876 +CH$LINK: PUBCHEM CID:2468 CH$LINK: INCHIKEY XSEUMFJMFFMCIU-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID6046420 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO002446.txt b/Keio_Univ/MSBNK-Keio_Univ-KO002446.txt index 8c19d771981..3b9da3e0cc7 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO002446.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO002446.txt @@ -14,7 +14,7 @@ CH$IUPAC: InChI=1S/C6H15N5/c1-2-3-4-10-6(9)11-5(7)8/h2-4H2,1H3,(H6,7,8,9,10,11) CH$LINK: CAS 692-13-7 CH$LINK: KEGG C07674 CH$LINK: NIKKAJI J9.453F -CH$LINK: PUBCHEM SID:9876 +CH$LINK: PUBCHEM CID:2468 CH$LINK: INCHIKEY XSEUMFJMFFMCIU-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID6046420 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO002447.txt b/Keio_Univ/MSBNK-Keio_Univ-KO002447.txt index 9344c339a7a..e4d529d81d8 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO002447.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO002447.txt @@ -14,7 +14,7 @@ CH$IUPAC: InChI=1S/C6H15N5/c1-2-3-4-10-6(9)11-5(7)8/h2-4H2,1H3,(H6,7,8,9,10,11) CH$LINK: CAS 692-13-7 CH$LINK: KEGG C07674 CH$LINK: NIKKAJI J9.453F -CH$LINK: PUBCHEM SID:9876 +CH$LINK: PUBCHEM CID:2468 CH$LINK: INCHIKEY XSEUMFJMFFMCIU-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID6046420 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO002448.txt b/Keio_Univ/MSBNK-Keio_Univ-KO002448.txt index 0a64dbf33a5..b4d1e5aa661 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO002448.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO002448.txt @@ -14,7 +14,7 @@ CH$IUPAC: InChI=1S/C9H11NO2/c1-2-12-9(11)7-3-5-8(10)6-4-7/h3-6H,2,10H2,1H3 CH$LINK: CAS 94-09-7 CH$LINK: KEGG C07527 CH$LINK: NIKKAJI J4.690F -CH$LINK: PUBCHEM SID:9730 +CH$LINK: PUBCHEM CID:2337 CH$LINK: INCHIKEY BLFLLBZGZJTVJG-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID8021804 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO002449.txt b/Keio_Univ/MSBNK-Keio_Univ-KO002449.txt index 2f65b19b70b..20575c54565 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO002449.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO002449.txt @@ -14,7 +14,7 @@ CH$IUPAC: InChI=1S/C9H11NO2/c1-2-12-9(11)7-3-5-8(10)6-4-7/h3-6H,2,10H2,1H3 CH$LINK: CAS 94-09-7 CH$LINK: KEGG C07527 CH$LINK: NIKKAJI J4.690F -CH$LINK: PUBCHEM SID:9730 +CH$LINK: PUBCHEM CID:2337 CH$LINK: INCHIKEY BLFLLBZGZJTVJG-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID8021804 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO002450.txt b/Keio_Univ/MSBNK-Keio_Univ-KO002450.txt index 5266adf0b93..efaa2de871c 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO002450.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO002450.txt @@ -14,7 +14,7 @@ CH$IUPAC: InChI=1S/C9H11NO2/c1-2-12-9(11)7-3-5-8(10)6-4-7/h3-6H,2,10H2,1H3 CH$LINK: CAS 94-09-7 CH$LINK: KEGG C07527 CH$LINK: NIKKAJI J4.690F -CH$LINK: PUBCHEM SID:9730 +CH$LINK: PUBCHEM CID:2337 CH$LINK: INCHIKEY BLFLLBZGZJTVJG-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID8021804 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO002451.txt b/Keio_Univ/MSBNK-Keio_Univ-KO002451.txt index 4e526b8426d..939d0471ff1 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO002451.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO002451.txt @@ -14,7 +14,7 @@ CH$IUPAC: InChI=1S/C9H11NO2/c1-2-12-9(11)7-3-5-8(10)6-4-7/h3-6H,2,10H2,1H3 CH$LINK: CAS 94-09-7 CH$LINK: KEGG C07527 CH$LINK: NIKKAJI J4.690F -CH$LINK: PUBCHEM SID:9730 +CH$LINK: PUBCHEM CID:2337 CH$LINK: INCHIKEY BLFLLBZGZJTVJG-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID8021804 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO002452.txt b/Keio_Univ/MSBNK-Keio_Univ-KO002452.txt index 17fa42abebe..e288dfc81f3 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO002452.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO002452.txt @@ -14,7 +14,7 @@ CH$IUPAC: InChI=1S/C9H11NO2/c1-2-12-9(11)7-3-5-8(10)6-4-7/h3-6H,2,10H2,1H3 CH$LINK: CAS 94-09-7 CH$LINK: KEGG C07527 CH$LINK: NIKKAJI J4.690F -CH$LINK: PUBCHEM SID:9730 +CH$LINK: PUBCHEM CID:2337 CH$LINK: INCHIKEY BLFLLBZGZJTVJG-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID8021804 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO002458.txt b/Keio_Univ/MSBNK-Keio_Univ-KO002458.txt index 594910af800..f9c2cfe2500 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO002458.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO002458.txt @@ -15,7 +15,7 @@ CH$IUPAC: InChI=1S/C12H11N5/c1-2-4-9(5-3-1)6-13-11-10-12(15-7-14-10)17-8-16-11/h CH$LINK: CAS 1214-39-7 CH$LINK: KEGG C11263 CH$LINK: NIKKAJI J1.764G -CH$LINK: PUBCHEM SID:13440 +CH$LINK: PUBCHEM CID:62389 CH$LINK: INCHIKEY NWBJYWHLCVSVIJ-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID7032630 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO002459.txt b/Keio_Univ/MSBNK-Keio_Univ-KO002459.txt index 96f21ab13c8..a4129a22891 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO002459.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO002459.txt @@ -15,7 +15,7 @@ CH$IUPAC: InChI=1S/C12H11N5/c1-2-4-9(5-3-1)6-13-11-10-12(15-7-14-10)17-8-16-11/h CH$LINK: CAS 1214-39-7 CH$LINK: KEGG C11263 CH$LINK: NIKKAJI J1.764G -CH$LINK: PUBCHEM SID:13440 +CH$LINK: PUBCHEM CID:62389 CH$LINK: INCHIKEY NWBJYWHLCVSVIJ-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID7032630 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO002460.txt b/Keio_Univ/MSBNK-Keio_Univ-KO002460.txt index a6cf5df1491..b81f0c40c2c 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO002460.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO002460.txt @@ -15,7 +15,7 @@ CH$IUPAC: InChI=1S/C12H11N5/c1-2-4-9(5-3-1)6-13-11-10-12(15-7-14-10)17-8-16-11/h CH$LINK: CAS 1214-39-7 CH$LINK: KEGG C11263 CH$LINK: NIKKAJI J1.764G -CH$LINK: PUBCHEM SID:13440 +CH$LINK: PUBCHEM CID:62389 CH$LINK: INCHIKEY NWBJYWHLCVSVIJ-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID7032630 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO002461.txt b/Keio_Univ/MSBNK-Keio_Univ-KO002461.txt index d1b053aab2b..0654f78ac21 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO002461.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO002461.txt @@ -15,7 +15,7 @@ CH$IUPAC: InChI=1S/C12H11N5/c1-2-4-9(5-3-1)6-13-11-10-12(15-7-14-10)17-8-16-11/h CH$LINK: CAS 1214-39-7 CH$LINK: KEGG C11263 CH$LINK: NIKKAJI J1.764G -CH$LINK: PUBCHEM SID:13440 +CH$LINK: PUBCHEM CID:62389 CH$LINK: INCHIKEY NWBJYWHLCVSVIJ-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID7032630 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO002462.txt b/Keio_Univ/MSBNK-Keio_Univ-KO002462.txt index d80a37b03a0..1d19cd1e819 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO002462.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO002462.txt @@ -15,7 +15,7 @@ CH$IUPAC: InChI=1S/C12H11N5/c1-2-4-9(5-3-1)6-13-11-10-12(15-7-14-10)17-8-16-11/h CH$LINK: CAS 1214-39-7 CH$LINK: KEGG C11263 CH$LINK: NIKKAJI J1.764G -CH$LINK: PUBCHEM SID:13440 +CH$LINK: PUBCHEM CID:62389 CH$LINK: INCHIKEY NWBJYWHLCVSVIJ-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID7032630 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO002473.txt b/Keio_Univ/MSBNK-Keio_Univ-KO002473.txt index 9b81a7ab027..493f7ef396a 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO002473.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO002473.txt @@ -15,7 +15,7 @@ CH$LINK: CAS 2086-83-1 CH$LINK: CHEBI CHEBI:16118 CH$LINK: KEGG C00757 CH$LINK: NIKKAJI J7.320B -CH$LINK: PUBCHEM SID:4019 +CH$LINK: PUBCHEM CID:2353 CH$LINK: INCHIKEY YBHILYKTIRIUTE-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID9043857 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO002474.txt b/Keio_Univ/MSBNK-Keio_Univ-KO002474.txt index bd34e68d240..86d7dee341d 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO002474.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO002474.txt @@ -15,7 +15,7 @@ CH$LINK: CAS 2086-83-1 CH$LINK: CHEBI CHEBI:16118 CH$LINK: KEGG C00757 CH$LINK: NIKKAJI J7.320B -CH$LINK: PUBCHEM SID:4019 +CH$LINK: PUBCHEM CID:2353 CH$LINK: INCHIKEY YBHILYKTIRIUTE-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID9043857 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO002475.txt b/Keio_Univ/MSBNK-Keio_Univ-KO002475.txt index 3fdde06f102..4a143288923 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO002475.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO002475.txt @@ -15,7 +15,7 @@ CH$LINK: CAS 2086-83-1 CH$LINK: CHEBI CHEBI:16118 CH$LINK: KEGG C00757 CH$LINK: NIKKAJI J7.320B -CH$LINK: PUBCHEM SID:4019 +CH$LINK: PUBCHEM CID:2353 CH$LINK: INCHIKEY YBHILYKTIRIUTE-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID9043857 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO002476.txt b/Keio_Univ/MSBNK-Keio_Univ-KO002476.txt index 6b73f3884c3..75282fa5833 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO002476.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO002476.txt @@ -15,7 +15,7 @@ CH$LINK: CAS 2086-83-1 CH$LINK: CHEBI CHEBI:16118 CH$LINK: KEGG C00757 CH$LINK: NIKKAJI J7.320B -CH$LINK: PUBCHEM SID:4019 +CH$LINK: PUBCHEM CID:2353 CH$LINK: INCHIKEY YBHILYKTIRIUTE-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID9043857 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO002477.txt b/Keio_Univ/MSBNK-Keio_Univ-KO002477.txt index 15663d9293b..97d0c4e942c 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO002477.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO002477.txt @@ -15,7 +15,7 @@ CH$LINK: CAS 2086-83-1 CH$LINK: CHEBI CHEBI:16118 CH$LINK: KEGG C00757 CH$LINK: NIKKAJI J7.320B -CH$LINK: PUBCHEM SID:4019 +CH$LINK: PUBCHEM CID:2353 CH$LINK: INCHIKEY YBHILYKTIRIUTE-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID9043857 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO002483.txt b/Keio_Univ/MSBNK-Keio_Univ-KO002483.txt index 641f2f3a64a..959a854e771 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO002483.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO002483.txt @@ -16,7 +16,7 @@ CH$LINK: CAS 4696-76-8 CH$LINK: CHEBI CHEBI:28098 CH$LINK: KEGG C00825 CH$LINK: NIKKAJI J8.763G -CH$LINK: PUBCHEM SID:4083 +CH$LINK: PUBCHEM CID:439318 CH$LINK: INCHIKEY SKKLOUVUUNMCJE-FQSMHNGLSA-N CH$LINK: COMPTOX DTXSID8023185 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO002484.txt b/Keio_Univ/MSBNK-Keio_Univ-KO002484.txt index 1570ef89547..41f51c7f524 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO002484.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO002484.txt @@ -16,7 +16,7 @@ CH$LINK: CAS 4696-76-8 CH$LINK: CHEBI CHEBI:28098 CH$LINK: KEGG C00825 CH$LINK: NIKKAJI J8.763G -CH$LINK: PUBCHEM SID:4083 +CH$LINK: PUBCHEM CID:439318 CH$LINK: INCHIKEY SKKLOUVUUNMCJE-FQSMHNGLSA-N CH$LINK: COMPTOX DTXSID8023185 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO002485.txt b/Keio_Univ/MSBNK-Keio_Univ-KO002485.txt index fd8a86bf0ad..76ffabefcb9 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO002485.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO002485.txt @@ -16,7 +16,7 @@ CH$LINK: CAS 4696-76-8 CH$LINK: CHEBI CHEBI:28098 CH$LINK: KEGG C00825 CH$LINK: NIKKAJI J8.763G -CH$LINK: PUBCHEM SID:4083 +CH$LINK: PUBCHEM CID:439318 CH$LINK: INCHIKEY SKKLOUVUUNMCJE-FQSMHNGLSA-N CH$LINK: COMPTOX DTXSID8023185 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO002486.txt b/Keio_Univ/MSBNK-Keio_Univ-KO002486.txt index ef3939bf00e..a2f625e8911 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO002486.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO002486.txt @@ -16,7 +16,7 @@ CH$LINK: CAS 4696-76-8 CH$LINK: CHEBI CHEBI:28098 CH$LINK: KEGG C00825 CH$LINK: NIKKAJI J8.763G -CH$LINK: PUBCHEM SID:4083 +CH$LINK: PUBCHEM CID:439318 CH$LINK: INCHIKEY SKKLOUVUUNMCJE-FQSMHNGLSA-N CH$LINK: COMPTOX DTXSID8023185 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO002487.txt b/Keio_Univ/MSBNK-Keio_Univ-KO002487.txt index fd272a8f975..7e0d3f57e36 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO002487.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO002487.txt @@ -16,7 +16,7 @@ CH$LINK: CAS 4696-76-8 CH$LINK: CHEBI CHEBI:28098 CH$LINK: KEGG C00825 CH$LINK: NIKKAJI J8.763G -CH$LINK: PUBCHEM SID:4083 +CH$LINK: PUBCHEM CID:439318 CH$LINK: INCHIKEY SKKLOUVUUNMCJE-FQSMHNGLSA-N CH$LINK: COMPTOX DTXSID8023185 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO002488.txt b/Keio_Univ/MSBNK-Keio_Univ-KO002488.txt index 3542aa03887..f79a3b31986 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO002488.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO002488.txt @@ -16,7 +16,7 @@ CH$LINK: CAS 4696-76-8 CH$LINK: CHEBI CHEBI:28098 CH$LINK: KEGG C00825 CH$LINK: NIKKAJI J8.763G -CH$LINK: PUBCHEM SID:4083 +CH$LINK: PUBCHEM CID:439318 CH$LINK: INCHIKEY SKKLOUVUUNMCJE-FQSMHNGLSA-N CH$LINK: COMPTOX DTXSID8023185 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO002489.txt b/Keio_Univ/MSBNK-Keio_Univ-KO002489.txt index 853284dab8e..64dce4c7301 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO002489.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO002489.txt @@ -16,7 +16,7 @@ CH$LINK: CAS 4696-76-8 CH$LINK: CHEBI CHEBI:28098 CH$LINK: KEGG C00825 CH$LINK: NIKKAJI J8.763G -CH$LINK: PUBCHEM SID:4083 +CH$LINK: PUBCHEM CID:439318 CH$LINK: INCHIKEY SKKLOUVUUNMCJE-FQSMHNGLSA-N CH$LINK: COMPTOX DTXSID8023185 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO002490.txt b/Keio_Univ/MSBNK-Keio_Univ-KO002490.txt index 5f51f2c76f8..079bfd9bfe5 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO002490.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO002490.txt @@ -16,7 +16,7 @@ CH$LINK: CAS 4696-76-8 CH$LINK: CHEBI CHEBI:28098 CH$LINK: KEGG C00825 CH$LINK: NIKKAJI J8.763G -CH$LINK: PUBCHEM SID:4083 +CH$LINK: PUBCHEM CID:439318 CH$LINK: INCHIKEY SKKLOUVUUNMCJE-FQSMHNGLSA-N CH$LINK: COMPTOX DTXSID8023185 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO002491.txt b/Keio_Univ/MSBNK-Keio_Univ-KO002491.txt index 2f237a640ea..e42387ab81f 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO002491.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO002491.txt @@ -16,7 +16,7 @@ CH$LINK: CAS 4696-76-8 CH$LINK: CHEBI CHEBI:28098 CH$LINK: KEGG C00825 CH$LINK: NIKKAJI J8.763G -CH$LINK: PUBCHEM SID:4083 +CH$LINK: PUBCHEM CID:439318 CH$LINK: INCHIKEY SKKLOUVUUNMCJE-FQSMHNGLSA-N CH$LINK: COMPTOX DTXSID8023185 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO002492.txt b/Keio_Univ/MSBNK-Keio_Univ-KO002492.txt index d17d38f2717..320b8e2c037 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO002492.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO002492.txt @@ -16,7 +16,7 @@ CH$LINK: CAS 4696-76-8 CH$LINK: CHEBI CHEBI:28098 CH$LINK: KEGG C00825 CH$LINK: NIKKAJI J8.763G -CH$LINK: PUBCHEM SID:4083 +CH$LINK: PUBCHEM CID:439318 CH$LINK: INCHIKEY SKKLOUVUUNMCJE-FQSMHNGLSA-N CH$LINK: COMPTOX DTXSID8023185 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO002493.txt b/Keio_Univ/MSBNK-Keio_Univ-KO002493.txt index 9469ecb55f7..68a46986137 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO002493.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO002493.txt @@ -15,7 +15,7 @@ CH$LINK: CAS 56-18-8 CH$LINK: CHEBI CHEBI:16841 CH$LINK: KEGG C03375 CH$LINK: NIKKAJI J9.891D -CH$LINK: PUBCHEM SID:6210 +CH$LINK: PUBCHEM CID:5942 CH$LINK: INCHIKEY OTBHHUPVCYLGQO-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID0025440 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO002494.txt b/Keio_Univ/MSBNK-Keio_Univ-KO002494.txt index a30422858d9..a3be4035702 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO002494.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO002494.txt @@ -15,7 +15,7 @@ CH$LINK: CAS 56-18-8 CH$LINK: CHEBI CHEBI:16841 CH$LINK: KEGG C03375 CH$LINK: NIKKAJI J9.891D -CH$LINK: PUBCHEM SID:6210 +CH$LINK: PUBCHEM CID:5942 CH$LINK: INCHIKEY OTBHHUPVCYLGQO-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID0025440 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO002495.txt b/Keio_Univ/MSBNK-Keio_Univ-KO002495.txt index 15c69b1610d..4514f222a96 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO002495.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO002495.txt @@ -15,7 +15,7 @@ CH$LINK: CAS 56-18-8 CH$LINK: CHEBI CHEBI:16841 CH$LINK: KEGG C03375 CH$LINK: NIKKAJI J9.891D -CH$LINK: PUBCHEM SID:6210 +CH$LINK: PUBCHEM CID:5942 CH$LINK: INCHIKEY OTBHHUPVCYLGQO-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID0025440 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO002496.txt b/Keio_Univ/MSBNK-Keio_Univ-KO002496.txt index 5f08b174861..f508678d1fe 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO002496.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO002496.txt @@ -15,7 +15,7 @@ CH$LINK: CAS 56-18-8 CH$LINK: CHEBI CHEBI:16841 CH$LINK: KEGG C03375 CH$LINK: NIKKAJI J9.891D -CH$LINK: PUBCHEM SID:6210 +CH$LINK: PUBCHEM CID:5942 CH$LINK: INCHIKEY OTBHHUPVCYLGQO-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID0025440 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO002497.txt b/Keio_Univ/MSBNK-Keio_Univ-KO002497.txt index 291204b79db..6c800afd633 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO002497.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO002497.txt @@ -15,7 +15,7 @@ CH$LINK: CAS 56-18-8 CH$LINK: CHEBI CHEBI:16841 CH$LINK: KEGG C03375 CH$LINK: NIKKAJI J9.891D -CH$LINK: PUBCHEM SID:6210 +CH$LINK: PUBCHEM CID:5942 CH$LINK: INCHIKEY OTBHHUPVCYLGQO-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID0025440 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO002498.txt b/Keio_Univ/MSBNK-Keio_Univ-KO002498.txt index 9105fa4a43e..b3c9ad93615 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO002498.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO002498.txt @@ -14,7 +14,7 @@ CH$LINK: CAS 7418-61-3 CH$LINK: CHEBI CHEBI:15710 CH$LINK: CHEMPDB BTL CH$LINK: KEGG C00576 -CH$LINK: PUBCHEM SID:3855 +CH$LINK: PUBCHEM CID:249 CH$LINK: INCHIKEY SXKNCCSPZDCRFD-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID20225152 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO002499.txt b/Keio_Univ/MSBNK-Keio_Univ-KO002499.txt index 901c9d7bf72..d18073e3474 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO002499.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO002499.txt @@ -14,7 +14,7 @@ CH$LINK: CAS 7418-61-3 CH$LINK: CHEBI CHEBI:15710 CH$LINK: CHEMPDB BTL CH$LINK: KEGG C00576 -CH$LINK: PUBCHEM SID:3855 +CH$LINK: PUBCHEM CID:249 CH$LINK: INCHIKEY SXKNCCSPZDCRFD-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID20225152 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO002500.txt b/Keio_Univ/MSBNK-Keio_Univ-KO002500.txt index 2d63574b3da..098920a670d 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO002500.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO002500.txt @@ -14,7 +14,7 @@ CH$LINK: CAS 7418-61-3 CH$LINK: CHEBI CHEBI:15710 CH$LINK: CHEMPDB BTL CH$LINK: KEGG C00576 -CH$LINK: PUBCHEM SID:3855 +CH$LINK: PUBCHEM CID:249 CH$LINK: INCHIKEY SXKNCCSPZDCRFD-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID20225152 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO002501.txt b/Keio_Univ/MSBNK-Keio_Univ-KO002501.txt index e3224c8beec..ef811445305 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO002501.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO002501.txt @@ -14,7 +14,7 @@ CH$LINK: CAS 7418-61-3 CH$LINK: CHEBI CHEBI:15710 CH$LINK: CHEMPDB BTL CH$LINK: KEGG C00576 -CH$LINK: PUBCHEM SID:3855 +CH$LINK: PUBCHEM CID:249 CH$LINK: INCHIKEY SXKNCCSPZDCRFD-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID20225152 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO002502.txt b/Keio_Univ/MSBNK-Keio_Univ-KO002502.txt index b21d30683f5..a169bcf145b 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO002502.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO002502.txt @@ -18,7 +18,7 @@ CH$LINK: CAS 107-43-7 CH$LINK: CHEBI CHEBI:17750 CH$LINK: KEGG C00719 CH$LINK: NIKKAJI J5.058J -CH$LINK: PUBCHEM SID:3985 +CH$LINK: PUBCHEM CID:247 CH$LINK: INCHIKEY KWIUHFFTVRNATP-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID8022666 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO002503.txt b/Keio_Univ/MSBNK-Keio_Univ-KO002503.txt index 71d2ebbdefd..50ae65228d1 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO002503.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO002503.txt @@ -18,7 +18,7 @@ CH$LINK: CAS 107-43-7 CH$LINK: CHEBI CHEBI:17750 CH$LINK: KEGG C00719 CH$LINK: NIKKAJI J5.058J -CH$LINK: PUBCHEM SID:3985 +CH$LINK: PUBCHEM CID:247 CH$LINK: INCHIKEY KWIUHFFTVRNATP-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID8022666 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO002504.txt b/Keio_Univ/MSBNK-Keio_Univ-KO002504.txt index 3073994adae..57d203dcb5d 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO002504.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO002504.txt @@ -18,7 +18,7 @@ CH$LINK: CAS 107-43-7 CH$LINK: CHEBI CHEBI:17750 CH$LINK: KEGG C00719 CH$LINK: NIKKAJI J5.058J -CH$LINK: PUBCHEM SID:3985 +CH$LINK: PUBCHEM CID:247 CH$LINK: INCHIKEY KWIUHFFTVRNATP-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID8022666 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO002505.txt b/Keio_Univ/MSBNK-Keio_Univ-KO002505.txt index 68870ddbaa1..68801689102 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO002505.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO002505.txt @@ -18,7 +18,7 @@ CH$LINK: CAS 107-43-7 CH$LINK: CHEBI CHEBI:17750 CH$LINK: KEGG C00719 CH$LINK: NIKKAJI J5.058J -CH$LINK: PUBCHEM SID:3985 +CH$LINK: PUBCHEM CID:247 CH$LINK: INCHIKEY KWIUHFFTVRNATP-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID8022666 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO002506.txt b/Keio_Univ/MSBNK-Keio_Univ-KO002506.txt index 0a93e292ea7..281e21b3272 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO002506.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO002506.txt @@ -18,7 +18,7 @@ CH$LINK: CAS 107-43-7 CH$LINK: CHEBI CHEBI:17750 CH$LINK: KEGG C00719 CH$LINK: NIKKAJI J5.058J -CH$LINK: PUBCHEM SID:3985 +CH$LINK: PUBCHEM CID:247 CH$LINK: INCHIKEY KWIUHFFTVRNATP-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID8022666 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO002507.txt b/Keio_Univ/MSBNK-Keio_Univ-KO002507.txt index 14fabaf414e..b6530257428 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO002507.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO002507.txt @@ -14,7 +14,7 @@ CH$IUPAC: InChI=1S/C7H13NO3/c1-8(2)4-5(9)3-6(8)7(10)11/h5-6,9H,3-4H2,1-2H3/t5-,6 CH$LINK: CAS 515-25-3 CH$LINK: KEGG C08269 CH$LINK: NIKKAJI J6.292H -CH$LINK: PUBCHEM SID:10468 +CH$LINK: PUBCHEM CID:164642 CH$LINK: INCHIKEY MUNWAHDYFVYIKH-RITPCOANSA-N CH$LINK: COMPTOX DTXSID30965830 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO002508.txt b/Keio_Univ/MSBNK-Keio_Univ-KO002508.txt index ab1ae06797c..f8ed57db036 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO002508.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO002508.txt @@ -14,7 +14,7 @@ CH$IUPAC: InChI=1S/C7H13NO3/c1-8(2)4-5(9)3-6(8)7(10)11/h5-6,9H,3-4H2,1-2H3/t5-,6 CH$LINK: CAS 515-25-3 CH$LINK: KEGG C08269 CH$LINK: NIKKAJI J6.292H -CH$LINK: PUBCHEM SID:10468 +CH$LINK: PUBCHEM CID:164642 CH$LINK: INCHIKEY MUNWAHDYFVYIKH-RITPCOANSA-N CH$LINK: COMPTOX DTXSID30965830 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO002509.txt b/Keio_Univ/MSBNK-Keio_Univ-KO002509.txt index 89e7d5b812b..f51f6c871d4 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO002509.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO002509.txt @@ -14,7 +14,7 @@ CH$IUPAC: InChI=1S/C7H13NO3/c1-8(2)4-5(9)3-6(8)7(10)11/h5-6,9H,3-4H2,1-2H3/t5-,6 CH$LINK: CAS 515-25-3 CH$LINK: KEGG C08269 CH$LINK: NIKKAJI J6.292H -CH$LINK: PUBCHEM SID:10468 +CH$LINK: PUBCHEM CID:164642 CH$LINK: INCHIKEY MUNWAHDYFVYIKH-RITPCOANSA-N CH$LINK: COMPTOX DTXSID30965830 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO002510.txt b/Keio_Univ/MSBNK-Keio_Univ-KO002510.txt index 517aa48d22c..967030bd215 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO002510.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO002510.txt @@ -14,7 +14,7 @@ CH$IUPAC: InChI=1S/C7H13NO3/c1-8(2)4-5(9)3-6(8)7(10)11/h5-6,9H,3-4H2,1-2H3/t5-,6 CH$LINK: CAS 515-25-3 CH$LINK: KEGG C08269 CH$LINK: NIKKAJI J6.292H -CH$LINK: PUBCHEM SID:10468 +CH$LINK: PUBCHEM CID:164642 CH$LINK: INCHIKEY MUNWAHDYFVYIKH-RITPCOANSA-N CH$LINK: COMPTOX DTXSID30965830 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO002511.txt b/Keio_Univ/MSBNK-Keio_Univ-KO002511.txt index 83b7873cf39..54f3e301a43 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO002511.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO002511.txt @@ -14,7 +14,7 @@ CH$IUPAC: InChI=1S/C7H13NO3/c1-8(2)4-5(9)3-6(8)7(10)11/h5-6,9H,3-4H2,1-2H3/t5-,6 CH$LINK: CAS 515-25-3 CH$LINK: KEGG C08269 CH$LINK: NIKKAJI J6.292H -CH$LINK: PUBCHEM SID:10468 +CH$LINK: PUBCHEM CID:164642 CH$LINK: INCHIKEY MUNWAHDYFVYIKH-RITPCOANSA-N CH$LINK: COMPTOX DTXSID30965830 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO002517.txt b/Keio_Univ/MSBNK-Keio_Univ-KO002517.txt index fe7878d641a..aa6cdce2f34 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO002517.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO002517.txt @@ -16,7 +16,7 @@ CH$LINK: CAS 57-00-1 CH$LINK: CHEBI CHEBI:16919 CH$LINK: KEGG C00300 CH$LINK: NIKKAJI J9.321A -CH$LINK: PUBCHEM SID:3594 +CH$LINK: PUBCHEM CID:586 CH$LINK: INCHIKEY CVSVTCORWBXHQV-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID1040451 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO002518.txt b/Keio_Univ/MSBNK-Keio_Univ-KO002518.txt index 8aad35ffc79..73540866925 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO002518.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO002518.txt @@ -16,7 +16,7 @@ CH$LINK: CAS 57-00-1 CH$LINK: CHEBI CHEBI:16919 CH$LINK: KEGG C00300 CH$LINK: NIKKAJI J9.321A -CH$LINK: PUBCHEM SID:3594 +CH$LINK: PUBCHEM CID:586 CH$LINK: INCHIKEY CVSVTCORWBXHQV-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID1040451 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO002519.txt b/Keio_Univ/MSBNK-Keio_Univ-KO002519.txt index 88c7644f4a2..100047c38d8 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO002519.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO002519.txt @@ -16,7 +16,7 @@ CH$LINK: CAS 57-00-1 CH$LINK: CHEBI CHEBI:16919 CH$LINK: KEGG C00300 CH$LINK: NIKKAJI J9.321A -CH$LINK: PUBCHEM SID:3594 +CH$LINK: PUBCHEM CID:586 CH$LINK: INCHIKEY CVSVTCORWBXHQV-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID1040451 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO002520.txt b/Keio_Univ/MSBNK-Keio_Univ-KO002520.txt index 4fa3fb0dce1..cad454a3172 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO002520.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO002520.txt @@ -16,7 +16,7 @@ CH$LINK: CAS 57-00-1 CH$LINK: CHEBI CHEBI:16919 CH$LINK: KEGG C00300 CH$LINK: NIKKAJI J9.321A -CH$LINK: PUBCHEM SID:3594 +CH$LINK: PUBCHEM CID:586 CH$LINK: INCHIKEY CVSVTCORWBXHQV-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID1040451 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO002521.txt b/Keio_Univ/MSBNK-Keio_Univ-KO002521.txt index 2fb44e6003f..d4c0503a115 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO002521.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO002521.txt @@ -16,7 +16,7 @@ CH$LINK: CAS 57-00-1 CH$LINK: CHEBI CHEBI:16919 CH$LINK: KEGG C00300 CH$LINK: NIKKAJI J9.321A -CH$LINK: PUBCHEM SID:3594 +CH$LINK: PUBCHEM CID:586 CH$LINK: INCHIKEY CVSVTCORWBXHQV-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID1040451 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO002522.txt b/Keio_Univ/MSBNK-Keio_Univ-KO002522.txt index 4762ae5ecab..585e12ebeae 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO002522.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO002522.txt @@ -16,7 +16,7 @@ CH$LINK: CAS 305-84-0 CH$LINK: CHEBI CHEBI:15727 CH$LINK: KEGG C00386 CH$LINK: NIKKAJI J5.496H -CH$LINK: PUBCHEM SID:3676 +CH$LINK: PUBCHEM CID:439224 CH$LINK: INCHIKEY CQOVPNPJLQNMDC-ZETCQYMHSA-N CH$LINK: COMPTOX DTXSID80879594 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO002523.txt b/Keio_Univ/MSBNK-Keio_Univ-KO002523.txt index aacdc4d01b7..51dfdd70a5b 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO002523.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO002523.txt @@ -16,7 +16,7 @@ CH$LINK: CAS 305-84-0 CH$LINK: CHEBI CHEBI:15727 CH$LINK: KEGG C00386 CH$LINK: NIKKAJI J5.496H -CH$LINK: PUBCHEM SID:3676 +CH$LINK: PUBCHEM CID:439224 CH$LINK: INCHIKEY CQOVPNPJLQNMDC-ZETCQYMHSA-N CH$LINK: COMPTOX DTXSID80879594 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO002524.txt b/Keio_Univ/MSBNK-Keio_Univ-KO002524.txt index 8566336ba1f..cdd8a759a8f 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO002524.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO002524.txt @@ -16,7 +16,7 @@ CH$LINK: CAS 305-84-0 CH$LINK: CHEBI CHEBI:15727 CH$LINK: KEGG C00386 CH$LINK: NIKKAJI J5.496H -CH$LINK: PUBCHEM SID:3676 +CH$LINK: PUBCHEM CID:439224 CH$LINK: INCHIKEY CQOVPNPJLQNMDC-ZETCQYMHSA-N CH$LINK: COMPTOX DTXSID80879594 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO002525.txt b/Keio_Univ/MSBNK-Keio_Univ-KO002525.txt index 15b1547cb9c..2377f0a11cd 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO002525.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO002525.txt @@ -16,7 +16,7 @@ CH$LINK: CAS 305-84-0 CH$LINK: CHEBI CHEBI:15727 CH$LINK: KEGG C00386 CH$LINK: NIKKAJI J5.496H -CH$LINK: PUBCHEM SID:3676 +CH$LINK: PUBCHEM CID:439224 CH$LINK: INCHIKEY CQOVPNPJLQNMDC-ZETCQYMHSA-N CH$LINK: COMPTOX DTXSID80879594 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO002526.txt b/Keio_Univ/MSBNK-Keio_Univ-KO002526.txt index b9c92a21618..f04bb13d325 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO002526.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO002526.txt @@ -16,7 +16,7 @@ CH$LINK: CAS 305-84-0 CH$LINK: CHEBI CHEBI:15727 CH$LINK: KEGG C00386 CH$LINK: NIKKAJI J5.496H -CH$LINK: PUBCHEM SID:3676 +CH$LINK: PUBCHEM CID:439224 CH$LINK: INCHIKEY CQOVPNPJLQNMDC-ZETCQYMHSA-N CH$LINK: COMPTOX DTXSID80879594 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO002527.txt b/Keio_Univ/MSBNK-Keio_Univ-KO002527.txt index 1313acb0fbe..9ac21477a42 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO002527.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO002527.txt @@ -16,7 +16,7 @@ CH$LINK: CAS 372-75-8 CH$LINK: CHEBI CHEBI:16349 CH$LINK: KEGG C00327 CH$LINK: NIKKAJI J5.711H -CH$LINK: PUBCHEM SID:3621 +CH$LINK: PUBCHEM CID:9750 CH$LINK: INCHIKEY RHGKLRLOHDJJDR-BYPYZUCNSA-N CH$LINK: COMPTOX DTXSID80883373 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO002528.txt b/Keio_Univ/MSBNK-Keio_Univ-KO002528.txt index c80515820e7..9b9b8c328a1 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO002528.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO002528.txt @@ -16,7 +16,7 @@ CH$LINK: CAS 372-75-8 CH$LINK: CHEBI CHEBI:16349 CH$LINK: KEGG C00327 CH$LINK: NIKKAJI J5.711H -CH$LINK: PUBCHEM SID:3621 +CH$LINK: PUBCHEM CID:9750 CH$LINK: INCHIKEY RHGKLRLOHDJJDR-BYPYZUCNSA-N CH$LINK: COMPTOX DTXSID80883373 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO002529.txt b/Keio_Univ/MSBNK-Keio_Univ-KO002529.txt index d19583eb872..23689430e5f 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO002529.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO002529.txt @@ -16,7 +16,7 @@ CH$LINK: CAS 372-75-8 CH$LINK: CHEBI CHEBI:16349 CH$LINK: KEGG C00327 CH$LINK: NIKKAJI J5.711H -CH$LINK: PUBCHEM SID:3621 +CH$LINK: PUBCHEM CID:9750 CH$LINK: INCHIKEY RHGKLRLOHDJJDR-BYPYZUCNSA-N CH$LINK: COMPTOX DTXSID80883373 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO002530.txt b/Keio_Univ/MSBNK-Keio_Univ-KO002530.txt index ee0001d3f9e..ac884668331 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO002530.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO002530.txt @@ -16,7 +16,7 @@ CH$LINK: CAS 372-75-8 CH$LINK: CHEBI CHEBI:16349 CH$LINK: KEGG C00327 CH$LINK: NIKKAJI J5.711H -CH$LINK: PUBCHEM SID:3621 +CH$LINK: PUBCHEM CID:9750 CH$LINK: INCHIKEY RHGKLRLOHDJJDR-BYPYZUCNSA-N CH$LINK: COMPTOX DTXSID80883373 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO002531.txt b/Keio_Univ/MSBNK-Keio_Univ-KO002531.txt index 52525ee4478..6453c471459 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO002531.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO002531.txt @@ -16,7 +16,7 @@ CH$LINK: CAS 372-75-8 CH$LINK: CHEBI CHEBI:16349 CH$LINK: KEGG C00327 CH$LINK: NIKKAJI J5.711H -CH$LINK: PUBCHEM SID:3621 +CH$LINK: PUBCHEM CID:9750 CH$LINK: INCHIKEY RHGKLRLOHDJJDR-BYPYZUCNSA-N CH$LINK: COMPTOX DTXSID80883373 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO002532.txt b/Keio_Univ/MSBNK-Keio_Univ-KO002532.txt index bade25cad38..2c72d910069 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO002532.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO002532.txt @@ -19,7 +19,7 @@ CH$LINK: CAS 1115-65-7 CH$LINK: CHEBI CHEBI:16345 CH$LINK: KEGG C00606 CH$LINK: NIKKAJI J36.785K -CH$LINK: PUBCHEM SID:3881 +CH$LINK: PUBCHEM CID:1549098 CH$LINK: INCHIKEY ADVPTQAUNPRNPO-REOHCLBHSA-N CH$LINK: COMPTOX DTXSID20862546 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO002533.txt b/Keio_Univ/MSBNK-Keio_Univ-KO002533.txt index e9c6f4af9e0..ea5518ca2aa 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO002533.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO002533.txt @@ -19,7 +19,7 @@ CH$LINK: CAS 1115-65-7 CH$LINK: CHEBI CHEBI:16345 CH$LINK: KEGG C00606 CH$LINK: NIKKAJI J36.785K -CH$LINK: PUBCHEM SID:3881 +CH$LINK: PUBCHEM CID:1549098 CH$LINK: INCHIKEY ADVPTQAUNPRNPO-REOHCLBHSA-N CH$LINK: COMPTOX DTXSID20862546 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO002534.txt b/Keio_Univ/MSBNK-Keio_Univ-KO002534.txt index ae6cb000cf7..0b4312510b7 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO002534.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO002534.txt @@ -19,7 +19,7 @@ CH$LINK: CAS 1115-65-7 CH$LINK: CHEBI CHEBI:16345 CH$LINK: KEGG C00606 CH$LINK: NIKKAJI J36.785K -CH$LINK: PUBCHEM SID:3881 +CH$LINK: PUBCHEM CID:1549098 CH$LINK: INCHIKEY ADVPTQAUNPRNPO-REOHCLBHSA-N CH$LINK: COMPTOX DTXSID20862546 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO002535.txt b/Keio_Univ/MSBNK-Keio_Univ-KO002535.txt index 04ad1cbcafa..96914ff1d67 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO002535.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO002535.txt @@ -19,7 +19,7 @@ CH$LINK: CAS 1115-65-7 CH$LINK: CHEBI CHEBI:16345 CH$LINK: KEGG C00606 CH$LINK: NIKKAJI J36.785K -CH$LINK: PUBCHEM SID:3881 +CH$LINK: PUBCHEM CID:1549098 CH$LINK: INCHIKEY ADVPTQAUNPRNPO-REOHCLBHSA-N CH$LINK: COMPTOX DTXSID20862546 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO002536.txt b/Keio_Univ/MSBNK-Keio_Univ-KO002536.txt index 459a18e682e..a2df621ac43 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO002536.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO002536.txt @@ -19,7 +19,7 @@ CH$LINK: CAS 1115-65-7 CH$LINK: CHEBI CHEBI:16345 CH$LINK: KEGG C00606 CH$LINK: NIKKAJI J36.785K -CH$LINK: PUBCHEM SID:3881 +CH$LINK: PUBCHEM CID:1549098 CH$LINK: INCHIKEY ADVPTQAUNPRNPO-REOHCLBHSA-N CH$LINK: COMPTOX DTXSID20862546 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO002537.txt b/Keio_Univ/MSBNK-Keio_Univ-KO002537.txt index 39f9abaec6d..67a81cf4e58 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO002537.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO002537.txt @@ -15,7 +15,7 @@ CH$LINK: CHEBI CHEBI:27732 CH$LINK: CHEMPDB CFF CH$LINK: KEGG C07481 CH$LINK: NIKKAJI J2.330B -CH$LINK: PUBCHEM SID:9684 +CH$LINK: PUBCHEM CID:2519 CH$LINK: INCHIKEY RYYVLZVUVIJVGH-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID0020232 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO002538.txt b/Keio_Univ/MSBNK-Keio_Univ-KO002538.txt index f63f494847b..832cb946bb2 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO002538.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO002538.txt @@ -15,7 +15,7 @@ CH$LINK: CHEBI CHEBI:27732 CH$LINK: CHEMPDB CFF CH$LINK: KEGG C07481 CH$LINK: NIKKAJI J2.330B -CH$LINK: PUBCHEM SID:9684 +CH$LINK: PUBCHEM CID:2519 CH$LINK: INCHIKEY RYYVLZVUVIJVGH-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID0020232 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO002539.txt b/Keio_Univ/MSBNK-Keio_Univ-KO002539.txt index 6817e150295..b0370b3a1e5 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO002539.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO002539.txt @@ -15,7 +15,7 @@ CH$LINK: CHEBI CHEBI:27732 CH$LINK: CHEMPDB CFF CH$LINK: KEGG C07481 CH$LINK: NIKKAJI J2.330B -CH$LINK: PUBCHEM SID:9684 +CH$LINK: PUBCHEM CID:2519 CH$LINK: INCHIKEY RYYVLZVUVIJVGH-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID0020232 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO002540.txt b/Keio_Univ/MSBNK-Keio_Univ-KO002540.txt index 28828b50871..248741a984f 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO002540.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO002540.txt @@ -15,7 +15,7 @@ CH$LINK: CHEBI CHEBI:27732 CH$LINK: CHEMPDB CFF CH$LINK: KEGG C07481 CH$LINK: NIKKAJI J2.330B -CH$LINK: PUBCHEM SID:9684 +CH$LINK: PUBCHEM CID:2519 CH$LINK: INCHIKEY RYYVLZVUVIJVGH-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID0020232 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO002541.txt b/Keio_Univ/MSBNK-Keio_Univ-KO002541.txt index f32b4b397ac..538afa6890f 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO002541.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO002541.txt @@ -15,7 +15,7 @@ CH$LINK: CHEBI CHEBI:27732 CH$LINK: CHEMPDB CFF CH$LINK: KEGG C07481 CH$LINK: NIKKAJI J2.330B -CH$LINK: PUBCHEM SID:9684 +CH$LINK: PUBCHEM CID:2519 CH$LINK: INCHIKEY RYYVLZVUVIJVGH-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID0020232 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO002542.txt b/Keio_Univ/MSBNK-Keio_Univ-KO002542.txt index 40d55195df8..0b0d6cf313a 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO002542.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO002542.txt @@ -18,7 +18,7 @@ CH$LINK: CHEBI CHEBI:18127 CH$LINK: CHEMPDB N2P CH$LINK: KEGG C01672 CH$LINK: NIKKAJI J5.771A -CH$LINK: PUBCHEM SID:4816 +CH$LINK: PUBCHEM CID:273 CH$LINK: INCHIKEY VHRGRCVQAFMJIZ-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID5075448 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO002543.txt b/Keio_Univ/MSBNK-Keio_Univ-KO002543.txt index 83f4840f7c3..e7f9d1b81a5 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO002543.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO002543.txt @@ -18,7 +18,7 @@ CH$LINK: CHEBI CHEBI:18127 CH$LINK: CHEMPDB N2P CH$LINK: KEGG C01672 CH$LINK: NIKKAJI J5.771A -CH$LINK: PUBCHEM SID:4816 +CH$LINK: PUBCHEM CID:273 CH$LINK: INCHIKEY VHRGRCVQAFMJIZ-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID5075448 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO002544.txt b/Keio_Univ/MSBNK-Keio_Univ-KO002544.txt index ed913b9d5e2..50d36beb879 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO002544.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO002544.txt @@ -18,7 +18,7 @@ CH$LINK: CHEBI CHEBI:18127 CH$LINK: CHEMPDB N2P CH$LINK: KEGG C01672 CH$LINK: NIKKAJI J5.771A -CH$LINK: PUBCHEM SID:4816 +CH$LINK: PUBCHEM CID:273 CH$LINK: INCHIKEY VHRGRCVQAFMJIZ-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID5075448 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO002545.txt b/Keio_Univ/MSBNK-Keio_Univ-KO002545.txt index bc2f8289a81..d832d2c02eb 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO002545.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO002545.txt @@ -18,7 +18,7 @@ CH$LINK: CHEBI CHEBI:18127 CH$LINK: CHEMPDB N2P CH$LINK: KEGG C01672 CH$LINK: NIKKAJI J5.771A -CH$LINK: PUBCHEM SID:4816 +CH$LINK: PUBCHEM CID:273 CH$LINK: INCHIKEY VHRGRCVQAFMJIZ-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID5075448 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO002546.txt b/Keio_Univ/MSBNK-Keio_Univ-KO002546.txt index 48a4be81a11..6fa659fe8db 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO002546.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO002546.txt @@ -18,7 +18,7 @@ CH$LINK: CHEBI CHEBI:18127 CH$LINK: CHEMPDB N2P CH$LINK: KEGG C01672 CH$LINK: NIKKAJI J5.771A -CH$LINK: PUBCHEM SID:4816 +CH$LINK: PUBCHEM CID:273 CH$LINK: INCHIKEY VHRGRCVQAFMJIZ-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID5075448 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO002547.txt b/Keio_Univ/MSBNK-Keio_Univ-KO002547.txt index d81ac6c344e..62bc1a63245 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO002547.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO002547.txt @@ -15,7 +15,7 @@ CH$LINK: CAS 60-27-5 CH$LINK: CHEBI CHEBI:16737 CH$LINK: KEGG C00791 CH$LINK: NIKKAJI J1.397H -CH$LINK: PUBCHEM SID:4049 +CH$LINK: PUBCHEM CID:588 CH$LINK: INCHIKEY DDRJAANPRJIHGJ-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID8045987 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO002548.txt b/Keio_Univ/MSBNK-Keio_Univ-KO002548.txt index fc6a535a265..bef99b66f05 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO002548.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO002548.txt @@ -15,7 +15,7 @@ CH$LINK: CAS 60-27-5 CH$LINK: CHEBI CHEBI:16737 CH$LINK: KEGG C00791 CH$LINK: NIKKAJI J1.397H -CH$LINK: PUBCHEM SID:4049 +CH$LINK: PUBCHEM CID:588 CH$LINK: INCHIKEY DDRJAANPRJIHGJ-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID8045987 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO002549.txt b/Keio_Univ/MSBNK-Keio_Univ-KO002549.txt index 0e893e3b59c..eaee3037f74 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO002549.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO002549.txt @@ -15,7 +15,7 @@ CH$LINK: CAS 60-27-5 CH$LINK: CHEBI CHEBI:16737 CH$LINK: KEGG C00791 CH$LINK: NIKKAJI J1.397H -CH$LINK: PUBCHEM SID:4049 +CH$LINK: PUBCHEM CID:588 CH$LINK: INCHIKEY DDRJAANPRJIHGJ-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID8045987 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO002550.txt b/Keio_Univ/MSBNK-Keio_Univ-KO002550.txt index dfacdf70682..c118db0e871 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO002550.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO002550.txt @@ -15,7 +15,7 @@ CH$LINK: CAS 60-27-5 CH$LINK: CHEBI CHEBI:16737 CH$LINK: KEGG C00791 CH$LINK: NIKKAJI J1.397H -CH$LINK: PUBCHEM SID:4049 +CH$LINK: PUBCHEM CID:588 CH$LINK: INCHIKEY DDRJAANPRJIHGJ-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID8045987 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO002551.txt b/Keio_Univ/MSBNK-Keio_Univ-KO002551.txt index 5bcb870c560..e7132344e6e 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO002551.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO002551.txt @@ -15,7 +15,7 @@ CH$LINK: CAS 60-27-5 CH$LINK: CHEBI CHEBI:16737 CH$LINK: KEGG C00791 CH$LINK: NIKKAJI J1.397H -CH$LINK: PUBCHEM SID:4049 +CH$LINK: PUBCHEM CID:588 CH$LINK: INCHIKEY DDRJAANPRJIHGJ-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID8045987 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO002552.txt b/Keio_Univ/MSBNK-Keio_Univ-KO002552.txt index 9af0f91dd6e..8322ae3b277 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO002552.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO002552.txt @@ -13,7 +13,7 @@ CH$IUPAC: InChI=1S/C12H9N/c1-3-7-11-9(5-1)10-6-2-4-8-12(10)13-11/h1-8,13H CH$LINK: CAS 86-74-8 CH$LINK: KEGG C08060 CH$LINK: NIKKAJI J3.896B -CH$LINK: PUBCHEM SID:10260 +CH$LINK: PUBCHEM CID:6854 CH$LINK: INCHIKEY UJOBWOGCFQCDNV-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID4020248 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO002553.txt b/Keio_Univ/MSBNK-Keio_Univ-KO002553.txt index 0ec9ce47f2e..bd0b5b1980a 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO002553.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO002553.txt @@ -13,7 +13,7 @@ CH$IUPAC: InChI=1S/C12H9N/c1-3-7-11-9(5-1)10-6-2-4-8-12(10)13-11/h1-8,13H CH$LINK: CAS 86-74-8 CH$LINK: KEGG C08060 CH$LINK: NIKKAJI J3.896B -CH$LINK: PUBCHEM SID:10260 +CH$LINK: PUBCHEM CID:6854 CH$LINK: INCHIKEY UJOBWOGCFQCDNV-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID4020248 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO002554.txt b/Keio_Univ/MSBNK-Keio_Univ-KO002554.txt index b765b54eb71..0a9d830620a 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO002554.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO002554.txt @@ -13,7 +13,7 @@ CH$IUPAC: InChI=1S/C12H9N/c1-3-7-11-9(5-1)10-6-2-4-8-12(10)13-11/h1-8,13H CH$LINK: CAS 86-74-8 CH$LINK: KEGG C08060 CH$LINK: NIKKAJI J3.896B -CH$LINK: PUBCHEM SID:10260 +CH$LINK: PUBCHEM CID:6854 CH$LINK: INCHIKEY UJOBWOGCFQCDNV-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID4020248 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO002555.txt b/Keio_Univ/MSBNK-Keio_Univ-KO002555.txt index 7a1328a452b..4badab88d0a 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO002555.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO002555.txt @@ -13,7 +13,7 @@ CH$IUPAC: InChI=1S/C12H9N/c1-3-7-11-9(5-1)10-6-2-4-8-12(10)13-11/h1-8,13H CH$LINK: CAS 86-74-8 CH$LINK: KEGG C08060 CH$LINK: NIKKAJI J3.896B -CH$LINK: PUBCHEM SID:10260 +CH$LINK: PUBCHEM CID:6854 CH$LINK: INCHIKEY UJOBWOGCFQCDNV-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID4020248 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO002556.txt b/Keio_Univ/MSBNK-Keio_Univ-KO002556.txt index 9c43ae09d13..42273730818 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO002556.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO002556.txt @@ -13,7 +13,7 @@ CH$IUPAC: InChI=1S/C12H9N/c1-3-7-11-9(5-1)10-6-2-4-8-12(10)13-11/h1-8,13H CH$LINK: CAS 86-74-8 CH$LINK: KEGG C08060 CH$LINK: NIKKAJI J3.896B -CH$LINK: PUBCHEM SID:10260 +CH$LINK: PUBCHEM CID:6854 CH$LINK: INCHIKEY UJOBWOGCFQCDNV-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID4020248 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO002557.txt b/Keio_Univ/MSBNK-Keio_Univ-KO002557.txt index 864247e3533..81a3176e265 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO002557.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO002557.txt @@ -20,7 +20,7 @@ CH$LINK: CAS 541-15-1 CH$LINK: CHEBI CHEBI:16347 CH$LINK: KEGG C00318 CH$LINK: NIKKAJI J9.362I -CH$LINK: PUBCHEM SID:3612 +CH$LINK: PUBCHEM CID:10917 CH$LINK: INCHIKEY PHIQHXFUZVPYII-ZCFIWIBFSA-N CH$LINK: COMPTOX DTXSID4023208 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO002558.txt b/Keio_Univ/MSBNK-Keio_Univ-KO002558.txt index 446b0bc6165..16371f22c35 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO002558.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO002558.txt @@ -20,7 +20,7 @@ CH$LINK: CAS 541-15-1 CH$LINK: CHEBI CHEBI:16347 CH$LINK: KEGG C00318 CH$LINK: NIKKAJI J9.362I -CH$LINK: PUBCHEM SID:3612 +CH$LINK: PUBCHEM CID:10917 CH$LINK: INCHIKEY PHIQHXFUZVPYII-ZCFIWIBFSA-N CH$LINK: COMPTOX DTXSID4023208 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO002559.txt b/Keio_Univ/MSBNK-Keio_Univ-KO002559.txt index 4e964ad58da..7a905caf5e3 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO002559.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO002559.txt @@ -20,7 +20,7 @@ CH$LINK: CAS 541-15-1 CH$LINK: CHEBI CHEBI:16347 CH$LINK: KEGG C00318 CH$LINK: NIKKAJI J9.362I -CH$LINK: PUBCHEM SID:3612 +CH$LINK: PUBCHEM CID:10917 CH$LINK: INCHIKEY PHIQHXFUZVPYII-ZCFIWIBFSA-N CH$LINK: COMPTOX DTXSID4023208 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO002560.txt b/Keio_Univ/MSBNK-Keio_Univ-KO002560.txt index 28368c1c887..87bf70e1b13 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO002560.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO002560.txt @@ -20,7 +20,7 @@ CH$LINK: CAS 541-15-1 CH$LINK: CHEBI CHEBI:16347 CH$LINK: KEGG C00318 CH$LINK: NIKKAJI J9.362I -CH$LINK: PUBCHEM SID:3612 +CH$LINK: PUBCHEM CID:10917 CH$LINK: INCHIKEY PHIQHXFUZVPYII-ZCFIWIBFSA-N CH$LINK: COMPTOX DTXSID4023208 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO002561.txt b/Keio_Univ/MSBNK-Keio_Univ-KO002561.txt index 2357c166b19..2f4a4a4acda 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO002561.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO002561.txt @@ -20,7 +20,7 @@ CH$LINK: CAS 541-15-1 CH$LINK: CHEBI CHEBI:16347 CH$LINK: KEGG C00318 CH$LINK: NIKKAJI J9.362I -CH$LINK: PUBCHEM SID:3612 +CH$LINK: PUBCHEM CID:10917 CH$LINK: INCHIKEY PHIQHXFUZVPYII-ZCFIWIBFSA-N CH$LINK: COMPTOX DTXSID4023208 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO002562.txt b/Keio_Univ/MSBNK-Keio_Univ-KO002562.txt index 14036026316..c5d1ae8f9a0 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO002562.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO002562.txt @@ -13,7 +13,7 @@ CH$IUPAC: InChI=1S/C8H15NO4/c10-4-1-2-9-3-5(11)7(12)8(13)6(4)9/h4-8,10-13H,1-3H2 CH$LINK: CAS 79831-76-8 CH$LINK: KEGG C02256 CH$LINK: NIKKAJI J52.984B -CH$LINK: PUBCHEM SID:5318 +CH$LINK: PUBCHEM CID:54445 CH$LINK: INCHIKEY JDVVGAQPNNXQDW-TVNFTVLESA-N AC$INSTRUMENT: API3000, Applied Biosystems AC$INSTRUMENT_TYPE: LC-ESI-QQ diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO002563.txt b/Keio_Univ/MSBNK-Keio_Univ-KO002563.txt index 724081b75ca..990700c1d3f 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO002563.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO002563.txt @@ -13,7 +13,7 @@ CH$IUPAC: InChI=1S/C8H15NO4/c10-4-1-2-9-3-5(11)7(12)8(13)6(4)9/h4-8,10-13H,1-3H2 CH$LINK: CAS 79831-76-8 CH$LINK: KEGG C02256 CH$LINK: NIKKAJI J52.984B -CH$LINK: PUBCHEM SID:5318 +CH$LINK: PUBCHEM CID:54445 CH$LINK: INCHIKEY JDVVGAQPNNXQDW-TVNFTVLESA-N AC$INSTRUMENT: API3000, Applied Biosystems AC$INSTRUMENT_TYPE: LC-ESI-QQ diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO002564.txt b/Keio_Univ/MSBNK-Keio_Univ-KO002564.txt index e54a39e4965..db25936edce 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO002564.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO002564.txt @@ -13,7 +13,7 @@ CH$IUPAC: InChI=1S/C8H15NO4/c10-4-1-2-9-3-5(11)7(12)8(13)6(4)9/h4-8,10-13H,1-3H2 CH$LINK: CAS 79831-76-8 CH$LINK: KEGG C02256 CH$LINK: NIKKAJI J52.984B -CH$LINK: PUBCHEM SID:5318 +CH$LINK: PUBCHEM CID:54445 CH$LINK: INCHIKEY JDVVGAQPNNXQDW-TVNFTVLESA-N AC$INSTRUMENT: API3000, Applied Biosystems AC$INSTRUMENT_TYPE: LC-ESI-QQ diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO002565.txt b/Keio_Univ/MSBNK-Keio_Univ-KO002565.txt index f5053b679ee..a2fed860048 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO002565.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO002565.txt @@ -13,7 +13,7 @@ CH$IUPAC: InChI=1S/C8H15NO4/c10-4-1-2-9-3-5(11)7(12)8(13)6(4)9/h4-8,10-13H,1-3H2 CH$LINK: CAS 79831-76-8 CH$LINK: KEGG C02256 CH$LINK: NIKKAJI J52.984B -CH$LINK: PUBCHEM SID:5318 +CH$LINK: PUBCHEM CID:54445 CH$LINK: INCHIKEY JDVVGAQPNNXQDW-TVNFTVLESA-N AC$INSTRUMENT: API3000, Applied Biosystems AC$INSTRUMENT_TYPE: LC-ESI-QQ diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO002566.txt b/Keio_Univ/MSBNK-Keio_Univ-KO002566.txt index f282f98b4a0..3fd6fb006ca 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO002566.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO002566.txt @@ -13,7 +13,7 @@ CH$IUPAC: InChI=1S/C8H15NO4/c10-4-1-2-9-3-5(11)7(12)8(13)6(4)9/h4-8,10-13H,1-3H2 CH$LINK: CAS 79831-76-8 CH$LINK: KEGG C02256 CH$LINK: NIKKAJI J52.984B -CH$LINK: PUBCHEM SID:5318 +CH$LINK: PUBCHEM CID:54445 CH$LINK: INCHIKEY JDVVGAQPNNXQDW-TVNFTVLESA-N AC$INSTRUMENT: API3000, Applied Biosystems AC$INSTRUMENT_TYPE: LC-ESI-QQ diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO002572.txt b/Keio_Univ/MSBNK-Keio_Univ-KO002572.txt index 8fb3e85ea7f..65b4f56ce50 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO002572.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO002572.txt @@ -16,7 +16,7 @@ CH$LINK: CAS 56-88-2 CH$LINK: CHEBI CHEBI:17482 CH$LINK: KEGG C02291 CH$LINK: NIKKAJI J4.574H -CH$LINK: PUBCHEM SID:5347 +CH$LINK: PUBCHEM CID:439258 CH$LINK: INCHIKEY ILRYLPWNYFXEMH-WHFBIAKZSA-N CH$LINK: COMPTOX DTXSID20971384 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO002573.txt b/Keio_Univ/MSBNK-Keio_Univ-KO002573.txt index 501eab98721..b2bddad4ac1 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO002573.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO002573.txt @@ -16,7 +16,7 @@ CH$LINK: CAS 56-88-2 CH$LINK: CHEBI CHEBI:17482 CH$LINK: KEGG C02291 CH$LINK: NIKKAJI J4.574H -CH$LINK: PUBCHEM SID:5347 +CH$LINK: PUBCHEM CID:439258 CH$LINK: INCHIKEY ILRYLPWNYFXEMH-WHFBIAKZSA-N CH$LINK: COMPTOX DTXSID20971384 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO002574.txt b/Keio_Univ/MSBNK-Keio_Univ-KO002574.txt index 2368aed4fe4..ad60601a7cc 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO002574.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO002574.txt @@ -16,7 +16,7 @@ CH$LINK: CAS 56-88-2 CH$LINK: CHEBI CHEBI:17482 CH$LINK: KEGG C02291 CH$LINK: NIKKAJI J4.574H -CH$LINK: PUBCHEM SID:5347 +CH$LINK: PUBCHEM CID:439258 CH$LINK: INCHIKEY ILRYLPWNYFXEMH-WHFBIAKZSA-N CH$LINK: COMPTOX DTXSID20971384 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO002575.txt b/Keio_Univ/MSBNK-Keio_Univ-KO002575.txt index 7374cdf2833..bebb49db652 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO002575.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO002575.txt @@ -16,7 +16,7 @@ CH$LINK: CAS 56-88-2 CH$LINK: CHEBI CHEBI:17482 CH$LINK: KEGG C02291 CH$LINK: NIKKAJI J4.574H -CH$LINK: PUBCHEM SID:5347 +CH$LINK: PUBCHEM CID:439258 CH$LINK: INCHIKEY ILRYLPWNYFXEMH-WHFBIAKZSA-N CH$LINK: COMPTOX DTXSID20971384 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO002576.txt b/Keio_Univ/MSBNK-Keio_Univ-KO002576.txt index 82a281c0b5e..679f5be2123 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO002576.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO002576.txt @@ -16,7 +16,7 @@ CH$LINK: CAS 56-88-2 CH$LINK: CHEBI CHEBI:17482 CH$LINK: KEGG C02291 CH$LINK: NIKKAJI J4.574H -CH$LINK: PUBCHEM SID:5347 +CH$LINK: PUBCHEM CID:439258 CH$LINK: INCHIKEY ILRYLPWNYFXEMH-WHFBIAKZSA-N CH$LINK: COMPTOX DTXSID20971384 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO002582.txt b/Keio_Univ/MSBNK-Keio_Univ-KO002582.txt index 35e7022cf7d..d4379636107 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO002582.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO002582.txt @@ -20,7 +20,7 @@ CH$LINK: CAS 154-87-0 CH$LINK: CHEBI CHEBI:18290 CH$LINK: KEGG C00068 CH$LINK: NIKKAJI J237.475G -CH$LINK: PUBCHEM SID:3368 +CH$LINK: PUBCHEM CID:1132 CH$LINK: INCHIKEY AYEKOFBPNLCAJY-UHFFFAOYSA-O CH$LINK: COMPTOX DTXSID2048404 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO002583.txt b/Keio_Univ/MSBNK-Keio_Univ-KO002583.txt index 88290fb5b8b..3853d997a01 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO002583.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO002583.txt @@ -20,7 +20,7 @@ CH$LINK: CAS 154-87-0 CH$LINK: CHEBI CHEBI:18290 CH$LINK: KEGG C00068 CH$LINK: NIKKAJI J237.475G -CH$LINK: PUBCHEM SID:3368 +CH$LINK: PUBCHEM CID:1132 CH$LINK: INCHIKEY AYEKOFBPNLCAJY-UHFFFAOYSA-O CH$LINK: COMPTOX DTXSID2048404 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO002584.txt b/Keio_Univ/MSBNK-Keio_Univ-KO002584.txt index 7e32af261a6..b28ac9fddf0 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO002584.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO002584.txt @@ -20,7 +20,7 @@ CH$LINK: CAS 154-87-0 CH$LINK: CHEBI CHEBI:18290 CH$LINK: KEGG C00068 CH$LINK: NIKKAJI J237.475G -CH$LINK: PUBCHEM SID:3368 +CH$LINK: PUBCHEM CID:1132 CH$LINK: INCHIKEY AYEKOFBPNLCAJY-UHFFFAOYSA-O CH$LINK: COMPTOX DTXSID2048404 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO002585.txt b/Keio_Univ/MSBNK-Keio_Univ-KO002585.txt index 17a0130f7c6..d2ec54d2458 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO002585.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO002585.txt @@ -20,7 +20,7 @@ CH$LINK: CAS 154-87-0 CH$LINK: CHEBI CHEBI:18290 CH$LINK: KEGG C00068 CH$LINK: NIKKAJI J237.475G -CH$LINK: PUBCHEM SID:3368 +CH$LINK: PUBCHEM CID:1132 CH$LINK: INCHIKEY AYEKOFBPNLCAJY-UHFFFAOYSA-O CH$LINK: COMPTOX DTXSID2048404 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO002586.txt b/Keio_Univ/MSBNK-Keio_Univ-KO002586.txt index 5d0b9070117..1da0988203b 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO002586.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO002586.txt @@ -20,7 +20,7 @@ CH$LINK: CAS 154-87-0 CH$LINK: CHEBI CHEBI:18290 CH$LINK: KEGG C00068 CH$LINK: NIKKAJI J237.475G -CH$LINK: PUBCHEM SID:3368 +CH$LINK: PUBCHEM CID:1132 CH$LINK: INCHIKEY AYEKOFBPNLCAJY-UHFFFAOYSA-O CH$LINK: COMPTOX DTXSID2048404 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO002587.txt b/Keio_Univ/MSBNK-Keio_Univ-KO002587.txt index 76abfbba964..b4636890159 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO002587.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO002587.txt @@ -13,7 +13,7 @@ CH$IUPAC: InChI=1S/C6H4N2/c7-5-6-3-1-2-4-8-6/h1-4H CH$LINK: CAS 100-70-9 CH$LINK: KEGG C02221 CH$LINK: NIKKAJI J58.011B -CH$LINK: PUBCHEM SID:5286 +CH$LINK: PUBCHEM CID:7522 CH$LINK: INCHIKEY FFNVQNRYTPFDDP-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID9021843 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO002588.txt b/Keio_Univ/MSBNK-Keio_Univ-KO002588.txt index c3cbed66522..a74d25578ef 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO002588.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO002588.txt @@ -13,7 +13,7 @@ CH$IUPAC: InChI=1S/C6H4N2/c7-5-6-3-1-2-4-8-6/h1-4H CH$LINK: CAS 100-70-9 CH$LINK: KEGG C02221 CH$LINK: NIKKAJI J58.011B -CH$LINK: PUBCHEM SID:5286 +CH$LINK: PUBCHEM CID:7522 CH$LINK: INCHIKEY FFNVQNRYTPFDDP-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID9021843 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO002589.txt b/Keio_Univ/MSBNK-Keio_Univ-KO002589.txt index aa17264cf5b..0f0197cd646 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO002589.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO002589.txt @@ -13,7 +13,7 @@ CH$IUPAC: InChI=1S/C6H4N2/c7-5-6-3-1-2-4-8-6/h1-4H CH$LINK: CAS 100-70-9 CH$LINK: KEGG C02221 CH$LINK: NIKKAJI J58.011B -CH$LINK: PUBCHEM SID:5286 +CH$LINK: PUBCHEM CID:7522 CH$LINK: INCHIKEY FFNVQNRYTPFDDP-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID9021843 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO002590.txt b/Keio_Univ/MSBNK-Keio_Univ-KO002590.txt index 5d6e7bc4549..f69b324db8d 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO002590.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO002590.txt @@ -13,7 +13,7 @@ CH$IUPAC: InChI=1S/C6H4N2/c7-5-6-3-1-2-4-8-6/h1-4H CH$LINK: CAS 100-70-9 CH$LINK: KEGG C02221 CH$LINK: NIKKAJI J58.011B -CH$LINK: PUBCHEM SID:5286 +CH$LINK: PUBCHEM CID:7522 CH$LINK: INCHIKEY FFNVQNRYTPFDDP-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID9021843 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO002591.txt b/Keio_Univ/MSBNK-Keio_Univ-KO002591.txt index 27a8d959b5c..caa5589060a 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO002591.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO002591.txt @@ -13,7 +13,7 @@ CH$IUPAC: InChI=1S/C6H4N2/c7-5-6-3-1-2-4-8-6/h1-4H CH$LINK: CAS 100-70-9 CH$LINK: KEGG C02221 CH$LINK: NIKKAJI J58.011B -CH$LINK: PUBCHEM SID:5286 +CH$LINK: PUBCHEM CID:7522 CH$LINK: INCHIKEY FFNVQNRYTPFDDP-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID9021843 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO002592.txt b/Keio_Univ/MSBNK-Keio_Univ-KO002592.txt index f2a81d7f1fb..b06f4802928 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO002592.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO002592.txt @@ -15,7 +15,7 @@ CH$IUPAC: InChI=1S/C5H12N4O3/c6-3(4(10)11)1-2-12-9-5(7)8/h3H,1-2,6H2,(H,10,11)(H CH$LINK: CAS 543-38-4 CH$LINK: KEGG C00308 CH$LINK: NIKKAJI J9.236C -CH$LINK: PUBCHEM SID:3602 +CH$LINK: PUBCHEM CID:439202 CH$LINK: INCHIKEY FSBIGDSBMBYOPN-VKHMYHEASA-N CH$LINK: COMPTOX DTXSID5045041 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO002593.txt b/Keio_Univ/MSBNK-Keio_Univ-KO002593.txt index 29564d01af8..2cdb2ca33bf 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO002593.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO002593.txt @@ -15,7 +15,7 @@ CH$IUPAC: InChI=1S/C5H12N4O3/c6-3(4(10)11)1-2-12-9-5(7)8/h3H,1-2,6H2,(H,10,11)(H CH$LINK: CAS 543-38-4 CH$LINK: KEGG C00308 CH$LINK: NIKKAJI J9.236C -CH$LINK: PUBCHEM SID:3602 +CH$LINK: PUBCHEM CID:439202 CH$LINK: INCHIKEY FSBIGDSBMBYOPN-VKHMYHEASA-N CH$LINK: COMPTOX DTXSID5045041 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO002594.txt b/Keio_Univ/MSBNK-Keio_Univ-KO002594.txt index 11a773c09f7..a17521fad12 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO002594.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO002594.txt @@ -15,7 +15,7 @@ CH$IUPAC: InChI=1S/C5H12N4O3/c6-3(4(10)11)1-2-12-9-5(7)8/h3H,1-2,6H2,(H,10,11)(H CH$LINK: CAS 543-38-4 CH$LINK: KEGG C00308 CH$LINK: NIKKAJI J9.236C -CH$LINK: PUBCHEM SID:3602 +CH$LINK: PUBCHEM CID:439202 CH$LINK: INCHIKEY FSBIGDSBMBYOPN-VKHMYHEASA-N CH$LINK: COMPTOX DTXSID5045041 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO002595.txt b/Keio_Univ/MSBNK-Keio_Univ-KO002595.txt index 4bd84e6f9b3..9f6cffd84c5 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO002595.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO002595.txt @@ -15,7 +15,7 @@ CH$IUPAC: InChI=1S/C5H12N4O3/c6-3(4(10)11)1-2-12-9-5(7)8/h3H,1-2,6H2,(H,10,11)(H CH$LINK: CAS 543-38-4 CH$LINK: KEGG C00308 CH$LINK: NIKKAJI J9.236C -CH$LINK: PUBCHEM SID:3602 +CH$LINK: PUBCHEM CID:439202 CH$LINK: INCHIKEY FSBIGDSBMBYOPN-VKHMYHEASA-N CH$LINK: COMPTOX DTXSID5045041 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO002596.txt b/Keio_Univ/MSBNK-Keio_Univ-KO002596.txt index 2ede68f81b0..0ebe4b3d8e9 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO002596.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO002596.txt @@ -15,7 +15,7 @@ CH$IUPAC: InChI=1S/C5H12N4O3/c6-3(4(10)11)1-2-12-9-5(7)8/h3H,1-2,6H2,(H,10,11)(H CH$LINK: CAS 543-38-4 CH$LINK: KEGG C00308 CH$LINK: NIKKAJI J9.236C -CH$LINK: PUBCHEM SID:3602 +CH$LINK: PUBCHEM CID:439202 CH$LINK: INCHIKEY FSBIGDSBMBYOPN-VKHMYHEASA-N CH$LINK: COMPTOX DTXSID5045041 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO002597.txt b/Keio_Univ/MSBNK-Keio_Univ-KO002597.txt index cf5fbbffc66..841201ac43c 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO002597.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO002597.txt @@ -15,7 +15,7 @@ CH$LINK: CAS 108-91-8 CH$LINK: CHEBI CHEBI:15773 CH$LINK: KEGG C00571 CH$LINK: NIKKAJI J2.870C -CH$LINK: PUBCHEM SID:3850 +CH$LINK: PUBCHEM CID:7965 CH$LINK: INCHIKEY PAFZNILMFXTMIY-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID1023996 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO002598.txt b/Keio_Univ/MSBNK-Keio_Univ-KO002598.txt index 94ee9701441..7f0c50f6d34 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO002598.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO002598.txt @@ -15,7 +15,7 @@ CH$LINK: CAS 108-91-8 CH$LINK: CHEBI CHEBI:15773 CH$LINK: KEGG C00571 CH$LINK: NIKKAJI J2.870C -CH$LINK: PUBCHEM SID:3850 +CH$LINK: PUBCHEM CID:7965 CH$LINK: INCHIKEY PAFZNILMFXTMIY-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID1023996 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO002599.txt b/Keio_Univ/MSBNK-Keio_Univ-KO002599.txt index b88a609e585..978ccd42dda 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO002599.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO002599.txt @@ -15,7 +15,7 @@ CH$LINK: CAS 108-91-8 CH$LINK: CHEBI CHEBI:15773 CH$LINK: KEGG C00571 CH$LINK: NIKKAJI J2.870C -CH$LINK: PUBCHEM SID:3850 +CH$LINK: PUBCHEM CID:7965 CH$LINK: INCHIKEY PAFZNILMFXTMIY-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID1023996 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO002600.txt b/Keio_Univ/MSBNK-Keio_Univ-KO002600.txt index 63891b6ff93..8cb3b2b979d 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO002600.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO002600.txt @@ -15,7 +15,7 @@ CH$LINK: CAS 108-91-8 CH$LINK: CHEBI CHEBI:15773 CH$LINK: KEGG C00571 CH$LINK: NIKKAJI J2.870C -CH$LINK: PUBCHEM SID:3850 +CH$LINK: PUBCHEM CID:7965 CH$LINK: INCHIKEY PAFZNILMFXTMIY-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID1023996 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO002601.txt b/Keio_Univ/MSBNK-Keio_Univ-KO002601.txt index 79c3448ab77..dd20720a4fa 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO002601.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO002601.txt @@ -15,7 +15,7 @@ CH$LINK: CAS 108-91-8 CH$LINK: CHEBI CHEBI:15773 CH$LINK: KEGG C00571 CH$LINK: NIKKAJI J2.870C -CH$LINK: PUBCHEM SID:3850 +CH$LINK: PUBCHEM CID:7965 CH$LINK: INCHIKEY PAFZNILMFXTMIY-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID1023996 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO002602.txt b/Keio_Univ/MSBNK-Keio_Univ-KO002602.txt index 8e6924ee805..2c589be8567 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO002602.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO002602.txt @@ -15,7 +15,7 @@ CH$IUPAC: InChI=1S/C9H13N3O5/c10-5-1-2-12(9(16)11-5)8-7(15)6(14)4(3-13)17-8/h1-2 CH$LINK: CAS 147-94-4 CH$LINK: KEGG C02961 CH$LINK: NIKKAJI J2.958K -CH$LINK: PUBCHEM SID:5877 +CH$LINK: PUBCHEM CID:6253 CH$LINK: INCHIKEY UHDGCWIWMRVCDJ-CCXZUQQUSA-N CH$LINK: COMPTOX DTXSID3022877 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO002603.txt b/Keio_Univ/MSBNK-Keio_Univ-KO002603.txt index 47f8fe860b3..d188708a7c0 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO002603.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO002603.txt @@ -15,7 +15,7 @@ CH$IUPAC: InChI=1S/C9H13N3O5/c10-5-1-2-12(9(16)11-5)8-7(15)6(14)4(3-13)17-8/h1-2 CH$LINK: CAS 147-94-4 CH$LINK: KEGG C02961 CH$LINK: NIKKAJI J2.958K -CH$LINK: PUBCHEM SID:5877 +CH$LINK: PUBCHEM CID:6253 CH$LINK: INCHIKEY UHDGCWIWMRVCDJ-CCXZUQQUSA-N CH$LINK: COMPTOX DTXSID3022877 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO002604.txt b/Keio_Univ/MSBNK-Keio_Univ-KO002604.txt index 2e2983e0f9b..b998d191584 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO002604.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO002604.txt @@ -15,7 +15,7 @@ CH$IUPAC: InChI=1S/C9H13N3O5/c10-5-1-2-12(9(16)11-5)8-7(15)6(14)4(3-13)17-8/h1-2 CH$LINK: CAS 147-94-4 CH$LINK: KEGG C02961 CH$LINK: NIKKAJI J2.958K -CH$LINK: PUBCHEM SID:5877 +CH$LINK: PUBCHEM CID:6253 CH$LINK: INCHIKEY UHDGCWIWMRVCDJ-CCXZUQQUSA-N CH$LINK: COMPTOX DTXSID3022877 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO002605.txt b/Keio_Univ/MSBNK-Keio_Univ-KO002605.txt index 84c38ef7674..c5a665cd236 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO002605.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO002605.txt @@ -15,7 +15,7 @@ CH$IUPAC: InChI=1S/C9H13N3O5/c10-5-1-2-12(9(16)11-5)8-7(15)6(14)4(3-13)17-8/h1-2 CH$LINK: CAS 147-94-4 CH$LINK: KEGG C02961 CH$LINK: NIKKAJI J2.958K -CH$LINK: PUBCHEM SID:5877 +CH$LINK: PUBCHEM CID:6253 CH$LINK: INCHIKEY UHDGCWIWMRVCDJ-CCXZUQQUSA-N CH$LINK: COMPTOX DTXSID3022877 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO002606.txt b/Keio_Univ/MSBNK-Keio_Univ-KO002606.txt index cf1eb9e1d49..f57c2ba5276 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO002606.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO002606.txt @@ -15,7 +15,7 @@ CH$IUPAC: InChI=1S/C9H13N3O5/c10-5-1-2-12(9(16)11-5)8-7(15)6(14)4(3-13)17-8/h1-2 CH$LINK: CAS 147-94-4 CH$LINK: KEGG C02961 CH$LINK: NIKKAJI J2.958K -CH$LINK: PUBCHEM SID:5877 +CH$LINK: PUBCHEM CID:6253 CH$LINK: INCHIKEY UHDGCWIWMRVCDJ-CCXZUQQUSA-N CH$LINK: COMPTOX DTXSID3022877 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO002607.txt b/Keio_Univ/MSBNK-Keio_Univ-KO002607.txt index ee8b92dd190..aad67be572c 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO002607.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO002607.txt @@ -13,7 +13,7 @@ CH$SMILES: N[C@H](C(O)=O)CSS(O)(=O)=O CH$IUPAC: InChI=1S/C3H7NO5S2/c4-2(3(5)6)1-10-11(7,8)9/h2H,1,4H2,(H,5,6)(H,7,8,9)/t2-/m0/s1 CH$LINK: CAS 1637-71-4 CH$LINK: KEGG C05824 -CH$LINK: PUBCHEM SID:8119 +CH$LINK: PUBCHEM CID:115015 CH$LINK: INCHIKEY NOKPBJYHPHHWAN-REOHCLBHSA-N CH$LINK: COMPTOX DTXSID20167649 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO002608.txt b/Keio_Univ/MSBNK-Keio_Univ-KO002608.txt index 3cd142730e7..4d6db03dda4 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO002608.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO002608.txt @@ -13,7 +13,7 @@ CH$SMILES: N[C@H](C(O)=O)CSS(O)(=O)=O CH$IUPAC: InChI=1S/C3H7NO5S2/c4-2(3(5)6)1-10-11(7,8)9/h2H,1,4H2,(H,5,6)(H,7,8,9)/t2-/m0/s1 CH$LINK: CAS 1637-71-4 CH$LINK: KEGG C05824 -CH$LINK: PUBCHEM SID:8119 +CH$LINK: PUBCHEM CID:115015 CH$LINK: INCHIKEY NOKPBJYHPHHWAN-REOHCLBHSA-N CH$LINK: COMPTOX DTXSID20167649 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO002609.txt b/Keio_Univ/MSBNK-Keio_Univ-KO002609.txt index 45a3fa6007f..313493296e3 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO002609.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO002609.txt @@ -13,7 +13,7 @@ CH$SMILES: N[C@H](C(O)=O)CSS(O)(=O)=O CH$IUPAC: InChI=1S/C3H7NO5S2/c4-2(3(5)6)1-10-11(7,8)9/h2H,1,4H2,(H,5,6)(H,7,8,9)/t2-/m0/s1 CH$LINK: CAS 1637-71-4 CH$LINK: KEGG C05824 -CH$LINK: PUBCHEM SID:8119 +CH$LINK: PUBCHEM CID:115015 CH$LINK: INCHIKEY NOKPBJYHPHHWAN-REOHCLBHSA-N CH$LINK: COMPTOX DTXSID20167649 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO002610.txt b/Keio_Univ/MSBNK-Keio_Univ-KO002610.txt index 744febb053b..91d757989c1 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO002610.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO002610.txt @@ -13,7 +13,7 @@ CH$SMILES: N[C@H](C(O)=O)CSS(O)(=O)=O CH$IUPAC: InChI=1S/C3H7NO5S2/c4-2(3(5)6)1-10-11(7,8)9/h2H,1,4H2,(H,5,6)(H,7,8,9)/t2-/m0/s1 CH$LINK: CAS 1637-71-4 CH$LINK: KEGG C05824 -CH$LINK: PUBCHEM SID:8119 +CH$LINK: PUBCHEM CID:115015 CH$LINK: INCHIKEY NOKPBJYHPHHWAN-REOHCLBHSA-N CH$LINK: COMPTOX DTXSID20167649 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO002611.txt b/Keio_Univ/MSBNK-Keio_Univ-KO002611.txt index adbef7a37b9..76ad74975cf 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO002611.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO002611.txt @@ -13,7 +13,7 @@ CH$SMILES: N[C@H](C(O)=O)CSS(O)(=O)=O CH$IUPAC: InChI=1S/C3H7NO5S2/c4-2(3(5)6)1-10-11(7,8)9/h2H,1,4H2,(H,5,6)(H,7,8,9)/t2-/m0/s1 CH$LINK: CAS 1637-71-4 CH$LINK: KEGG C05824 -CH$LINK: PUBCHEM SID:8119 +CH$LINK: PUBCHEM CID:115015 CH$LINK: INCHIKEY NOKPBJYHPHHWAN-REOHCLBHSA-N CH$LINK: COMPTOX DTXSID20167649 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO002612.txt b/Keio_Univ/MSBNK-Keio_Univ-KO002612.txt index 79e9b72f744..b515950e49b 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO002612.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO002612.txt @@ -13,7 +13,7 @@ CH$IUPAC: InChI=1S/C17H18FN3O3/c18-13-7-11-14(8-15(13)20-5-3-19-4-6-20)21(10-1-2 CH$LINK: CAS 85721-33-1 CH$LINK: KEGG C05349 CH$LINK: NIKKAJI J21.732H -CH$LINK: PUBCHEM SID:7727 +CH$LINK: PUBCHEM CID:2764 CH$LINK: INCHIKEY MYSWGUAQZAJSOK-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID8022824 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO002613.txt b/Keio_Univ/MSBNK-Keio_Univ-KO002613.txt index 695f49b8c59..ee8b43011a6 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO002613.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO002613.txt @@ -13,7 +13,7 @@ CH$IUPAC: InChI=1S/C17H18FN3O3/c18-13-7-11-14(8-15(13)20-5-3-19-4-6-20)21(10-1-2 CH$LINK: CAS 85721-33-1 CH$LINK: KEGG C05349 CH$LINK: NIKKAJI J21.732H -CH$LINK: PUBCHEM SID:7727 +CH$LINK: PUBCHEM CID:2764 CH$LINK: INCHIKEY MYSWGUAQZAJSOK-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID8022824 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO002614.txt b/Keio_Univ/MSBNK-Keio_Univ-KO002614.txt index 9afc10d573d..6a94ce6a819 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO002614.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO002614.txt @@ -13,7 +13,7 @@ CH$IUPAC: InChI=1S/C17H18FN3O3/c18-13-7-11-14(8-15(13)20-5-3-19-4-6-20)21(10-1-2 CH$LINK: CAS 85721-33-1 CH$LINK: KEGG C05349 CH$LINK: NIKKAJI J21.732H -CH$LINK: PUBCHEM SID:7727 +CH$LINK: PUBCHEM CID:2764 CH$LINK: INCHIKEY MYSWGUAQZAJSOK-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID8022824 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO002615.txt b/Keio_Univ/MSBNK-Keio_Univ-KO002615.txt index 3992e42482b..98e394aade7 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO002615.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO002615.txt @@ -13,7 +13,7 @@ CH$IUPAC: InChI=1S/C17H18FN3O3/c18-13-7-11-14(8-15(13)20-5-3-19-4-6-20)21(10-1-2 CH$LINK: CAS 85721-33-1 CH$LINK: KEGG C05349 CH$LINK: NIKKAJI J21.732H -CH$LINK: PUBCHEM SID:7727 +CH$LINK: PUBCHEM CID:2764 CH$LINK: INCHIKEY MYSWGUAQZAJSOK-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID8022824 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO002616.txt b/Keio_Univ/MSBNK-Keio_Univ-KO002616.txt index 1d199b58882..4b47358058d 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO002616.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO002616.txt @@ -13,7 +13,7 @@ CH$IUPAC: InChI=1S/C17H18FN3O3/c18-13-7-11-14(8-15(13)20-5-3-19-4-6-20)21(10-1-2 CH$LINK: CAS 85721-33-1 CH$LINK: KEGG C05349 CH$LINK: NIKKAJI J21.732H -CH$LINK: PUBCHEM SID:7727 +CH$LINK: PUBCHEM CID:2764 CH$LINK: INCHIKEY MYSWGUAQZAJSOK-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID8022824 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO002617.txt b/Keio_Univ/MSBNK-Keio_Univ-KO002617.txt index 762b7af63c0..1383c276c57 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO002617.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO002617.txt @@ -14,7 +14,7 @@ CH$IUPAC: InChI=1S/C9H9N3O2/c1-14-9(13)12-8-10-6-4-2-3-5-7(6)11-8/h2-5H,1H3,(H2, CH$LINK: CAS 10605-21-7 CH$LINK: KEGG C10897 CH$LINK: NIKKAJI J3.120H -CH$LINK: PUBCHEM SID:13080 +CH$LINK: PUBCHEM CID:25429 CH$LINK: INCHIKEY TWFZGCMQGLPBSX-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID4024729 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO002618.txt b/Keio_Univ/MSBNK-Keio_Univ-KO002618.txt index a373e5d3842..6a4b57fc4c8 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO002618.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO002618.txt @@ -14,7 +14,7 @@ CH$IUPAC: InChI=1S/C9H9N3O2/c1-14-9(13)12-8-10-6-4-2-3-5-7(6)11-8/h2-5H,1H3,(H2, CH$LINK: CAS 10605-21-7 CH$LINK: KEGG C10897 CH$LINK: NIKKAJI J3.120H -CH$LINK: PUBCHEM SID:13080 +CH$LINK: PUBCHEM CID:25429 CH$LINK: INCHIKEY TWFZGCMQGLPBSX-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID4024729 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO002619.txt b/Keio_Univ/MSBNK-Keio_Univ-KO002619.txt index da7183a6e40..cdb8c545499 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO002619.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO002619.txt @@ -14,7 +14,7 @@ CH$IUPAC: InChI=1S/C9H9N3O2/c1-14-9(13)12-8-10-6-4-2-3-5-7(6)11-8/h2-5H,1H3,(H2, CH$LINK: CAS 10605-21-7 CH$LINK: KEGG C10897 CH$LINK: NIKKAJI J3.120H -CH$LINK: PUBCHEM SID:13080 +CH$LINK: PUBCHEM CID:25429 CH$LINK: INCHIKEY TWFZGCMQGLPBSX-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID4024729 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO002620.txt b/Keio_Univ/MSBNK-Keio_Univ-KO002620.txt index fad01dafb78..911034b303e 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO002620.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO002620.txt @@ -14,7 +14,7 @@ CH$IUPAC: InChI=1S/C9H9N3O2/c1-14-9(13)12-8-10-6-4-2-3-5-7(6)11-8/h2-5H,1H3,(H2, CH$LINK: CAS 10605-21-7 CH$LINK: KEGG C10897 CH$LINK: NIKKAJI J3.120H -CH$LINK: PUBCHEM SID:13080 +CH$LINK: PUBCHEM CID:25429 CH$LINK: INCHIKEY TWFZGCMQGLPBSX-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID4024729 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO002621.txt b/Keio_Univ/MSBNK-Keio_Univ-KO002621.txt index 2bd29ecba3f..2d0bf19c185 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO002621.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO002621.txt @@ -14,7 +14,7 @@ CH$IUPAC: InChI=1S/C9H9N3O2/c1-14-9(13)12-8-10-6-4-2-3-5-7(6)11-8/h2-5H,1H3,(H2, CH$LINK: CAS 10605-21-7 CH$LINK: KEGG C10897 CH$LINK: NIKKAJI J3.120H -CH$LINK: PUBCHEM SID:13080 +CH$LINK: PUBCHEM CID:25429 CH$LINK: INCHIKEY TWFZGCMQGLPBSX-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID4024729 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO002622.txt b/Keio_Univ/MSBNK-Keio_Univ-KO002622.txt index 4159f58be66..a50a7ed96a9 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO002622.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO002622.txt @@ -13,7 +13,7 @@ CH$IUPAC: InChI=1S/C14H15N3/c1-10-9-13(11-7-8-11)17-14(15-10)16-12-5-3-2-4-6-12/ CH$LINK: CAS 121552-61-2 CH$LINK: KEGG C10914 CH$LINK: NIKKAJI J682.437D -CH$LINK: PUBCHEM SID:13097 +CH$LINK: PUBCHEM CID:86367 CH$LINK: INCHIKEY HAORKNGNJCEJBX-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID1032359 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO002623.txt b/Keio_Univ/MSBNK-Keio_Univ-KO002623.txt index 16a000b42b3..fd1817a47c3 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO002623.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO002623.txt @@ -13,7 +13,7 @@ CH$IUPAC: InChI=1S/C14H15N3/c1-10-9-13(11-7-8-11)17-14(15-10)16-12-5-3-2-4-6-12/ CH$LINK: CAS 121552-61-2 CH$LINK: KEGG C10914 CH$LINK: NIKKAJI J682.437D -CH$LINK: PUBCHEM SID:13097 +CH$LINK: PUBCHEM CID:86367 CH$LINK: INCHIKEY HAORKNGNJCEJBX-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID1032359 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO002624.txt b/Keio_Univ/MSBNK-Keio_Univ-KO002624.txt index 4c6c992d150..be4708d6a9f 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO002624.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO002624.txt @@ -13,7 +13,7 @@ CH$IUPAC: InChI=1S/C14H15N3/c1-10-9-13(11-7-8-11)17-14(15-10)16-12-5-3-2-4-6-12/ CH$LINK: CAS 121552-61-2 CH$LINK: KEGG C10914 CH$LINK: NIKKAJI J682.437D -CH$LINK: PUBCHEM SID:13097 +CH$LINK: PUBCHEM CID:86367 CH$LINK: INCHIKEY HAORKNGNJCEJBX-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID1032359 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO002625.txt b/Keio_Univ/MSBNK-Keio_Univ-KO002625.txt index cc17adcce7e..4e121da7f1b 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO002625.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO002625.txt @@ -13,7 +13,7 @@ CH$IUPAC: InChI=1S/C14H15N3/c1-10-9-13(11-7-8-11)17-14(15-10)16-12-5-3-2-4-6-12/ CH$LINK: CAS 121552-61-2 CH$LINK: KEGG C10914 CH$LINK: NIKKAJI J682.437D -CH$LINK: PUBCHEM SID:13097 +CH$LINK: PUBCHEM CID:86367 CH$LINK: INCHIKEY HAORKNGNJCEJBX-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID1032359 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO002626.txt b/Keio_Univ/MSBNK-Keio_Univ-KO002626.txt index ac0d8898fda..698857ad57a 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO002626.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO002626.txt @@ -13,7 +13,7 @@ CH$IUPAC: InChI=1S/C14H15N3/c1-10-9-13(11-7-8-11)17-14(15-10)16-12-5-3-2-4-6-12/ CH$LINK: CAS 121552-61-2 CH$LINK: KEGG C10914 CH$LINK: NIKKAJI J682.437D -CH$LINK: PUBCHEM SID:13097 +CH$LINK: PUBCHEM CID:86367 CH$LINK: INCHIKEY HAORKNGNJCEJBX-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID1032359 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO002642.txt b/Keio_Univ/MSBNK-Keio_Univ-KO002642.txt index bc808fb0817..16d938b101e 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO002642.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO002642.txt @@ -16,7 +16,7 @@ CH$SMILES: OC(=O)[C@@H](COP(O)(O)=O)OP(O)(O)=O CH$IUPAC: InChI=1S/C3H8O10P2/c4-3(5)2(13-15(9,10)11)1-12-14(6,7)8/h2H,1H2,(H,4,5)(H2,6,7,8)(H2,9,10,11)/t2-/m1/s1 CH$LINK: CHEBI CHEBI:17720 CH$LINK: KEGG C01159 -CH$LINK: PUBCHEM SID:4387 +CH$LINK: PUBCHEM CID:186004 CH$LINK: INCHIKEY XOHUEYCVLUUEJJ-UWTATZPHSA-N AC$INSTRUMENT: API3000, Applied Biosystems AC$INSTRUMENT_TYPE: LC-ESI-QQ diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO002643.txt b/Keio_Univ/MSBNK-Keio_Univ-KO002643.txt index 2bd74340fab..87db4c029f3 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO002643.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO002643.txt @@ -16,7 +16,7 @@ CH$SMILES: OC(=O)[C@@H](COP(O)(O)=O)OP(O)(O)=O CH$IUPAC: InChI=1S/C3H8O10P2/c4-3(5)2(13-15(9,10)11)1-12-14(6,7)8/h2H,1H2,(H,4,5)(H2,6,7,8)(H2,9,10,11)/t2-/m1/s1 CH$LINK: CHEBI CHEBI:17720 CH$LINK: KEGG C01159 -CH$LINK: PUBCHEM SID:4387 +CH$LINK: PUBCHEM CID:186004 CH$LINK: INCHIKEY XOHUEYCVLUUEJJ-UWTATZPHSA-N AC$INSTRUMENT: API3000, Applied Biosystems AC$INSTRUMENT_TYPE: LC-ESI-QQ diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO002644.txt b/Keio_Univ/MSBNK-Keio_Univ-KO002644.txt index b8cdaeaee9a..a1037d8732a 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO002644.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO002644.txt @@ -16,7 +16,7 @@ CH$SMILES: OC(=O)[C@@H](COP(O)(O)=O)OP(O)(O)=O CH$IUPAC: InChI=1S/C3H8O10P2/c4-3(5)2(13-15(9,10)11)1-12-14(6,7)8/h2H,1H2,(H,4,5)(H2,6,7,8)(H2,9,10,11)/t2-/m1/s1 CH$LINK: CHEBI CHEBI:17720 CH$LINK: KEGG C01159 -CH$LINK: PUBCHEM SID:4387 +CH$LINK: PUBCHEM CID:186004 CH$LINK: INCHIKEY XOHUEYCVLUUEJJ-UWTATZPHSA-N AC$INSTRUMENT: API3000, Applied Biosystems AC$INSTRUMENT_TYPE: LC-ESI-QQ diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO002645.txt b/Keio_Univ/MSBNK-Keio_Univ-KO002645.txt index 9c6324f6ad1..d91fe9c5852 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO002645.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO002645.txt @@ -16,7 +16,7 @@ CH$SMILES: OC(=O)[C@@H](COP(O)(O)=O)OP(O)(O)=O CH$IUPAC: InChI=1S/C3H8O10P2/c4-3(5)2(13-15(9,10)11)1-12-14(6,7)8/h2H,1H2,(H,4,5)(H2,6,7,8)(H2,9,10,11)/t2-/m1/s1 CH$LINK: CHEBI CHEBI:17720 CH$LINK: KEGG C01159 -CH$LINK: PUBCHEM SID:4387 +CH$LINK: PUBCHEM CID:186004 CH$LINK: INCHIKEY XOHUEYCVLUUEJJ-UWTATZPHSA-N AC$INSTRUMENT: API3000, Applied Biosystems AC$INSTRUMENT_TYPE: LC-ESI-QQ diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO002646.txt b/Keio_Univ/MSBNK-Keio_Univ-KO002646.txt index a6abaabaf74..66df347ddd4 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO002646.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO002646.txt @@ -16,7 +16,7 @@ CH$SMILES: OC(=O)[C@@H](COP(O)(O)=O)OP(O)(O)=O CH$IUPAC: InChI=1S/C3H8O10P2/c4-3(5)2(13-15(9,10)11)1-12-14(6,7)8/h2H,1H2,(H,4,5)(H2,6,7,8)(H2,9,10,11)/t2-/m1/s1 CH$LINK: CHEBI CHEBI:17720 CH$LINK: KEGG C01159 -CH$LINK: PUBCHEM SID:4387 +CH$LINK: PUBCHEM CID:186004 CH$LINK: INCHIKEY XOHUEYCVLUUEJJ-UWTATZPHSA-N AC$INSTRUMENT: API3000, Applied Biosystems AC$INSTRUMENT_TYPE: LC-ESI-QQ diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO002647.txt b/Keio_Univ/MSBNK-Keio_Univ-KO002647.txt index 1b5661a3370..cd1ccc14c3b 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO002647.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO002647.txt @@ -16,7 +16,7 @@ CH$LINK: CAS 121-69-7 CH$LINK: CHEBI CHEBI:16269 CH$LINK: KEGG C02846 CH$LINK: NIKKAJI J2.488K -CH$LINK: PUBCHEM SID:5785 +CH$LINK: PUBCHEM CID:949 CH$LINK: INCHIKEY JLTDJTHDQAWBAV-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID2020507 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO002648.txt b/Keio_Univ/MSBNK-Keio_Univ-KO002648.txt index 88c45a339a2..74553ef676a 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO002648.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO002648.txt @@ -16,7 +16,7 @@ CH$LINK: CAS 121-69-7 CH$LINK: CHEBI CHEBI:16269 CH$LINK: KEGG C02846 CH$LINK: NIKKAJI J2.488K -CH$LINK: PUBCHEM SID:5785 +CH$LINK: PUBCHEM CID:949 CH$LINK: INCHIKEY JLTDJTHDQAWBAV-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID2020507 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO002649.txt b/Keio_Univ/MSBNK-Keio_Univ-KO002649.txt index d577a907af5..4b93d490bd3 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO002649.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO002649.txt @@ -16,7 +16,7 @@ CH$LINK: CAS 121-69-7 CH$LINK: CHEBI CHEBI:16269 CH$LINK: KEGG C02846 CH$LINK: NIKKAJI J2.488K -CH$LINK: PUBCHEM SID:5785 +CH$LINK: PUBCHEM CID:949 CH$LINK: INCHIKEY JLTDJTHDQAWBAV-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID2020507 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO002650.txt b/Keio_Univ/MSBNK-Keio_Univ-KO002650.txt index 88076af01aa..d2ea5065a62 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO002650.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO002650.txt @@ -16,7 +16,7 @@ CH$LINK: CAS 121-69-7 CH$LINK: CHEBI CHEBI:16269 CH$LINK: KEGG C02846 CH$LINK: NIKKAJI J2.488K -CH$LINK: PUBCHEM SID:5785 +CH$LINK: PUBCHEM CID:949 CH$LINK: INCHIKEY JLTDJTHDQAWBAV-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID2020507 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO002651.txt b/Keio_Univ/MSBNK-Keio_Univ-KO002651.txt index 56425581c4b..eea590ea475 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO002651.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO002651.txt @@ -16,7 +16,7 @@ CH$LINK: CAS 121-69-7 CH$LINK: CHEBI CHEBI:16269 CH$LINK: KEGG C02846 CH$LINK: NIKKAJI J2.488K -CH$LINK: PUBCHEM SID:5785 +CH$LINK: PUBCHEM CID:949 CH$LINK: INCHIKEY JLTDJTHDQAWBAV-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID2020507 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO002652.txt b/Keio_Univ/MSBNK-Keio_Univ-KO002652.txt index d07383edd51..9853444faf2 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO002652.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO002652.txt @@ -14,7 +14,7 @@ CH$LINK: CAS 111-42-2 CH$LINK: CHEBI CHEBI:28123 CH$LINK: KEGG C06772 CH$LINK: NIKKAJI J808G -CH$LINK: PUBCHEM SID:8992 +CH$LINK: PUBCHEM CID:8113 CH$LINK: INCHIKEY ZBCBWPMODOFKDW-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID3021932 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO002653.txt b/Keio_Univ/MSBNK-Keio_Univ-KO002653.txt index 63c24b829b8..03359cf3cdb 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO002653.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO002653.txt @@ -14,7 +14,7 @@ CH$LINK: CAS 111-42-2 CH$LINK: CHEBI CHEBI:28123 CH$LINK: KEGG C06772 CH$LINK: NIKKAJI J808G -CH$LINK: PUBCHEM SID:8992 +CH$LINK: PUBCHEM CID:8113 CH$LINK: INCHIKEY ZBCBWPMODOFKDW-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID3021932 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO002654.txt b/Keio_Univ/MSBNK-Keio_Univ-KO002654.txt index 95d6c9ca235..45af82a5bbd 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO002654.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO002654.txt @@ -14,7 +14,7 @@ CH$LINK: CAS 111-42-2 CH$LINK: CHEBI CHEBI:28123 CH$LINK: KEGG C06772 CH$LINK: NIKKAJI J808G -CH$LINK: PUBCHEM SID:8992 +CH$LINK: PUBCHEM CID:8113 CH$LINK: INCHIKEY ZBCBWPMODOFKDW-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID3021932 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO002655.txt b/Keio_Univ/MSBNK-Keio_Univ-KO002655.txt index 2e0f039b43d..fb07dfe1db0 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO002655.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO002655.txt @@ -14,7 +14,7 @@ CH$LINK: CAS 111-42-2 CH$LINK: CHEBI CHEBI:28123 CH$LINK: KEGG C06772 CH$LINK: NIKKAJI J808G -CH$LINK: PUBCHEM SID:8992 +CH$LINK: PUBCHEM CID:8113 CH$LINK: INCHIKEY ZBCBWPMODOFKDW-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID3021932 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO002656.txt b/Keio_Univ/MSBNK-Keio_Univ-KO002656.txt index 3b724a4498c..1b9b62db9a7 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO002656.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO002656.txt @@ -14,7 +14,7 @@ CH$LINK: CAS 111-42-2 CH$LINK: CHEBI CHEBI:28123 CH$LINK: KEGG C06772 CH$LINK: NIKKAJI J808G -CH$LINK: PUBCHEM SID:8992 +CH$LINK: PUBCHEM CID:8113 CH$LINK: INCHIKEY ZBCBWPMODOFKDW-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID3021932 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO002657.txt b/Keio_Univ/MSBNK-Keio_Univ-KO002657.txt index fb724918ec0..ef0f8b9e242 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO002657.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO002657.txt @@ -17,7 +17,7 @@ CH$LINK: CAS 109-76-2 CH$LINK: CHEBI CHEBI:15725 CH$LINK: KEGG C00986 CH$LINK: NIKKAJI J1.969K -CH$LINK: PUBCHEM SID:4233 +CH$LINK: PUBCHEM CID:428 CH$LINK: INCHIKEY XFNJVJPLKCPIBV-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID1021906 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO002658.txt b/Keio_Univ/MSBNK-Keio_Univ-KO002658.txt index e4cd9c098ad..df192408642 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO002658.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO002658.txt @@ -17,7 +17,7 @@ CH$LINK: CAS 109-76-2 CH$LINK: CHEBI CHEBI:15725 CH$LINK: KEGG C00986 CH$LINK: NIKKAJI J1.969K -CH$LINK: PUBCHEM SID:4233 +CH$LINK: PUBCHEM CID:428 CH$LINK: INCHIKEY XFNJVJPLKCPIBV-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID1021906 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO002659.txt b/Keio_Univ/MSBNK-Keio_Univ-KO002659.txt index 9b5d29b54e9..0e58c525776 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO002659.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO002659.txt @@ -17,7 +17,7 @@ CH$LINK: CAS 109-76-2 CH$LINK: CHEBI CHEBI:15725 CH$LINK: KEGG C00986 CH$LINK: NIKKAJI J1.969K -CH$LINK: PUBCHEM SID:4233 +CH$LINK: PUBCHEM CID:428 CH$LINK: INCHIKEY XFNJVJPLKCPIBV-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID1021906 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO002660.txt b/Keio_Univ/MSBNK-Keio_Univ-KO002660.txt index f304eab1de8..354ac93474f 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO002660.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO002660.txt @@ -17,7 +17,7 @@ CH$LINK: CAS 109-76-2 CH$LINK: CHEBI CHEBI:15725 CH$LINK: KEGG C00986 CH$LINK: NIKKAJI J1.969K -CH$LINK: PUBCHEM SID:4233 +CH$LINK: PUBCHEM CID:428 CH$LINK: INCHIKEY XFNJVJPLKCPIBV-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID1021906 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO002661.txt b/Keio_Univ/MSBNK-Keio_Univ-KO002661.txt index 5f3be50c44b..53959e1d751 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO002661.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO002661.txt @@ -17,7 +17,7 @@ CH$LINK: CAS 109-76-2 CH$LINK: CHEBI CHEBI:15725 CH$LINK: KEGG C00986 CH$LINK: NIKKAJI J1.969K -CH$LINK: PUBCHEM SID:4233 +CH$LINK: PUBCHEM CID:428 CH$LINK: INCHIKEY XFNJVJPLKCPIBV-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID1021906 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO002662.txt b/Keio_Univ/MSBNK-Keio_Univ-KO002662.txt index 1dd4b536219..6cce2057b15 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO002662.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO002662.txt @@ -16,7 +16,7 @@ CH$LINK: CHEBI CHEBI:17724 CH$LINK: CHEMPDB DMG CH$LINK: KEGG C01026 CH$LINK: NIKKAJI J135.420E -CH$LINK: PUBCHEM SID:4271 +CH$LINK: PUBCHEM CID:673 CH$LINK: INCHIKEY FFDGPVCHZBVARC-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID6074336 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO002663.txt b/Keio_Univ/MSBNK-Keio_Univ-KO002663.txt index ac6ac63dea0..15b8741da29 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO002663.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO002663.txt @@ -16,7 +16,7 @@ CH$LINK: CHEBI CHEBI:17724 CH$LINK: CHEMPDB DMG CH$LINK: KEGG C01026 CH$LINK: NIKKAJI J135.420E -CH$LINK: PUBCHEM SID:4271 +CH$LINK: PUBCHEM CID:673 CH$LINK: INCHIKEY FFDGPVCHZBVARC-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID6074336 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO002664.txt b/Keio_Univ/MSBNK-Keio_Univ-KO002664.txt index 9ebcb0b4225..f7549279485 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO002664.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO002664.txt @@ -16,7 +16,7 @@ CH$LINK: CHEBI CHEBI:17724 CH$LINK: CHEMPDB DMG CH$LINK: KEGG C01026 CH$LINK: NIKKAJI J135.420E -CH$LINK: PUBCHEM SID:4271 +CH$LINK: PUBCHEM CID:673 CH$LINK: INCHIKEY FFDGPVCHZBVARC-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID6074336 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO002665.txt b/Keio_Univ/MSBNK-Keio_Univ-KO002665.txt index a82807b63a0..9b50fc97b65 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO002665.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO002665.txt @@ -16,7 +16,7 @@ CH$LINK: CHEBI CHEBI:17724 CH$LINK: CHEMPDB DMG CH$LINK: KEGG C01026 CH$LINK: NIKKAJI J135.420E -CH$LINK: PUBCHEM SID:4271 +CH$LINK: PUBCHEM CID:673 CH$LINK: INCHIKEY FFDGPVCHZBVARC-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID6074336 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO002666.txt b/Keio_Univ/MSBNK-Keio_Univ-KO002666.txt index 610d8f1b3a9..52d6d0b5579 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO002666.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO002666.txt @@ -16,7 +16,7 @@ CH$LINK: CHEBI CHEBI:17724 CH$LINK: CHEMPDB DMG CH$LINK: KEGG C01026 CH$LINK: NIKKAJI J135.420E -CH$LINK: PUBCHEM SID:4271 +CH$LINK: PUBCHEM CID:673 CH$LINK: INCHIKEY FFDGPVCHZBVARC-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID6074336 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO002667.txt b/Keio_Univ/MSBNK-Keio_Univ-KO002667.txt index d833f1f6c83..72b8a8f25b6 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO002667.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO002667.txt @@ -16,7 +16,7 @@ CH$SMILES: NCC(N)C(O)=O CH$IUPAC: InChI=1S/C3H8N2O2/c4-1-2(5)3(6)7/h2H,1,4-5H2,(H,6,7) CH$LINK: CHEBI CHEBI:18383 CH$LINK: KEGG C06393 -CH$LINK: PUBCHEM SID:8629 +CH$LINK: PUBCHEM CID:364 CH$LINK: INCHIKEY PECYZEOJVXMISF-UHFFFAOYSA-N AC$INSTRUMENT: API3000, Applied Biosystems AC$INSTRUMENT_TYPE: LC-ESI-QQ diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO002668.txt b/Keio_Univ/MSBNK-Keio_Univ-KO002668.txt index d6dbd7dc92c..5b20c64068f 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO002668.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO002668.txt @@ -16,7 +16,7 @@ CH$SMILES: NCC(N)C(O)=O CH$IUPAC: InChI=1S/C3H8N2O2/c4-1-2(5)3(6)7/h2H,1,4-5H2,(H,6,7) CH$LINK: CHEBI CHEBI:18383 CH$LINK: KEGG C06393 -CH$LINK: PUBCHEM SID:8629 +CH$LINK: PUBCHEM CID:364 CH$LINK: INCHIKEY PECYZEOJVXMISF-UHFFFAOYSA-N AC$INSTRUMENT: API3000, Applied Biosystems AC$INSTRUMENT_TYPE: LC-ESI-QQ diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO002669.txt b/Keio_Univ/MSBNK-Keio_Univ-KO002669.txt index a88b3a88d89..08013246d38 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO002669.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO002669.txt @@ -16,7 +16,7 @@ CH$SMILES: NCC(N)C(O)=O CH$IUPAC: InChI=1S/C3H8N2O2/c4-1-2(5)3(6)7/h2H,1,4-5H2,(H,6,7) CH$LINK: CHEBI CHEBI:18383 CH$LINK: KEGG C06393 -CH$LINK: PUBCHEM SID:8629 +CH$LINK: PUBCHEM CID:364 CH$LINK: INCHIKEY PECYZEOJVXMISF-UHFFFAOYSA-N AC$INSTRUMENT: API3000, Applied Biosystems AC$INSTRUMENT_TYPE: LC-ESI-QQ diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO002670.txt b/Keio_Univ/MSBNK-Keio_Univ-KO002670.txt index 2451e95c0dd..4182bd31810 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO002670.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO002670.txt @@ -16,7 +16,7 @@ CH$SMILES: NCC(N)C(O)=O CH$IUPAC: InChI=1S/C3H8N2O2/c4-1-2(5)3(6)7/h2H,1,4-5H2,(H,6,7) CH$LINK: CHEBI CHEBI:18383 CH$LINK: KEGG C06393 -CH$LINK: PUBCHEM SID:8629 +CH$LINK: PUBCHEM CID:364 CH$LINK: INCHIKEY PECYZEOJVXMISF-UHFFFAOYSA-N AC$INSTRUMENT: API3000, Applied Biosystems AC$INSTRUMENT_TYPE: LC-ESI-QQ diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO002671.txt b/Keio_Univ/MSBNK-Keio_Univ-KO002671.txt index 7d1f9f66dcf..2c664211efd 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO002671.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO002671.txt @@ -16,7 +16,7 @@ CH$SMILES: NCC(N)C(O)=O CH$IUPAC: InChI=1S/C3H8N2O2/c4-1-2(5)3(6)7/h2H,1,4-5H2,(H,6,7) CH$LINK: CHEBI CHEBI:18383 CH$LINK: KEGG C06393 -CH$LINK: PUBCHEM SID:8629 +CH$LINK: PUBCHEM CID:364 CH$LINK: INCHIKEY PECYZEOJVXMISF-UHFFFAOYSA-N AC$INSTRUMENT: API3000, Applied Biosystems AC$INSTRUMENT_TYPE: LC-ESI-QQ diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO002672.txt b/Keio_Univ/MSBNK-Keio_Univ-KO002672.txt index d48e46a8e36..b1e669ac9a6 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO002672.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO002672.txt @@ -18,7 +18,7 @@ CH$LINK: CAS 1758-80-1 CH$LINK: CHEBI CHEBI:16028 CH$LINK: KEGG C03283 CH$LINK: NIKKAJI J80.310C -CH$LINK: PUBCHEM SID:6142 +CH$LINK: PUBCHEM CID:134490 CH$LINK: INCHIKEY OGNSCSPNOLGXSM-VKHMYHEASA-N AC$INSTRUMENT: API3000, Applied Biosystems AC$INSTRUMENT_TYPE: LC-ESI-QQ diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO002673.txt b/Keio_Univ/MSBNK-Keio_Univ-KO002673.txt index 84631fed2a4..dd7bb80ab6b 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO002673.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO002673.txt @@ -18,7 +18,7 @@ CH$LINK: CAS 1758-80-1 CH$LINK: CHEBI CHEBI:16028 CH$LINK: KEGG C03283 CH$LINK: NIKKAJI J80.310C -CH$LINK: PUBCHEM SID:6142 +CH$LINK: PUBCHEM CID:134490 CH$LINK: INCHIKEY OGNSCSPNOLGXSM-VKHMYHEASA-N AC$INSTRUMENT: API3000, Applied Biosystems AC$INSTRUMENT_TYPE: LC-ESI-QQ diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO002674.txt b/Keio_Univ/MSBNK-Keio_Univ-KO002674.txt index 9eed5f74d7e..ce8e3c67b89 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO002674.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO002674.txt @@ -18,7 +18,7 @@ CH$LINK: CAS 1758-80-1 CH$LINK: CHEBI CHEBI:16028 CH$LINK: KEGG C03283 CH$LINK: NIKKAJI J80.310C -CH$LINK: PUBCHEM SID:6142 +CH$LINK: PUBCHEM CID:134490 CH$LINK: INCHIKEY OGNSCSPNOLGXSM-VKHMYHEASA-N AC$INSTRUMENT: API3000, Applied Biosystems AC$INSTRUMENT_TYPE: LC-ESI-QQ diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO002675.txt b/Keio_Univ/MSBNK-Keio_Univ-KO002675.txt index 4d00934e20d..70c7dbffa63 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO002675.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO002675.txt @@ -18,7 +18,7 @@ CH$LINK: CAS 1758-80-1 CH$LINK: CHEBI CHEBI:16028 CH$LINK: KEGG C03283 CH$LINK: NIKKAJI J80.310C -CH$LINK: PUBCHEM SID:6142 +CH$LINK: PUBCHEM CID:134490 CH$LINK: INCHIKEY OGNSCSPNOLGXSM-VKHMYHEASA-N AC$INSTRUMENT: API3000, Applied Biosystems AC$INSTRUMENT_TYPE: LC-ESI-QQ diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO002676.txt b/Keio_Univ/MSBNK-Keio_Univ-KO002676.txt index 91240c556ae..781b8b16f96 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO002676.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO002676.txt @@ -18,7 +18,7 @@ CH$LINK: CAS 1758-80-1 CH$LINK: CHEBI CHEBI:16028 CH$LINK: KEGG C03283 CH$LINK: NIKKAJI J80.310C -CH$LINK: PUBCHEM SID:6142 +CH$LINK: PUBCHEM CID:134490 CH$LINK: INCHIKEY OGNSCSPNOLGXSM-VKHMYHEASA-N AC$INSTRUMENT: API3000, Applied Biosystems AC$INSTRUMENT_TYPE: LC-ESI-QQ diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO002677.txt b/Keio_Univ/MSBNK-Keio_Univ-KO002677.txt index 24de9b5b61f..14fb24f853d 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO002677.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO002677.txt @@ -14,7 +14,7 @@ CH$IUPAC: InChI=1S/C10H15N/c1-3-8-6-5-7-9(4-2)10(8)11/h5-7H,3-4,11H2,1-2H3 CH$LINK: CAS 579-66-8 CH$LINK: KEGG C11001 CH$LINK: NIKKAJI J55.363H -CH$LINK: PUBCHEM SID:13184 +CH$LINK: PUBCHEM CID:11369 CH$LINK: INCHIKEY FOYHNROGBXVLLX-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID6027218 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO002678.txt b/Keio_Univ/MSBNK-Keio_Univ-KO002678.txt index f21ec004e8b..1349115c0b9 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO002678.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO002678.txt @@ -14,7 +14,7 @@ CH$IUPAC: InChI=1S/C10H15N/c1-3-8-6-5-7-9(4-2)10(8)11/h5-7H,3-4,11H2,1-2H3 CH$LINK: CAS 579-66-8 CH$LINK: KEGG C11001 CH$LINK: NIKKAJI J55.363H -CH$LINK: PUBCHEM SID:13184 +CH$LINK: PUBCHEM CID:11369 CH$LINK: INCHIKEY FOYHNROGBXVLLX-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID6027218 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO002679.txt b/Keio_Univ/MSBNK-Keio_Univ-KO002679.txt index f3d9c6e7d24..df1c42d35c2 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO002679.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO002679.txt @@ -14,7 +14,7 @@ CH$IUPAC: InChI=1S/C10H15N/c1-3-8-6-5-7-9(4-2)10(8)11/h5-7H,3-4,11H2,1-2H3 CH$LINK: CAS 579-66-8 CH$LINK: KEGG C11001 CH$LINK: NIKKAJI J55.363H -CH$LINK: PUBCHEM SID:13184 +CH$LINK: PUBCHEM CID:11369 CH$LINK: INCHIKEY FOYHNROGBXVLLX-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID6027218 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO002680.txt b/Keio_Univ/MSBNK-Keio_Univ-KO002680.txt index 17f82149f60..eb246af477c 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO002680.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO002680.txt @@ -14,7 +14,7 @@ CH$IUPAC: InChI=1S/C10H15N/c1-3-8-6-5-7-9(4-2)10(8)11/h5-7H,3-4,11H2,1-2H3 CH$LINK: CAS 579-66-8 CH$LINK: KEGG C11001 CH$LINK: NIKKAJI J55.363H -CH$LINK: PUBCHEM SID:13184 +CH$LINK: PUBCHEM CID:11369 CH$LINK: INCHIKEY FOYHNROGBXVLLX-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID6027218 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO002681.txt b/Keio_Univ/MSBNK-Keio_Univ-KO002681.txt index f42a1c49acb..658c6e2692a 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO002681.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO002681.txt @@ -14,7 +14,7 @@ CH$IUPAC: InChI=1S/C10H15N/c1-3-8-6-5-7-9(4-2)10(8)11/h5-7H,3-4,11H2,1-2H3 CH$LINK: CAS 579-66-8 CH$LINK: KEGG C11001 CH$LINK: NIKKAJI J55.363H -CH$LINK: PUBCHEM SID:13184 +CH$LINK: PUBCHEM CID:11369 CH$LINK: INCHIKEY FOYHNROGBXVLLX-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID6027218 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO002682.txt b/Keio_Univ/MSBNK-Keio_Univ-KO002682.txt index 84212a2a218..4b4a62a3f95 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO002682.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO002682.txt @@ -13,7 +13,7 @@ CH$IUPAC: InChI=1S/C12H11N/c1-3-7-11(8-4-1)13-12-9-5-2-6-10-12/h1-10,13H CH$LINK: CAS 122-39-4 CH$LINK: KEGG C11016 CH$LINK: NIKKAJI J2.493G -CH$LINK: PUBCHEM SID:13199 +CH$LINK: PUBCHEM CID:11487 CH$LINK: INCHIKEY DMBHHRLKUKUOEG-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID4021975 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO002683.txt b/Keio_Univ/MSBNK-Keio_Univ-KO002683.txt index 7a9e628c3f2..e41d22bd3c8 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO002683.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO002683.txt @@ -13,7 +13,7 @@ CH$IUPAC: InChI=1S/C12H11N/c1-3-7-11(8-4-1)13-12-9-5-2-6-10-12/h1-10,13H CH$LINK: CAS 122-39-4 CH$LINK: KEGG C11016 CH$LINK: NIKKAJI J2.493G -CH$LINK: PUBCHEM SID:13199 +CH$LINK: PUBCHEM CID:11487 CH$LINK: INCHIKEY DMBHHRLKUKUOEG-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID4021975 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO002684.txt b/Keio_Univ/MSBNK-Keio_Univ-KO002684.txt index 96c6f9e81b5..414347b05f3 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO002684.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO002684.txt @@ -13,7 +13,7 @@ CH$IUPAC: InChI=1S/C12H11N/c1-3-7-11(8-4-1)13-12-9-5-2-6-10-12/h1-10,13H CH$LINK: CAS 122-39-4 CH$LINK: KEGG C11016 CH$LINK: NIKKAJI J2.493G -CH$LINK: PUBCHEM SID:13199 +CH$LINK: PUBCHEM CID:11487 CH$LINK: INCHIKEY DMBHHRLKUKUOEG-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID4021975 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO002685.txt b/Keio_Univ/MSBNK-Keio_Univ-KO002685.txt index 0446eae7d29..bf74985a95f 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO002685.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO002685.txt @@ -13,7 +13,7 @@ CH$IUPAC: InChI=1S/C12H11N/c1-3-7-11(8-4-1)13-12-9-5-2-6-10-12/h1-10,13H CH$LINK: CAS 122-39-4 CH$LINK: KEGG C11016 CH$LINK: NIKKAJI J2.493G -CH$LINK: PUBCHEM SID:13199 +CH$LINK: PUBCHEM CID:11487 CH$LINK: INCHIKEY DMBHHRLKUKUOEG-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID4021975 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO002686.txt b/Keio_Univ/MSBNK-Keio_Univ-KO002686.txt index b229eaef854..a52207c81fe 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO002686.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO002686.txt @@ -13,7 +13,7 @@ CH$IUPAC: InChI=1S/C12H11N/c1-3-7-11(8-4-1)13-12-9-5-2-6-10-12/h1-10,13H CH$LINK: CAS 122-39-4 CH$LINK: KEGG C11016 CH$LINK: NIKKAJI J2.493G -CH$LINK: PUBCHEM SID:13199 +CH$LINK: PUBCHEM CID:11487 CH$LINK: INCHIKEY DMBHHRLKUKUOEG-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID4021975 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO002687.txt b/Keio_Univ/MSBNK-Keio_Univ-KO002687.txt index 96d2b17de8e..77991838508 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO002687.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO002687.txt @@ -18,7 +18,7 @@ CH$LINK: CAS 51-61-6 CH$LINK: CHEBI CHEBI:18243 CH$LINK: KEGG C03758 CH$LINK: NIKKAJI J4.120C -CH$LINK: PUBCHEM SID:6517 +CH$LINK: PUBCHEM CID:681 CH$LINK: INCHIKEY VYFYYTLLBUKUHU-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID6022420 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO002688.txt b/Keio_Univ/MSBNK-Keio_Univ-KO002688.txt index bfdc45c3473..9729a0dfa64 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO002688.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO002688.txt @@ -18,7 +18,7 @@ CH$LINK: CAS 51-61-6 CH$LINK: CHEBI CHEBI:18243 CH$LINK: KEGG C03758 CH$LINK: NIKKAJI J4.120C -CH$LINK: PUBCHEM SID:6517 +CH$LINK: PUBCHEM CID:681 CH$LINK: INCHIKEY VYFYYTLLBUKUHU-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID6022420 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO002689.txt b/Keio_Univ/MSBNK-Keio_Univ-KO002689.txt index e0512f538ed..b9e8f1c2cfe 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO002689.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO002689.txt @@ -18,7 +18,7 @@ CH$LINK: CAS 51-61-6 CH$LINK: CHEBI CHEBI:18243 CH$LINK: KEGG C03758 CH$LINK: NIKKAJI J4.120C -CH$LINK: PUBCHEM SID:6517 +CH$LINK: PUBCHEM CID:681 CH$LINK: INCHIKEY VYFYYTLLBUKUHU-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID6022420 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO002690.txt b/Keio_Univ/MSBNK-Keio_Univ-KO002690.txt index 3a1e691cb58..296534164d0 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO002690.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO002690.txt @@ -18,7 +18,7 @@ CH$LINK: CAS 51-61-6 CH$LINK: CHEBI CHEBI:18243 CH$LINK: KEGG C03758 CH$LINK: NIKKAJI J4.120C -CH$LINK: PUBCHEM SID:6517 +CH$LINK: PUBCHEM CID:681 CH$LINK: INCHIKEY VYFYYTLLBUKUHU-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID6022420 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO002691.txt b/Keio_Univ/MSBNK-Keio_Univ-KO002691.txt index 9d48c19f2e3..30bd0c4dc24 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO002691.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO002691.txt @@ -18,7 +18,7 @@ CH$LINK: CAS 51-61-6 CH$LINK: CHEBI CHEBI:18243 CH$LINK: KEGG C03758 CH$LINK: NIKKAJI J4.120C -CH$LINK: PUBCHEM SID:6517 +CH$LINK: PUBCHEM CID:681 CH$LINK: INCHIKEY VYFYYTLLBUKUHU-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID6022420 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO002692.txt b/Keio_Univ/MSBNK-Keio_Univ-KO002692.txt index 09f9b47024d..5b6ac0cf2db 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO002692.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO002692.txt @@ -13,7 +13,7 @@ CH$IUPAC: InChI=1S/C8H7ClN2O2S/c1-5-10-7-3-2-6(9)4-8(7)14(12,13)11-5/h2-4H,1H3,( CH$LINK: CAS 364-98-7 CH$LINK: KEGG C06949 CH$LINK: NIKKAJI J5.703G -CH$LINK: PUBCHEM SID:9164 +CH$LINK: PUBCHEM CID:3019 CH$LINK: INCHIKEY GDLBFKVLRPITMI-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID7022914 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO002693.txt b/Keio_Univ/MSBNK-Keio_Univ-KO002693.txt index 329145056c1..443863c395f 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO002693.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO002693.txt @@ -13,7 +13,7 @@ CH$IUPAC: InChI=1S/C8H7ClN2O2S/c1-5-10-7-3-2-6(9)4-8(7)14(12,13)11-5/h2-4H,1H3,( CH$LINK: CAS 364-98-7 CH$LINK: KEGG C06949 CH$LINK: NIKKAJI J5.703G -CH$LINK: PUBCHEM SID:9164 +CH$LINK: PUBCHEM CID:3019 CH$LINK: INCHIKEY GDLBFKVLRPITMI-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID7022914 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO002694.txt b/Keio_Univ/MSBNK-Keio_Univ-KO002694.txt index 74ceab337d9..91a83acdc70 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO002694.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO002694.txt @@ -13,7 +13,7 @@ CH$IUPAC: InChI=1S/C8H7ClN2O2S/c1-5-10-7-3-2-6(9)4-8(7)14(12,13)11-5/h2-4H,1H3,( CH$LINK: CAS 364-98-7 CH$LINK: KEGG C06949 CH$LINK: NIKKAJI J5.703G -CH$LINK: PUBCHEM SID:9164 +CH$LINK: PUBCHEM CID:3019 CH$LINK: INCHIKEY GDLBFKVLRPITMI-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID7022914 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO002695.txt b/Keio_Univ/MSBNK-Keio_Univ-KO002695.txt index 70f381dd0bb..419c83efe4c 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO002695.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO002695.txt @@ -13,7 +13,7 @@ CH$IUPAC: InChI=1S/C8H7ClN2O2S/c1-5-10-7-3-2-6(9)4-8(7)14(12,13)11-5/h2-4H,1H3,( CH$LINK: CAS 364-98-7 CH$LINK: KEGG C06949 CH$LINK: NIKKAJI J5.703G -CH$LINK: PUBCHEM SID:9164 +CH$LINK: PUBCHEM CID:3019 CH$LINK: INCHIKEY GDLBFKVLRPITMI-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID7022914 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO002696.txt b/Keio_Univ/MSBNK-Keio_Univ-KO002696.txt index 5a93fd70759..6221e9f6922 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO002696.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO002696.txt @@ -13,7 +13,7 @@ CH$IUPAC: InChI=1S/C8H7ClN2O2S/c1-5-10-7-3-2-6(9)4-8(7)14(12,13)11-5/h2-4H,1H3,( CH$LINK: CAS 364-98-7 CH$LINK: KEGG C06949 CH$LINK: NIKKAJI J5.703G -CH$LINK: PUBCHEM SID:9164 +CH$LINK: PUBCHEM CID:3019 CH$LINK: INCHIKEY GDLBFKVLRPITMI-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID7022914 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO002697.txt b/Keio_Univ/MSBNK-Keio_Univ-KO002697.txt index 06ad56a9350..f777464c331 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO002697.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO002697.txt @@ -16,7 +16,7 @@ CH$LINK: CHEBI CHEBI:15698 CH$LINK: CHEMPDB DCZ CH$LINK: KEGG C00881 CH$LINK: NIKKAJI J14.406A -CH$LINK: PUBCHEM SID:4137 +CH$LINK: PUBCHEM CID:13711 CH$LINK: INCHIKEY CKTSBUTUHBMZGZ-SHYZEUOFSA-N CH$LINK: COMPTOX DTXSID70883620 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO002698.txt b/Keio_Univ/MSBNK-Keio_Univ-KO002698.txt index 51cbf1e09f2..79f4d3eca96 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO002698.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO002698.txt @@ -16,7 +16,7 @@ CH$LINK: CHEBI CHEBI:15698 CH$LINK: CHEMPDB DCZ CH$LINK: KEGG C00881 CH$LINK: NIKKAJI J14.406A -CH$LINK: PUBCHEM SID:4137 +CH$LINK: PUBCHEM CID:13711 CH$LINK: INCHIKEY CKTSBUTUHBMZGZ-SHYZEUOFSA-N CH$LINK: COMPTOX DTXSID70883620 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO002699.txt b/Keio_Univ/MSBNK-Keio_Univ-KO002699.txt index 56f8570c972..fa0703466ca 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO002699.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO002699.txt @@ -16,7 +16,7 @@ CH$LINK: CHEBI CHEBI:15698 CH$LINK: CHEMPDB DCZ CH$LINK: KEGG C00881 CH$LINK: NIKKAJI J14.406A -CH$LINK: PUBCHEM SID:4137 +CH$LINK: PUBCHEM CID:13711 CH$LINK: INCHIKEY CKTSBUTUHBMZGZ-SHYZEUOFSA-N CH$LINK: COMPTOX DTXSID70883620 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO002700.txt b/Keio_Univ/MSBNK-Keio_Univ-KO002700.txt index d1a189b862d..4379cab94df 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO002700.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO002700.txt @@ -16,7 +16,7 @@ CH$LINK: CHEBI CHEBI:15698 CH$LINK: CHEMPDB DCZ CH$LINK: KEGG C00881 CH$LINK: NIKKAJI J14.406A -CH$LINK: PUBCHEM SID:4137 +CH$LINK: PUBCHEM CID:13711 CH$LINK: INCHIKEY CKTSBUTUHBMZGZ-SHYZEUOFSA-N CH$LINK: COMPTOX DTXSID70883620 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO002701.txt b/Keio_Univ/MSBNK-Keio_Univ-KO002701.txt index 1508719c6bb..ea3ba703fce 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO002701.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO002701.txt @@ -13,11 +13,11 @@ CH$FORMULA: C9H9I2NO3 CH$EXACT_MASS: 432.86718 CH$SMILES: OC(=O)[C@@H](N)Cc(c1)cc(I)c(O)c(I)1 CH$IUPAC: InChI=1S/C9H9I2NO3/c10-5-1-4(2-6(11)8(5)13)3-7(12)9(14)15/h1-2,7,13H,3,12H2,(H,14,15)/t7-/m0/s1 -CH$LINK: CAS 300-39-0 66-02-4 +CH$LINK: CAS 300-39-0 CH$LINK: CHEBI CHEBI:15768 CH$LINK: CHEMPDB TYI CH$LINK: KEGG C01060 -CH$LINK: PUBCHEM SID:4299 +CH$LINK: PUBCHEM CID:9305 CH$LINK: INCHIKEY NYPYHUZRZVSYKL-ZETCQYMHSA-N CH$LINK: COMPTOX DTXSID0048680 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO002702.txt b/Keio_Univ/MSBNK-Keio_Univ-KO002702.txt index 79652c3f17a..a283d834abd 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO002702.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO002702.txt @@ -13,11 +13,11 @@ CH$FORMULA: C9H9I2NO3 CH$EXACT_MASS: 432.86718 CH$SMILES: OC(=O)[C@@H](N)Cc(c1)cc(I)c(O)c(I)1 CH$IUPAC: InChI=1S/C9H9I2NO3/c10-5-1-4(2-6(11)8(5)13)3-7(12)9(14)15/h1-2,7,13H,3,12H2,(H,14,15)/t7-/m0/s1 -CH$LINK: CAS 300-39-0 66-02-4 +CH$LINK: CAS 300-39-0 CH$LINK: CHEBI CHEBI:15768 CH$LINK: CHEMPDB TYI CH$LINK: KEGG C01060 -CH$LINK: PUBCHEM SID:4299 +CH$LINK: PUBCHEM CID:9305 CH$LINK: INCHIKEY NYPYHUZRZVSYKL-ZETCQYMHSA-N CH$LINK: COMPTOX DTXSID0048680 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO002703.txt b/Keio_Univ/MSBNK-Keio_Univ-KO002703.txt index 667e0b2b5d5..7f041d29c38 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO002703.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO002703.txt @@ -13,11 +13,11 @@ CH$FORMULA: C9H9I2NO3 CH$EXACT_MASS: 432.86718 CH$SMILES: OC(=O)[C@@H](N)Cc(c1)cc(I)c(O)c(I)1 CH$IUPAC: InChI=1S/C9H9I2NO3/c10-5-1-4(2-6(11)8(5)13)3-7(12)9(14)15/h1-2,7,13H,3,12H2,(H,14,15)/t7-/m0/s1 -CH$LINK: CAS 300-39-0 66-02-4 +CH$LINK: CAS 300-39-0 CH$LINK: CHEBI CHEBI:15768 CH$LINK: CHEMPDB TYI CH$LINK: KEGG C01060 -CH$LINK: PUBCHEM SID:4299 +CH$LINK: PUBCHEM CID:9305 CH$LINK: INCHIKEY NYPYHUZRZVSYKL-ZETCQYMHSA-N CH$LINK: COMPTOX DTXSID0048680 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO002704.txt b/Keio_Univ/MSBNK-Keio_Univ-KO002704.txt index 9560c0a3020..8ebc5699a67 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO002704.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO002704.txt @@ -13,11 +13,11 @@ CH$FORMULA: C9H9I2NO3 CH$EXACT_MASS: 432.86718 CH$SMILES: OC(=O)[C@@H](N)Cc(c1)cc(I)c(O)c(I)1 CH$IUPAC: InChI=1S/C9H9I2NO3/c10-5-1-4(2-6(11)8(5)13)3-7(12)9(14)15/h1-2,7,13H,3,12H2,(H,14,15)/t7-/m0/s1 -CH$LINK: CAS 300-39-0 66-02-4 +CH$LINK: CAS 300-39-0 CH$LINK: CHEBI CHEBI:15768 CH$LINK: CHEMPDB TYI CH$LINK: KEGG C01060 -CH$LINK: PUBCHEM SID:4299 +CH$LINK: PUBCHEM CID:9305 CH$LINK: INCHIKEY NYPYHUZRZVSYKL-ZETCQYMHSA-N CH$LINK: COMPTOX DTXSID0048680 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO002705.txt b/Keio_Univ/MSBNK-Keio_Univ-KO002705.txt index 8d74671d895..8e835ec1dad 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO002705.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO002705.txt @@ -13,11 +13,11 @@ CH$FORMULA: C9H9I2NO3 CH$EXACT_MASS: 432.86718 CH$SMILES: OC(=O)[C@@H](N)Cc(c1)cc(I)c(O)c(I)1 CH$IUPAC: InChI=1S/C9H9I2NO3/c10-5-1-4(2-6(11)8(5)13)3-7(12)9(14)15/h1-2,7,13H,3,12H2,(H,14,15)/t7-/m0/s1 -CH$LINK: CAS 300-39-0 66-02-4 +CH$LINK: CAS 300-39-0 CH$LINK: CHEBI CHEBI:15768 CH$LINK: CHEMPDB TYI CH$LINK: KEGG C01060 -CH$LINK: PUBCHEM SID:4299 +CH$LINK: PUBCHEM CID:9305 CH$LINK: INCHIKEY NYPYHUZRZVSYKL-ZETCQYMHSA-N CH$LINK: COMPTOX DTXSID0048680 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO002706.txt b/Keio_Univ/MSBNK-Keio_Univ-KO002706.txt index 26bcaca7720..a2a1b29b67e 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO002706.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO002706.txt @@ -15,7 +15,7 @@ CH$LINK: CAS 961-07-9 CH$LINK: CHEBI CHEBI:17172 CH$LINK: KEGG C00330 CH$LINK: NIKKAJI J13.863K -CH$LINK: PUBCHEM SID:3624 +CH$LINK: PUBCHEM CID:135398592 CH$LINK: INCHIKEY YKBGVTZYEHREMT-KVQBGUIXSA-N CH$LINK: COMPTOX DTXSID30883626 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO002707.txt b/Keio_Univ/MSBNK-Keio_Univ-KO002707.txt index 053332b4d4d..d6dae736102 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO002707.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO002707.txt @@ -15,7 +15,7 @@ CH$LINK: CAS 961-07-9 CH$LINK: CHEBI CHEBI:17172 CH$LINK: KEGG C00330 CH$LINK: NIKKAJI J13.863K -CH$LINK: PUBCHEM SID:3624 +CH$LINK: PUBCHEM CID:135398592 CH$LINK: INCHIKEY YKBGVTZYEHREMT-KVQBGUIXSA-N CH$LINK: COMPTOX DTXSID30883626 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO002708.txt b/Keio_Univ/MSBNK-Keio_Univ-KO002708.txt index 5bbfc82fb26..4ccf77dab45 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO002708.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO002708.txt @@ -15,7 +15,7 @@ CH$LINK: CAS 961-07-9 CH$LINK: CHEBI CHEBI:17172 CH$LINK: KEGG C00330 CH$LINK: NIKKAJI J13.863K -CH$LINK: PUBCHEM SID:3624 +CH$LINK: PUBCHEM CID:135398592 CH$LINK: INCHIKEY YKBGVTZYEHREMT-KVQBGUIXSA-N CH$LINK: COMPTOX DTXSID30883626 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO002709.txt b/Keio_Univ/MSBNK-Keio_Univ-KO002709.txt index 8d7915c7f18..4af634081d1 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO002709.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO002709.txt @@ -15,7 +15,7 @@ CH$LINK: CAS 961-07-9 CH$LINK: CHEBI CHEBI:17172 CH$LINK: KEGG C00330 CH$LINK: NIKKAJI J13.863K -CH$LINK: PUBCHEM SID:3624 +CH$LINK: PUBCHEM CID:135398592 CH$LINK: INCHIKEY YKBGVTZYEHREMT-KVQBGUIXSA-N CH$LINK: COMPTOX DTXSID30883626 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO002710.txt b/Keio_Univ/MSBNK-Keio_Univ-KO002710.txt index 3b99a2d4726..f2008700b7e 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO002710.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO002710.txt @@ -15,7 +15,7 @@ CH$LINK: CAS 961-07-9 CH$LINK: CHEBI CHEBI:17172 CH$LINK: KEGG C00330 CH$LINK: NIKKAJI J13.863K -CH$LINK: PUBCHEM SID:3624 +CH$LINK: PUBCHEM CID:135398592 CH$LINK: INCHIKEY YKBGVTZYEHREMT-KVQBGUIXSA-N CH$LINK: COMPTOX DTXSID30883626 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO002721.txt b/Keio_Univ/MSBNK-Keio_Univ-KO002721.txt index 91ffbd12849..060b61da92d 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO002721.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO002721.txt @@ -21,7 +21,7 @@ CH$LINK: CAS 2457-80-9 CH$LINK: CHEBI CHEBI:17509 CH$LINK: KEGG C00170 CH$LINK: NIKKAJI J22.737D -CH$LINK: PUBCHEM SID:3470 +CH$LINK: PUBCHEM CID:439176 CH$LINK: INCHIKEY WUUGFSXJNOTRMR-IOSLPCCCSA-N CH$LINK: COMPTOX DTXSID20179308 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO002722.txt b/Keio_Univ/MSBNK-Keio_Univ-KO002722.txt index dd81f6d11a3..373f6e6c2a6 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO002722.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO002722.txt @@ -21,7 +21,7 @@ CH$LINK: CAS 2457-80-9 CH$LINK: CHEBI CHEBI:17509 CH$LINK: KEGG C00170 CH$LINK: NIKKAJI J22.737D -CH$LINK: PUBCHEM SID:3470 +CH$LINK: PUBCHEM CID:439176 CH$LINK: INCHIKEY WUUGFSXJNOTRMR-IOSLPCCCSA-N CH$LINK: COMPTOX DTXSID20179308 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO002723.txt b/Keio_Univ/MSBNK-Keio_Univ-KO002723.txt index 0d59e7b7f93..694a3fac737 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO002723.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO002723.txt @@ -21,7 +21,7 @@ CH$LINK: CAS 2457-80-9 CH$LINK: CHEBI CHEBI:17509 CH$LINK: KEGG C00170 CH$LINK: NIKKAJI J22.737D -CH$LINK: PUBCHEM SID:3470 +CH$LINK: PUBCHEM CID:439176 CH$LINK: INCHIKEY WUUGFSXJNOTRMR-IOSLPCCCSA-N CH$LINK: COMPTOX DTXSID20179308 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO002724.txt b/Keio_Univ/MSBNK-Keio_Univ-KO002724.txt index 989cc717434..a085e89c351 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO002724.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO002724.txt @@ -21,7 +21,7 @@ CH$LINK: CAS 2457-80-9 CH$LINK: CHEBI CHEBI:17509 CH$LINK: KEGG C00170 CH$LINK: NIKKAJI J22.737D -CH$LINK: PUBCHEM SID:3470 +CH$LINK: PUBCHEM CID:439176 CH$LINK: INCHIKEY WUUGFSXJNOTRMR-IOSLPCCCSA-N CH$LINK: COMPTOX DTXSID20179308 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO002725.txt b/Keio_Univ/MSBNK-Keio_Univ-KO002725.txt index 8392b6c75e9..1b96d426b8e 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO002725.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO002725.txt @@ -21,7 +21,7 @@ CH$LINK: CAS 2457-80-9 CH$LINK: CHEBI CHEBI:17509 CH$LINK: KEGG C00170 CH$LINK: NIKKAJI J22.737D -CH$LINK: PUBCHEM SID:3470 +CH$LINK: PUBCHEM CID:439176 CH$LINK: INCHIKEY WUUGFSXJNOTRMR-IOSLPCCCSA-N CH$LINK: COMPTOX DTXSID20179308 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO002726.txt b/Keio_Univ/MSBNK-Keio_Univ-KO002726.txt index c4c700d7a14..cdb35b9816b 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO002726.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO002726.txt @@ -15,7 +15,7 @@ CH$LINK: CAS 958-09-8 CH$LINK: CHEBI CHEBI:17256 CH$LINK: KEGG C00559 CH$LINK: NIKKAJI J80.042B -CH$LINK: PUBCHEM SID:3839 +CH$LINK: PUBCHEM CID:13730 CH$LINK: INCHIKEY OLXZPDWKRNYJJZ-RRKCRQDMSA-N CH$LINK: COMPTOX DTXSID10883624 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO002727.txt b/Keio_Univ/MSBNK-Keio_Univ-KO002727.txt index 9d82b3258b8..1ddfc3aa215 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO002727.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO002727.txt @@ -15,7 +15,7 @@ CH$LINK: CAS 958-09-8 CH$LINK: CHEBI CHEBI:17256 CH$LINK: KEGG C00559 CH$LINK: NIKKAJI J80.042B -CH$LINK: PUBCHEM SID:3839 +CH$LINK: PUBCHEM CID:13730 CH$LINK: INCHIKEY OLXZPDWKRNYJJZ-RRKCRQDMSA-N CH$LINK: COMPTOX DTXSID10883624 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO002728.txt b/Keio_Univ/MSBNK-Keio_Univ-KO002728.txt index 711be8ffca5..1762df9bd2b 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO002728.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO002728.txt @@ -15,7 +15,7 @@ CH$LINK: CAS 958-09-8 CH$LINK: CHEBI CHEBI:17256 CH$LINK: KEGG C00559 CH$LINK: NIKKAJI J80.042B -CH$LINK: PUBCHEM SID:3839 +CH$LINK: PUBCHEM CID:13730 CH$LINK: INCHIKEY OLXZPDWKRNYJJZ-RRKCRQDMSA-N CH$LINK: COMPTOX DTXSID10883624 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO002729.txt b/Keio_Univ/MSBNK-Keio_Univ-KO002729.txt index 19e4d408bfe..a195f4dd773 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO002729.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO002729.txt @@ -15,7 +15,7 @@ CH$LINK: CAS 958-09-8 CH$LINK: CHEBI CHEBI:17256 CH$LINK: KEGG C00559 CH$LINK: NIKKAJI J80.042B -CH$LINK: PUBCHEM SID:3839 +CH$LINK: PUBCHEM CID:13730 CH$LINK: INCHIKEY OLXZPDWKRNYJJZ-RRKCRQDMSA-N CH$LINK: COMPTOX DTXSID10883624 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO002730.txt b/Keio_Univ/MSBNK-Keio_Univ-KO002730.txt index 98072dbbd45..7f1aae9341e 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO002730.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO002730.txt @@ -15,7 +15,7 @@ CH$LINK: CAS 958-09-8 CH$LINK: CHEBI CHEBI:17256 CH$LINK: KEGG C00559 CH$LINK: NIKKAJI J80.042B -CH$LINK: PUBCHEM SID:3839 +CH$LINK: PUBCHEM CID:13730 CH$LINK: INCHIKEY OLXZPDWKRNYJJZ-RRKCRQDMSA-N CH$LINK: COMPTOX DTXSID10883624 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO002731.txt b/Keio_Univ/MSBNK-Keio_Univ-KO002731.txt index 7423eb3653b..a8542b7ebb4 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO002731.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO002731.txt @@ -15,7 +15,7 @@ CH$LINK: CAS 533-48-2 CH$LINK: CHEBI CHEBI:16691 CH$LINK: KEGG C01909 CH$LINK: NIKKAJI J9.406D -CH$LINK: PUBCHEM SID:5017 +CH$LINK: PUBCHEM CID:643 CH$LINK: INCHIKEY AUTOLBMXDDTRRT-UHFFFAOYSA-N AC$INSTRUMENT: API3000, Applied Biosystems AC$INSTRUMENT_TYPE: LC-ESI-QQ diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO002736.txt b/Keio_Univ/MSBNK-Keio_Univ-KO002736.txt index 31320ff8019..208b63868dd 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO002736.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO002736.txt @@ -17,7 +17,7 @@ CH$LINK: CAS 764-22-7 CH$LINK: CHEBI CHEBI:16566 CH$LINK: KEGG C00836 CH$LINK: NIKKAJI J14.383I -CH$LINK: PUBCHEM SID:4094 +CH$LINK: PUBCHEM CID:91486 CH$LINK: INCHIKEY OTKJDMGTUTTYMP-ZWKOTPCHSA-N AC$INSTRUMENT: API3000, Applied Biosystems AC$INSTRUMENT_TYPE: LC-ESI-QQ diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO002737.txt b/Keio_Univ/MSBNK-Keio_Univ-KO002737.txt index 3cb28ec414c..b18851e1244 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO002737.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO002737.txt @@ -17,7 +17,7 @@ CH$LINK: CAS 764-22-7 CH$LINK: CHEBI CHEBI:16566 CH$LINK: KEGG C00836 CH$LINK: NIKKAJI J14.383I -CH$LINK: PUBCHEM SID:4094 +CH$LINK: PUBCHEM CID:91486 CH$LINK: INCHIKEY OTKJDMGTUTTYMP-ZWKOTPCHSA-N AC$INSTRUMENT: API3000, Applied Biosystems AC$INSTRUMENT_TYPE: LC-ESI-QQ diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO002738.txt b/Keio_Univ/MSBNK-Keio_Univ-KO002738.txt index c1b6d3552fe..f2f26051984 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO002738.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO002738.txt @@ -17,7 +17,7 @@ CH$LINK: CAS 764-22-7 CH$LINK: CHEBI CHEBI:16566 CH$LINK: KEGG C00836 CH$LINK: NIKKAJI J14.383I -CH$LINK: PUBCHEM SID:4094 +CH$LINK: PUBCHEM CID:91486 CH$LINK: INCHIKEY OTKJDMGTUTTYMP-ZWKOTPCHSA-N AC$INSTRUMENT: API3000, Applied Biosystems AC$INSTRUMENT_TYPE: LC-ESI-QQ diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO002739.txt b/Keio_Univ/MSBNK-Keio_Univ-KO002739.txt index f9efe78d8fb..b081c3981f0 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO002739.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO002739.txt @@ -17,7 +17,7 @@ CH$LINK: CAS 764-22-7 CH$LINK: CHEBI CHEBI:16566 CH$LINK: KEGG C00836 CH$LINK: NIKKAJI J14.383I -CH$LINK: PUBCHEM SID:4094 +CH$LINK: PUBCHEM CID:91486 CH$LINK: INCHIKEY OTKJDMGTUTTYMP-ZWKOTPCHSA-N AC$INSTRUMENT: API3000, Applied Biosystems AC$INSTRUMENT_TYPE: LC-ESI-QQ diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO002740.txt b/Keio_Univ/MSBNK-Keio_Univ-KO002740.txt index 54ba02d6152..96e30cb0984 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO002740.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO002740.txt @@ -17,7 +17,7 @@ CH$LINK: CAS 764-22-7 CH$LINK: CHEBI CHEBI:16566 CH$LINK: KEGG C00836 CH$LINK: NIKKAJI J14.383I -CH$LINK: PUBCHEM SID:4094 +CH$LINK: PUBCHEM CID:91486 CH$LINK: INCHIKEY OTKJDMGTUTTYMP-ZWKOTPCHSA-N AC$INSTRUMENT: API3000, Applied Biosystems AC$INSTRUMENT_TYPE: LC-ESI-QQ diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO002741.txt b/Keio_Univ/MSBNK-Keio_Univ-KO002741.txt index 1cca22ccdd2..39c298bf07d 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO002741.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO002741.txt @@ -14,7 +14,7 @@ CH$LINK: CAS 4754-39-6 CH$LINK: CHEBI CHEBI:17319 CH$LINK: KEGG C05198 CH$LINK: NIKKAJI J103.510J -CH$LINK: PUBCHEM SID:7603 +CH$LINK: PUBCHEM CID:439182 CH$LINK: INCHIKEY XGYIMTFOTBMPFP-KQYNXXCUSA-N AC$INSTRUMENT: API3000, Applied Biosystems AC$INSTRUMENT_TYPE: LC-ESI-QQ diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO002742.txt b/Keio_Univ/MSBNK-Keio_Univ-KO002742.txt index 105ff2f6316..e2e17c4281f 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO002742.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO002742.txt @@ -14,7 +14,7 @@ CH$LINK: CAS 4754-39-6 CH$LINK: CHEBI CHEBI:17319 CH$LINK: KEGG C05198 CH$LINK: NIKKAJI J103.510J -CH$LINK: PUBCHEM SID:7603 +CH$LINK: PUBCHEM CID:439182 CH$LINK: INCHIKEY XGYIMTFOTBMPFP-KQYNXXCUSA-N AC$INSTRUMENT: API3000, Applied Biosystems AC$INSTRUMENT_TYPE: LC-ESI-QQ diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO002743.txt b/Keio_Univ/MSBNK-Keio_Univ-KO002743.txt index 40326d79fa1..d8ab594ffaf 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO002743.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO002743.txt @@ -14,7 +14,7 @@ CH$LINK: CAS 4754-39-6 CH$LINK: CHEBI CHEBI:17319 CH$LINK: KEGG C05198 CH$LINK: NIKKAJI J103.510J -CH$LINK: PUBCHEM SID:7603 +CH$LINK: PUBCHEM CID:439182 CH$LINK: INCHIKEY XGYIMTFOTBMPFP-KQYNXXCUSA-N AC$INSTRUMENT: API3000, Applied Biosystems AC$INSTRUMENT_TYPE: LC-ESI-QQ diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO002744.txt b/Keio_Univ/MSBNK-Keio_Univ-KO002744.txt index c73d925a266..c98b7db6bba 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO002744.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO002744.txt @@ -14,7 +14,7 @@ CH$LINK: CAS 4754-39-6 CH$LINK: CHEBI CHEBI:17319 CH$LINK: KEGG C05198 CH$LINK: NIKKAJI J103.510J -CH$LINK: PUBCHEM SID:7603 +CH$LINK: PUBCHEM CID:439182 CH$LINK: INCHIKEY XGYIMTFOTBMPFP-KQYNXXCUSA-N AC$INSTRUMENT: API3000, Applied Biosystems AC$INSTRUMENT_TYPE: LC-ESI-QQ diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO002745.txt b/Keio_Univ/MSBNK-Keio_Univ-KO002745.txt index 16ebf83df5c..4c977c4d34f 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO002745.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO002745.txt @@ -14,7 +14,7 @@ CH$LINK: CAS 4754-39-6 CH$LINK: CHEBI CHEBI:17319 CH$LINK: KEGG C05198 CH$LINK: NIKKAJI J103.510J -CH$LINK: PUBCHEM SID:7603 +CH$LINK: PUBCHEM CID:439182 CH$LINK: INCHIKEY XGYIMTFOTBMPFP-KQYNXXCUSA-N AC$INSTRUMENT: API3000, Applied Biosystems AC$INSTRUMENT_TYPE: LC-ESI-QQ diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO002751.txt b/Keio_Univ/MSBNK-Keio_Univ-KO002751.txt index 599d97a2ac5..d6d1480397e 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO002751.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO002751.txt @@ -17,7 +17,7 @@ CH$LINK: CHEBI CHEBI:15890 CH$LINK: CHEMPDB DMD CH$LINK: KEGG C03114 CH$LINK: NIKKAJI J69.209C -CH$LINK: PUBCHEM SID:6009 +CH$LINK: PUBCHEM CID:675 CH$LINK: INCHIKEY LJUQGASMPRMWIW-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID70870631 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO002752.txt b/Keio_Univ/MSBNK-Keio_Univ-KO002752.txt index 05ef8359715..df865867d95 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO002752.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO002752.txt @@ -17,7 +17,7 @@ CH$LINK: CHEBI CHEBI:15890 CH$LINK: CHEMPDB DMD CH$LINK: KEGG C03114 CH$LINK: NIKKAJI J69.209C -CH$LINK: PUBCHEM SID:6009 +CH$LINK: PUBCHEM CID:675 CH$LINK: INCHIKEY LJUQGASMPRMWIW-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID70870631 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO002753.txt b/Keio_Univ/MSBNK-Keio_Univ-KO002753.txt index acad48ae789..98821569705 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO002753.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO002753.txt @@ -17,7 +17,7 @@ CH$LINK: CHEBI CHEBI:15890 CH$LINK: CHEMPDB DMD CH$LINK: KEGG C03114 CH$LINK: NIKKAJI J69.209C -CH$LINK: PUBCHEM SID:6009 +CH$LINK: PUBCHEM CID:675 CH$LINK: INCHIKEY LJUQGASMPRMWIW-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID70870631 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO002754.txt b/Keio_Univ/MSBNK-Keio_Univ-KO002754.txt index bf2e19d99ef..3ad8c06c53e 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO002754.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO002754.txt @@ -17,7 +17,7 @@ CH$LINK: CHEBI CHEBI:15890 CH$LINK: CHEMPDB DMD CH$LINK: KEGG C03114 CH$LINK: NIKKAJI J69.209C -CH$LINK: PUBCHEM SID:6009 +CH$LINK: PUBCHEM CID:675 CH$LINK: INCHIKEY LJUQGASMPRMWIW-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID70870631 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO002755.txt b/Keio_Univ/MSBNK-Keio_Univ-KO002755.txt index 8b62d65ebc6..114e2ff91e3 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO002755.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO002755.txt @@ -17,7 +17,7 @@ CH$LINK: CHEBI CHEBI:15890 CH$LINK: CHEMPDB DMD CH$LINK: KEGG C03114 CH$LINK: NIKKAJI J69.209C -CH$LINK: PUBCHEM SID:6009 +CH$LINK: PUBCHEM CID:675 CH$LINK: INCHIKEY LJUQGASMPRMWIW-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID70870631 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO002756.txt b/Keio_Univ/MSBNK-Keio_Univ-KO002756.txt index 37f5f309c99..bacfb80edc5 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO002756.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO002756.txt @@ -16,7 +16,7 @@ CH$LINK: CHEBI CHEBI:17170 CH$LINK: CHEMPDB DMN CH$LINK: KEGG C00543 CH$LINK: NIKKAJI J2.933E -CH$LINK: PUBCHEM SID:3824 +CH$LINK: PUBCHEM CID:674 CH$LINK: INCHIKEY ROSDSFDQCJNGOL-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID5024057 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO002757.txt b/Keio_Univ/MSBNK-Keio_Univ-KO002757.txt index f8c9963b098..4b0aa20365d 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO002757.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO002757.txt @@ -16,7 +16,7 @@ CH$LINK: CHEBI CHEBI:17170 CH$LINK: CHEMPDB DMN CH$LINK: KEGG C00543 CH$LINK: NIKKAJI J2.933E -CH$LINK: PUBCHEM SID:3824 +CH$LINK: PUBCHEM CID:674 CH$LINK: INCHIKEY ROSDSFDQCJNGOL-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID5024057 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO002758.txt b/Keio_Univ/MSBNK-Keio_Univ-KO002758.txt index 21c764a8beb..7b70d5abbdd 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO002758.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO002758.txt @@ -16,7 +16,7 @@ CH$LINK: CHEBI CHEBI:17170 CH$LINK: CHEMPDB DMN CH$LINK: KEGG C00543 CH$LINK: NIKKAJI J2.933E -CH$LINK: PUBCHEM SID:3824 +CH$LINK: PUBCHEM CID:674 CH$LINK: INCHIKEY ROSDSFDQCJNGOL-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID5024057 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO002759.txt b/Keio_Univ/MSBNK-Keio_Univ-KO002759.txt index 93381872e2a..52666fdcf45 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO002759.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO002759.txt @@ -16,7 +16,7 @@ CH$LINK: CHEBI CHEBI:17170 CH$LINK: CHEMPDB DMN CH$LINK: KEGG C00543 CH$LINK: NIKKAJI J2.933E -CH$LINK: PUBCHEM SID:3824 +CH$LINK: PUBCHEM CID:674 CH$LINK: INCHIKEY ROSDSFDQCJNGOL-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID5024057 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO002760.txt b/Keio_Univ/MSBNK-Keio_Univ-KO002760.txt index 33961c2359c..cd99cad8fc4 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO002760.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO002760.txt @@ -16,7 +16,7 @@ CH$LINK: CHEBI CHEBI:17170 CH$LINK: CHEMPDB DMN CH$LINK: KEGG C00543 CH$LINK: NIKKAJI J2.933E -CH$LINK: PUBCHEM SID:3824 +CH$LINK: PUBCHEM CID:674 CH$LINK: INCHIKEY ROSDSFDQCJNGOL-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID5024057 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO002766.txt b/Keio_Univ/MSBNK-Keio_Univ-KO002766.txt index 1dbeee74e8f..5d3a51ffc0e 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO002766.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO002766.txt @@ -14,7 +14,7 @@ CH$IUPAC: InChI=1S/C21H41N7O12/c1-5-21(36,4-30)16(40-17-9(26-2)13(34)10(31)6(3-2 CH$LINK: CAS 128-46-1 CH$LINK: KEGG C01023 CH$LINK: NIKKAJI J10.276H -CH$LINK: PUBCHEM SID:4268 +CH$LINK: PUBCHEM CID:439369 CH$LINK: INCHIKEY ASXBYYWOLISCLQ-HZYVHMACSA-N CH$LINK: COMPTOX DTXSID0022937 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO002767.txt b/Keio_Univ/MSBNK-Keio_Univ-KO002767.txt index 07d82996dde..49429378b52 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO002767.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO002767.txt @@ -14,7 +14,7 @@ CH$IUPAC: InChI=1S/C21H41N7O12/c1-5-21(36,4-30)16(40-17-9(26-2)13(34)10(31)6(3-2 CH$LINK: CAS 128-46-1 CH$LINK: KEGG C01023 CH$LINK: NIKKAJI J10.276H -CH$LINK: PUBCHEM SID:4268 +CH$LINK: PUBCHEM CID:439369 CH$LINK: INCHIKEY ASXBYYWOLISCLQ-HZYVHMACSA-N CH$LINK: COMPTOX DTXSID0022937 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO002768.txt b/Keio_Univ/MSBNK-Keio_Univ-KO002768.txt index 180193de422..7349d8f8e85 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO002768.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO002768.txt @@ -14,7 +14,7 @@ CH$IUPAC: InChI=1S/C21H41N7O12/c1-5-21(36,4-30)16(40-17-9(26-2)13(34)10(31)6(3-2 CH$LINK: CAS 128-46-1 CH$LINK: KEGG C01023 CH$LINK: NIKKAJI J10.276H -CH$LINK: PUBCHEM SID:4268 +CH$LINK: PUBCHEM CID:439369 CH$LINK: INCHIKEY ASXBYYWOLISCLQ-HZYVHMACSA-N CH$LINK: COMPTOX DTXSID0022937 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO002769.txt b/Keio_Univ/MSBNK-Keio_Univ-KO002769.txt index 955eb7ef08c..8d10676457b 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO002769.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO002769.txt @@ -14,7 +14,7 @@ CH$IUPAC: InChI=1S/C21H41N7O12/c1-5-21(36,4-30)16(40-17-9(26-2)13(34)10(31)6(3-2 CH$LINK: CAS 128-46-1 CH$LINK: KEGG C01023 CH$LINK: NIKKAJI J10.276H -CH$LINK: PUBCHEM SID:4268 +CH$LINK: PUBCHEM CID:439369 CH$LINK: INCHIKEY ASXBYYWOLISCLQ-HZYVHMACSA-N CH$LINK: COMPTOX DTXSID0022937 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO002770.txt b/Keio_Univ/MSBNK-Keio_Univ-KO002770.txt index ddb931ea89e..334d3dccf7e 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO002770.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO002770.txt @@ -14,7 +14,7 @@ CH$IUPAC: InChI=1S/C21H41N7O12/c1-5-21(36,4-30)16(40-17-9(26-2)13(34)10(31)6(3-2 CH$LINK: CAS 128-46-1 CH$LINK: KEGG C01023 CH$LINK: NIKKAJI J10.276H -CH$LINK: PUBCHEM SID:4268 +CH$LINK: PUBCHEM CID:439369 CH$LINK: INCHIKEY ASXBYYWOLISCLQ-HZYVHMACSA-N CH$LINK: COMPTOX DTXSID0022937 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO002771.txt b/Keio_Univ/MSBNK-Keio_Univ-KO002771.txt index 96d7e19ef14..3cb511df448 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO002771.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO002771.txt @@ -14,7 +14,7 @@ CH$IUPAC: InChI=1S/C21H41N7O12/c1-5-21(36,4-30)16(40-17-9(26-2)13(34)10(31)6(3-2 CH$LINK: CAS 128-46-1 CH$LINK: KEGG C01023 CH$LINK: NIKKAJI J10.276H -CH$LINK: PUBCHEM SID:4268 +CH$LINK: PUBCHEM CID:439369 CH$LINK: INCHIKEY ASXBYYWOLISCLQ-HZYVHMACSA-N CH$LINK: COMPTOX DTXSID0022937 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO002772.txt b/Keio_Univ/MSBNK-Keio_Univ-KO002772.txt index 9cbea24dc54..88065c615b4 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO002772.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO002772.txt @@ -14,7 +14,7 @@ CH$IUPAC: InChI=1S/C21H41N7O12/c1-5-21(36,4-30)16(40-17-9(26-2)13(34)10(31)6(3-2 CH$LINK: CAS 128-46-1 CH$LINK: KEGG C01023 CH$LINK: NIKKAJI J10.276H -CH$LINK: PUBCHEM SID:4268 +CH$LINK: PUBCHEM CID:439369 CH$LINK: INCHIKEY ASXBYYWOLISCLQ-HZYVHMACSA-N CH$LINK: COMPTOX DTXSID0022937 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO002773.txt b/Keio_Univ/MSBNK-Keio_Univ-KO002773.txt index 0f733293c3a..ad70601b989 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO002773.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO002773.txt @@ -14,7 +14,7 @@ CH$IUPAC: InChI=1S/C21H41N7O12/c1-5-21(36,4-30)16(40-17-9(26-2)13(34)10(31)6(3-2 CH$LINK: CAS 128-46-1 CH$LINK: KEGG C01023 CH$LINK: NIKKAJI J10.276H -CH$LINK: PUBCHEM SID:4268 +CH$LINK: PUBCHEM CID:439369 CH$LINK: INCHIKEY ASXBYYWOLISCLQ-HZYVHMACSA-N CH$LINK: COMPTOX DTXSID0022937 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO002774.txt b/Keio_Univ/MSBNK-Keio_Univ-KO002774.txt index acd703106b0..c450c405cb1 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO002774.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO002774.txt @@ -14,7 +14,7 @@ CH$IUPAC: InChI=1S/C21H41N7O12/c1-5-21(36,4-30)16(40-17-9(26-2)13(34)10(31)6(3-2 CH$LINK: CAS 128-46-1 CH$LINK: KEGG C01023 CH$LINK: NIKKAJI J10.276H -CH$LINK: PUBCHEM SID:4268 +CH$LINK: PUBCHEM CID:439369 CH$LINK: INCHIKEY ASXBYYWOLISCLQ-HZYVHMACSA-N CH$LINK: COMPTOX DTXSID0022937 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO002775.txt b/Keio_Univ/MSBNK-Keio_Univ-KO002775.txt index 0384e5dde02..b02acdcc308 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO002775.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO002775.txt @@ -14,7 +14,7 @@ CH$IUPAC: InChI=1S/C21H41N7O12/c1-5-21(36,4-30)16(40-17-9(26-2)13(34)10(31)6(3-2 CH$LINK: CAS 128-46-1 CH$LINK: KEGG C01023 CH$LINK: NIKKAJI J10.276H -CH$LINK: PUBCHEM SID:4268 +CH$LINK: PUBCHEM CID:439369 CH$LINK: INCHIKEY ASXBYYWOLISCLQ-HZYVHMACSA-N CH$LINK: COMPTOX DTXSID0022937 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO002776.txt b/Keio_Univ/MSBNK-Keio_Univ-KO002776.txt index 342c607025b..b73458292cc 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO002776.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO002776.txt @@ -15,7 +15,7 @@ CH$IUPAC: InChI=1S/C12H17NO/c1-3-13(4-2)12(14)10-11-8-6-5-7-9-11/h5-9H,3-4,10H2, CH$LINK: CAS 2431-96-1 CH$LINK: KEGG C10938 CH$LINK: NIKKAJI J80.484C -CH$LINK: PUBCHEM SID:13121 +CH$LINK: PUBCHEM CID:17076 CH$LINK: INCHIKEY UXDAWVUDZLBBAM-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID00179048 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO002777.txt b/Keio_Univ/MSBNK-Keio_Univ-KO002777.txt index 9dfec8810b1..e81476daa31 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO002777.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO002777.txt @@ -15,7 +15,7 @@ CH$IUPAC: InChI=1S/C12H17NO/c1-3-13(4-2)12(14)10-11-8-6-5-7-9-11/h5-9H,3-4,10H2, CH$LINK: CAS 2431-96-1 CH$LINK: KEGG C10938 CH$LINK: NIKKAJI J80.484C -CH$LINK: PUBCHEM SID:13121 +CH$LINK: PUBCHEM CID:17076 CH$LINK: INCHIKEY UXDAWVUDZLBBAM-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID00179048 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO002778.txt b/Keio_Univ/MSBNK-Keio_Univ-KO002778.txt index 927dbe4e073..0a9d4c89688 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO002778.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO002778.txt @@ -15,7 +15,7 @@ CH$IUPAC: InChI=1S/C12H17NO/c1-3-13(4-2)12(14)10-11-8-6-5-7-9-11/h5-9H,3-4,10H2, CH$LINK: CAS 2431-96-1 CH$LINK: KEGG C10938 CH$LINK: NIKKAJI J80.484C -CH$LINK: PUBCHEM SID:13121 +CH$LINK: PUBCHEM CID:17076 CH$LINK: INCHIKEY UXDAWVUDZLBBAM-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID00179048 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO002779.txt b/Keio_Univ/MSBNK-Keio_Univ-KO002779.txt index 52cec234554..68c283e1026 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO002779.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO002779.txt @@ -15,7 +15,7 @@ CH$IUPAC: InChI=1S/C12H17NO/c1-3-13(4-2)12(14)10-11-8-6-5-7-9-11/h5-9H,3-4,10H2, CH$LINK: CAS 2431-96-1 CH$LINK: KEGG C10938 CH$LINK: NIKKAJI J80.484C -CH$LINK: PUBCHEM SID:13121 +CH$LINK: PUBCHEM CID:17076 CH$LINK: INCHIKEY UXDAWVUDZLBBAM-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID00179048 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO002780.txt b/Keio_Univ/MSBNK-Keio_Univ-KO002780.txt index b0ba41b67e8..52ad55467ee 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO002780.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO002780.txt @@ -15,7 +15,7 @@ CH$IUPAC: InChI=1S/C12H17NO/c1-3-13(4-2)12(14)10-11-8-6-5-7-9-11/h5-9H,3-4,10H2, CH$LINK: CAS 2431-96-1 CH$LINK: KEGG C10938 CH$LINK: NIKKAJI J80.484C -CH$LINK: PUBCHEM SID:13121 +CH$LINK: PUBCHEM CID:17076 CH$LINK: INCHIKEY UXDAWVUDZLBBAM-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID00179048 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO002781.txt b/Keio_Univ/MSBNK-Keio_Univ-KO002781.txt index 222f560c8bb..2067d84ebb1 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO002781.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO002781.txt @@ -13,7 +13,7 @@ CH$IUPAC: InChI=1S/C14H11Cl2NO2/c15-10-5-3-6-11(16)14(10)17-12-7-2-1-4-9(12)8-13 CH$LINK: CAS 15307-86-5 CH$LINK: KEGG C01690 CH$LINK: NIKKAJI J8.557J -CH$LINK: PUBCHEM SID:4831 +CH$LINK: PUBCHEM CID:3033 CH$LINK: INCHIKEY DCOPUUMXTXDBNB-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID6022923 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO002782.txt b/Keio_Univ/MSBNK-Keio_Univ-KO002782.txt index e8b94505691..b0dfb086057 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO002782.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO002782.txt @@ -13,7 +13,7 @@ CH$IUPAC: InChI=1S/C14H11Cl2NO2/c15-10-5-3-6-11(16)14(10)17-12-7-2-1-4-9(12)8-13 CH$LINK: CAS 15307-86-5 CH$LINK: KEGG C01690 CH$LINK: NIKKAJI J8.557J -CH$LINK: PUBCHEM SID:4831 +CH$LINK: PUBCHEM CID:3033 CH$LINK: INCHIKEY DCOPUUMXTXDBNB-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID6022923 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO002783.txt b/Keio_Univ/MSBNK-Keio_Univ-KO002783.txt index f71d2cb62b8..8f9f3179d15 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO002783.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO002783.txt @@ -13,7 +13,7 @@ CH$IUPAC: InChI=1S/C14H11Cl2NO2/c15-10-5-3-6-11(16)14(10)17-12-7-2-1-4-9(12)8-13 CH$LINK: CAS 15307-86-5 CH$LINK: KEGG C01690 CH$LINK: NIKKAJI J8.557J -CH$LINK: PUBCHEM SID:4831 +CH$LINK: PUBCHEM CID:3033 CH$LINK: INCHIKEY DCOPUUMXTXDBNB-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID6022923 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO002784.txt b/Keio_Univ/MSBNK-Keio_Univ-KO002784.txt index e0d1b431cb4..e9a167b48e8 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO002784.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO002784.txt @@ -13,7 +13,7 @@ CH$IUPAC: InChI=1S/C14H11Cl2NO2/c15-10-5-3-6-11(16)14(10)17-12-7-2-1-4-9(12)8-13 CH$LINK: CAS 15307-86-5 CH$LINK: KEGG C01690 CH$LINK: NIKKAJI J8.557J -CH$LINK: PUBCHEM SID:4831 +CH$LINK: PUBCHEM CID:3033 CH$LINK: INCHIKEY DCOPUUMXTXDBNB-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID6022923 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO002785.txt b/Keio_Univ/MSBNK-Keio_Univ-KO002785.txt index 61121ba0c1d..c7e62930f9c 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO002785.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO002785.txt @@ -13,7 +13,7 @@ CH$IUPAC: InChI=1S/C14H11Cl2NO2/c15-10-5-3-6-11(16)14(10)17-12-7-2-1-4-9(12)8-13 CH$LINK: CAS 15307-86-5 CH$LINK: KEGG C01690 CH$LINK: NIKKAJI J8.557J -CH$LINK: PUBCHEM SID:4831 +CH$LINK: PUBCHEM CID:3033 CH$LINK: INCHIKEY DCOPUUMXTXDBNB-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID6022923 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO002786.txt b/Keio_Univ/MSBNK-Keio_Univ-KO002786.txt index aa029635eff..11cd37b50df 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO002786.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO002786.txt @@ -13,7 +13,7 @@ CH$SMILES: CN(C)[C@@H](CC1=CN=CN1)C(=O)O CH$IUPAC: InChI=1S/C8H13N3O2/c1-11(2)7(8(12)13)3-6-4-9-5-10-6/h4-5,7H,3H2,1-2H3,(H,9,10)(H,12,13)/t7-/m0/s1 CH$LINK: CHEBI CHEBI:16029 CH$LINK: KEGG C04259 -CH$LINK: PUBCHEM SID:6924 +CH$LINK: PUBCHEM CID:440274 CH$LINK: INCHIKEY IMOBSLOLPCWZKQ-ZETCQYMHSA-N CH$LINK: COMPTOX DTXSID60947821 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO002787.txt b/Keio_Univ/MSBNK-Keio_Univ-KO002787.txt index 2af14e9b46a..f593c3bc8c8 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO002787.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO002787.txt @@ -13,7 +13,7 @@ CH$SMILES: CN(C)[C@@H](CC1=CN=CN1)C(=O)O CH$IUPAC: InChI=1S/C8H13N3O2/c1-11(2)7(8(12)13)3-6-4-9-5-10-6/h4-5,7H,3H2,1-2H3,(H,9,10)(H,12,13)/t7-/m0/s1 CH$LINK: CHEBI CHEBI:16029 CH$LINK: KEGG C04259 -CH$LINK: PUBCHEM SID:6924 +CH$LINK: PUBCHEM CID:440274 CH$LINK: INCHIKEY IMOBSLOLPCWZKQ-ZETCQYMHSA-N CH$LINK: COMPTOX DTXSID60947821 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO002788.txt b/Keio_Univ/MSBNK-Keio_Univ-KO002788.txt index 6862e6709dc..403db491b42 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO002788.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO002788.txt @@ -13,7 +13,7 @@ CH$SMILES: CN(C)[C@@H](CC1=CN=CN1)C(=O)O CH$IUPAC: InChI=1S/C8H13N3O2/c1-11(2)7(8(12)13)3-6-4-9-5-10-6/h4-5,7H,3H2,1-2H3,(H,9,10)(H,12,13)/t7-/m0/s1 CH$LINK: CHEBI CHEBI:16029 CH$LINK: KEGG C04259 -CH$LINK: PUBCHEM SID:6924 +CH$LINK: PUBCHEM CID:440274 CH$LINK: INCHIKEY IMOBSLOLPCWZKQ-ZETCQYMHSA-N CH$LINK: COMPTOX DTXSID60947821 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO002789.txt b/Keio_Univ/MSBNK-Keio_Univ-KO002789.txt index 7365ec8afde..02e78f58378 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO002789.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO002789.txt @@ -13,7 +13,7 @@ CH$SMILES: CN(C)[C@@H](CC1=CN=CN1)C(=O)O CH$IUPAC: InChI=1S/C8H13N3O2/c1-11(2)7(8(12)13)3-6-4-9-5-10-6/h4-5,7H,3H2,1-2H3,(H,9,10)(H,12,13)/t7-/m0/s1 CH$LINK: CHEBI CHEBI:16029 CH$LINK: KEGG C04259 -CH$LINK: PUBCHEM SID:6924 +CH$LINK: PUBCHEM CID:440274 CH$LINK: INCHIKEY IMOBSLOLPCWZKQ-ZETCQYMHSA-N CH$LINK: COMPTOX DTXSID60947821 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO002790.txt b/Keio_Univ/MSBNK-Keio_Univ-KO002790.txt index 7c0eda4f590..aa17bf6dd92 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO002790.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO002790.txt @@ -13,7 +13,7 @@ CH$SMILES: CN(C)[C@@H](CC1=CN=CN1)C(=O)O CH$IUPAC: InChI=1S/C8H13N3O2/c1-11(2)7(8(12)13)3-6-4-9-5-10-6/h4-5,7H,3H2,1-2H3,(H,9,10)(H,12,13)/t7-/m0/s1 CH$LINK: CHEBI CHEBI:16029 CH$LINK: KEGG C04259 -CH$LINK: PUBCHEM SID:6924 +CH$LINK: PUBCHEM CID:440274 CH$LINK: INCHIKEY IMOBSLOLPCWZKQ-ZETCQYMHSA-N CH$LINK: COMPTOX DTXSID60947821 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO002791.txt b/Keio_Univ/MSBNK-Keio_Univ-KO002791.txt index 340f36a9d82..671668caeb8 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO002791.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO002791.txt @@ -14,7 +14,7 @@ CH$IUPAC: InChI=1S/C13H14N4O/c18-13(16-14-11-7-3-1-4-8-11)17-15-12-9-5-2-6-10-12 CH$LINK: CAS 140-22-7 CH$LINK: KEGG C11232 CH$LINK: NIKKAJI J5.651K -CH$LINK: PUBCHEM SID:13411 +CH$LINK: PUBCHEM CID:8789 CH$LINK: INCHIKEY KSPIHGBHKVISFI-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID7059690 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO002792.txt b/Keio_Univ/MSBNK-Keio_Univ-KO002792.txt index 7bed9aa01c1..6331e19d1b8 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO002792.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO002792.txt @@ -14,7 +14,7 @@ CH$IUPAC: InChI=1S/C13H14N4O/c18-13(16-14-11-7-3-1-4-8-11)17-15-12-9-5-2-6-10-12 CH$LINK: CAS 140-22-7 CH$LINK: KEGG C11232 CH$LINK: NIKKAJI J5.651K -CH$LINK: PUBCHEM SID:13411 +CH$LINK: PUBCHEM CID:8789 CH$LINK: INCHIKEY KSPIHGBHKVISFI-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID7059690 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO002793.txt b/Keio_Univ/MSBNK-Keio_Univ-KO002793.txt index 2b8eac87bb2..5ed54e1401d 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO002793.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO002793.txt @@ -14,7 +14,7 @@ CH$IUPAC: InChI=1S/C13H14N4O/c18-13(16-14-11-7-3-1-4-8-11)17-15-12-9-5-2-6-10-12 CH$LINK: CAS 140-22-7 CH$LINK: KEGG C11232 CH$LINK: NIKKAJI J5.651K -CH$LINK: PUBCHEM SID:13411 +CH$LINK: PUBCHEM CID:8789 CH$LINK: INCHIKEY KSPIHGBHKVISFI-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID7059690 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO002794.txt b/Keio_Univ/MSBNK-Keio_Univ-KO002794.txt index 16b83d57d78..ea5942a4e86 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO002794.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO002794.txt @@ -14,7 +14,7 @@ CH$IUPAC: InChI=1S/C13H14N4O/c18-13(16-14-11-7-3-1-4-8-11)17-15-12-9-5-2-6-10-12 CH$LINK: CAS 140-22-7 CH$LINK: KEGG C11232 CH$LINK: NIKKAJI J5.651K -CH$LINK: PUBCHEM SID:13411 +CH$LINK: PUBCHEM CID:8789 CH$LINK: INCHIKEY KSPIHGBHKVISFI-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID7059690 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO002795.txt b/Keio_Univ/MSBNK-Keio_Univ-KO002795.txt index 12a0fb7edfc..2283b27e18c 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO002795.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO002795.txt @@ -14,7 +14,7 @@ CH$IUPAC: InChI=1S/C13H14N4O/c18-13(16-14-11-7-3-1-4-8-11)17-15-12-9-5-2-6-10-12 CH$LINK: CAS 140-22-7 CH$LINK: KEGG C11232 CH$LINK: NIKKAJI J5.651K -CH$LINK: PUBCHEM SID:13411 +CH$LINK: PUBCHEM CID:8789 CH$LINK: INCHIKEY KSPIHGBHKVISFI-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID7059690 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO002796.txt b/Keio_Univ/MSBNK-Keio_Univ-KO002796.txt index 58011fcfa08..17221c6117a 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO002796.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO002796.txt @@ -13,7 +13,7 @@ CH$IUPAC: InChI=1S/C6H12N2O3/c1-8(2)7-5(9)3-4-6(10)11/h3-4H2,1-2H3,(H,7,9)(H,10, CH$LINK: CAS 1596-84-5 CH$LINK: KEGG C10996 CH$LINK: NIKKAJI J1.772H -CH$LINK: PUBCHEM SID:13179 +CH$LINK: PUBCHEM CID:15331 CH$LINK: INCHIKEY NOQGZXFMHARMLW-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID9020370 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO002797.txt b/Keio_Univ/MSBNK-Keio_Univ-KO002797.txt index b52964e8152..116e1b2acbf 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO002797.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO002797.txt @@ -13,7 +13,7 @@ CH$IUPAC: InChI=1S/C6H12N2O3/c1-8(2)7-5(9)3-4-6(10)11/h3-4H2,1-2H3,(H,7,9)(H,10, CH$LINK: CAS 1596-84-5 CH$LINK: KEGG C10996 CH$LINK: NIKKAJI J1.772H -CH$LINK: PUBCHEM SID:13179 +CH$LINK: PUBCHEM CID:15331 CH$LINK: INCHIKEY NOQGZXFMHARMLW-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID9020370 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO002798.txt b/Keio_Univ/MSBNK-Keio_Univ-KO002798.txt index e0a381478e3..b0322bd5602 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO002798.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO002798.txt @@ -13,7 +13,7 @@ CH$IUPAC: InChI=1S/C6H12N2O3/c1-8(2)7-5(9)3-4-6(10)11/h3-4H2,1-2H3,(H,7,9)(H,10, CH$LINK: CAS 1596-84-5 CH$LINK: KEGG C10996 CH$LINK: NIKKAJI J1.772H -CH$LINK: PUBCHEM SID:13179 +CH$LINK: PUBCHEM CID:15331 CH$LINK: INCHIKEY NOQGZXFMHARMLW-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID9020370 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO002799.txt b/Keio_Univ/MSBNK-Keio_Univ-KO002799.txt index 01e414d7b13..029b039c94e 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO002799.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO002799.txt @@ -13,7 +13,7 @@ CH$IUPAC: InChI=1S/C6H12N2O3/c1-8(2)7-5(9)3-4-6(10)11/h3-4H2,1-2H3,(H,7,9)(H,10, CH$LINK: CAS 1596-84-5 CH$LINK: KEGG C10996 CH$LINK: NIKKAJI J1.772H -CH$LINK: PUBCHEM SID:13179 +CH$LINK: PUBCHEM CID:15331 CH$LINK: INCHIKEY NOQGZXFMHARMLW-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID9020370 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO002800.txt b/Keio_Univ/MSBNK-Keio_Univ-KO002800.txt index c4c3f146c35..fce725eb937 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO002800.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO002800.txt @@ -13,7 +13,7 @@ CH$IUPAC: InChI=1S/C6H12N2O3/c1-8(2)7-5(9)3-4-6(10)11/h3-4H2,1-2H3,(H,7,9)(H,10, CH$LINK: CAS 1596-84-5 CH$LINK: KEGG C10996 CH$LINK: NIKKAJI J1.772H -CH$LINK: PUBCHEM SID:13179 +CH$LINK: PUBCHEM CID:15331 CH$LINK: INCHIKEY NOQGZXFMHARMLW-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID9020370 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO002801.txt b/Keio_Univ/MSBNK-Keio_Univ-KO002801.txt index a0efa9b2f0e..0d5cb0cb122 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO002801.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO002801.txt @@ -14,7 +14,7 @@ CH$IUPAC: InChI=1S/C8H11N/c1-6-4-3-5-7(2)8(6)9/h3-5H,9H2,1-2H3 CH$LINK: CAS 87-62-7 CH$LINK: KEGG C11004 CH$LINK: NIKKAJI J43.456F -CH$LINK: PUBCHEM SID:13187 +CH$LINK: PUBCHEM CID:6896 CH$LINK: INCHIKEY UFFBMTHBGFGIHF-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID8026307 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO002802.txt b/Keio_Univ/MSBNK-Keio_Univ-KO002802.txt index 162fa98e4df..16c6922bc91 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO002802.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO002802.txt @@ -14,7 +14,7 @@ CH$IUPAC: InChI=1S/C8H11N/c1-6-4-3-5-7(2)8(6)9/h3-5H,9H2,1-2H3 CH$LINK: CAS 87-62-7 CH$LINK: KEGG C11004 CH$LINK: NIKKAJI J43.456F -CH$LINK: PUBCHEM SID:13187 +CH$LINK: PUBCHEM CID:6896 CH$LINK: INCHIKEY UFFBMTHBGFGIHF-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID8026307 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO002803.txt b/Keio_Univ/MSBNK-Keio_Univ-KO002803.txt index c317a4bf9d0..ccaab0dff57 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO002803.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO002803.txt @@ -14,7 +14,7 @@ CH$IUPAC: InChI=1S/C8H11N/c1-6-4-3-5-7(2)8(6)9/h3-5H,9H2,1-2H3 CH$LINK: CAS 87-62-7 CH$LINK: KEGG C11004 CH$LINK: NIKKAJI J43.456F -CH$LINK: PUBCHEM SID:13187 +CH$LINK: PUBCHEM CID:6896 CH$LINK: INCHIKEY UFFBMTHBGFGIHF-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID8026307 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO002804.txt b/Keio_Univ/MSBNK-Keio_Univ-KO002804.txt index 36fb3a31a0e..7f52cb6a44f 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO002804.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO002804.txt @@ -14,7 +14,7 @@ CH$IUPAC: InChI=1S/C8H11N/c1-6-4-3-5-7(2)8(6)9/h3-5H,9H2,1-2H3 CH$LINK: CAS 87-62-7 CH$LINK: KEGG C11004 CH$LINK: NIKKAJI J43.456F -CH$LINK: PUBCHEM SID:13187 +CH$LINK: PUBCHEM CID:6896 CH$LINK: INCHIKEY UFFBMTHBGFGIHF-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID8026307 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO002805.txt b/Keio_Univ/MSBNK-Keio_Univ-KO002805.txt index 6e097b26480..8d0a2740b86 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO002805.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO002805.txt @@ -14,7 +14,7 @@ CH$IUPAC: InChI=1S/C8H11N/c1-6-4-3-5-7(2)8(6)9/h3-5H,9H2,1-2H3 CH$LINK: CAS 87-62-7 CH$LINK: KEGG C11004 CH$LINK: NIKKAJI J43.456F -CH$LINK: PUBCHEM SID:13187 +CH$LINK: PUBCHEM CID:6896 CH$LINK: INCHIKEY UFFBMTHBGFGIHF-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID8026307 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO002806.txt b/Keio_Univ/MSBNK-Keio_Univ-KO002806.txt index 77b9ba811ae..84b74ef3286 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO002806.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO002806.txt @@ -14,7 +14,7 @@ CH$IUPAC: InChI=1S/C8H11N/c1-6-3-4-8(9)7(2)5-6/h3-5H,9H2,1-2H3 CH$LINK: CAS 95-68-1 CH$LINK: KEGG C11003 CH$LINK: NIKKAJI J358A -CH$LINK: PUBCHEM SID:13186 +CH$LINK: PUBCHEM CID:7250 CH$LINK: INCHIKEY CZZZABOKJQXEBO-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID8026305 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO002807.txt b/Keio_Univ/MSBNK-Keio_Univ-KO002807.txt index 2a1a8ca13be..81927d3fce8 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO002807.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO002807.txt @@ -14,7 +14,7 @@ CH$IUPAC: InChI=1S/C8H11N/c1-6-3-4-8(9)7(2)5-6/h3-5H,9H2,1-2H3 CH$LINK: CAS 95-68-1 CH$LINK: KEGG C11003 CH$LINK: NIKKAJI J358A -CH$LINK: PUBCHEM SID:13186 +CH$LINK: PUBCHEM CID:7250 CH$LINK: INCHIKEY CZZZABOKJQXEBO-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID8026305 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO002808.txt b/Keio_Univ/MSBNK-Keio_Univ-KO002808.txt index a9dc6741ccb..2f2ddbed577 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO002808.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO002808.txt @@ -14,7 +14,7 @@ CH$IUPAC: InChI=1S/C8H11N/c1-6-3-4-8(9)7(2)5-6/h3-5H,9H2,1-2H3 CH$LINK: CAS 95-68-1 CH$LINK: KEGG C11003 CH$LINK: NIKKAJI J358A -CH$LINK: PUBCHEM SID:13186 +CH$LINK: PUBCHEM CID:7250 CH$LINK: INCHIKEY CZZZABOKJQXEBO-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID8026305 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO002809.txt b/Keio_Univ/MSBNK-Keio_Univ-KO002809.txt index 7e792df44aa..9f5c0d8f251 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO002809.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO002809.txt @@ -14,7 +14,7 @@ CH$IUPAC: InChI=1S/C8H11N/c1-6-3-4-8(9)7(2)5-6/h3-5H,9H2,1-2H3 CH$LINK: CAS 95-68-1 CH$LINK: KEGG C11003 CH$LINK: NIKKAJI J358A -CH$LINK: PUBCHEM SID:13186 +CH$LINK: PUBCHEM CID:7250 CH$LINK: INCHIKEY CZZZABOKJQXEBO-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID8026305 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO002810.txt b/Keio_Univ/MSBNK-Keio_Univ-KO002810.txt index 56c77ba6dce..a593f259136 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO002810.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO002810.txt @@ -14,7 +14,7 @@ CH$IUPAC: InChI=1S/C8H11N/c1-6-3-4-8(9)7(2)5-6/h3-5H,9H2,1-2H3 CH$LINK: CAS 95-68-1 CH$LINK: KEGG C11003 CH$LINK: NIKKAJI J358A -CH$LINK: PUBCHEM SID:13186 +CH$LINK: PUBCHEM CID:7250 CH$LINK: INCHIKEY CZZZABOKJQXEBO-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID8026305 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO002811.txt b/Keio_Univ/MSBNK-Keio_Univ-KO002811.txt index 3cad70dfe33..6b950bc413f 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO002811.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO002811.txt @@ -14,7 +14,7 @@ CH$IUPAC: InChI=1S/C10H14N4O4/c1-12-8-7(9(17)13(2)10(12)18)14(5-11-8)3-6(16)4-15 CH$LINK: CAS 479-18-5 CH$LINK: KEGG C07819 CH$LINK: NIKKAJI J2.054K -CH$LINK: PUBCHEM SID:10021 +CH$LINK: PUBCHEM CID:3182 CH$LINK: INCHIKEY KSCFJBIXMNOVSH-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID6022975 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO002812.txt b/Keio_Univ/MSBNK-Keio_Univ-KO002812.txt index 2c51fb5a86b..ea52cd29f52 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO002812.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO002812.txt @@ -14,7 +14,7 @@ CH$IUPAC: InChI=1S/C10H14N4O4/c1-12-8-7(9(17)13(2)10(12)18)14(5-11-8)3-6(16)4-15 CH$LINK: CAS 479-18-5 CH$LINK: KEGG C07819 CH$LINK: NIKKAJI J2.054K -CH$LINK: PUBCHEM SID:10021 +CH$LINK: PUBCHEM CID:3182 CH$LINK: INCHIKEY KSCFJBIXMNOVSH-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID6022975 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO002813.txt b/Keio_Univ/MSBNK-Keio_Univ-KO002813.txt index 003ebf4bdda..c72f255aae2 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO002813.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO002813.txt @@ -14,7 +14,7 @@ CH$IUPAC: InChI=1S/C10H14N4O4/c1-12-8-7(9(17)13(2)10(12)18)14(5-11-8)3-6(16)4-15 CH$LINK: CAS 479-18-5 CH$LINK: KEGG C07819 CH$LINK: NIKKAJI J2.054K -CH$LINK: PUBCHEM SID:10021 +CH$LINK: PUBCHEM CID:3182 CH$LINK: INCHIKEY KSCFJBIXMNOVSH-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID6022975 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO002814.txt b/Keio_Univ/MSBNK-Keio_Univ-KO002814.txt index 4d9a3b6bbed..c9b3729b62d 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO002814.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO002814.txt @@ -14,7 +14,7 @@ CH$IUPAC: InChI=1S/C10H14N4O4/c1-12-8-7(9(17)13(2)10(12)18)14(5-11-8)3-6(16)4-15 CH$LINK: CAS 479-18-5 CH$LINK: KEGG C07819 CH$LINK: NIKKAJI J2.054K -CH$LINK: PUBCHEM SID:10021 +CH$LINK: PUBCHEM CID:3182 CH$LINK: INCHIKEY KSCFJBIXMNOVSH-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID6022975 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO002815.txt b/Keio_Univ/MSBNK-Keio_Univ-KO002815.txt index 18317ba1c36..efebd10a009 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO002815.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO002815.txt @@ -14,7 +14,7 @@ CH$IUPAC: InChI=1S/C10H14N4O4/c1-12-8-7(9(17)13(2)10(12)18)14(5-11-8)3-6(16)4-15 CH$LINK: CAS 479-18-5 CH$LINK: KEGG C07819 CH$LINK: NIKKAJI J2.054K -CH$LINK: PUBCHEM SID:10021 +CH$LINK: PUBCHEM CID:3182 CH$LINK: INCHIKEY KSCFJBIXMNOVSH-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID6022975 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO002816.txt b/Keio_Univ/MSBNK-Keio_Univ-KO002816.txt index 10b8ccd3095..0f602203b26 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO002816.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO002816.txt @@ -13,7 +13,7 @@ CH$IUPAC: InChI=1S/C18H23NO3/c1-13(2-3-14-4-7-16(20)8-5-14)19-11-10-15-6-9-17(21 CH$LINK: CAS 34368-04-2 CH$LINK: KEGG C06967 CH$LINK: NIKKAJI J244.475E -CH$LINK: PUBCHEM SID:9181 +CH$LINK: PUBCHEM CID:36811 CH$LINK: INCHIKEY JRWZLRBJNMZMFE-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID3022958 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO002817.txt b/Keio_Univ/MSBNK-Keio_Univ-KO002817.txt index 7a04d0809a4..88e0108fe50 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO002817.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO002817.txt @@ -13,7 +13,7 @@ CH$IUPAC: InChI=1S/C18H23NO3/c1-13(2-3-14-4-7-16(20)8-5-14)19-11-10-15-6-9-17(21 CH$LINK: CAS 34368-04-2 CH$LINK: KEGG C06967 CH$LINK: NIKKAJI J244.475E -CH$LINK: PUBCHEM SID:9181 +CH$LINK: PUBCHEM CID:36811 CH$LINK: INCHIKEY JRWZLRBJNMZMFE-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID3022958 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO002818.txt b/Keio_Univ/MSBNK-Keio_Univ-KO002818.txt index 562022a02ad..01848f27c14 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO002818.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO002818.txt @@ -13,7 +13,7 @@ CH$IUPAC: InChI=1S/C18H23NO3/c1-13(2-3-14-4-7-16(20)8-5-14)19-11-10-15-6-9-17(21 CH$LINK: CAS 34368-04-2 CH$LINK: KEGG C06967 CH$LINK: NIKKAJI J244.475E -CH$LINK: PUBCHEM SID:9181 +CH$LINK: PUBCHEM CID:36811 CH$LINK: INCHIKEY JRWZLRBJNMZMFE-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID3022958 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO002819.txt b/Keio_Univ/MSBNK-Keio_Univ-KO002819.txt index ec4fcc87d9e..66133cfda19 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO002819.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO002819.txt @@ -13,7 +13,7 @@ CH$IUPAC: InChI=1S/C18H23NO3/c1-13(2-3-14-4-7-16(20)8-5-14)19-11-10-15-6-9-17(21 CH$LINK: CAS 34368-04-2 CH$LINK: KEGG C06967 CH$LINK: NIKKAJI J244.475E -CH$LINK: PUBCHEM SID:9181 +CH$LINK: PUBCHEM CID:36811 CH$LINK: INCHIKEY JRWZLRBJNMZMFE-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID3022958 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO002820.txt b/Keio_Univ/MSBNK-Keio_Univ-KO002820.txt index 89f6e0a4b92..751d6bc54e1 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO002820.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO002820.txt @@ -13,7 +13,7 @@ CH$IUPAC: InChI=1S/C18H23NO3/c1-13(2-3-14-4-7-16(20)8-5-14)19-11-10-15-6-9-17(21 CH$LINK: CAS 34368-04-2 CH$LINK: KEGG C06967 CH$LINK: NIKKAJI J244.475E -CH$LINK: PUBCHEM SID:9181 +CH$LINK: PUBCHEM CID:36811 CH$LINK: INCHIKEY JRWZLRBJNMZMFE-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID3022958 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO002821.txt b/Keio_Univ/MSBNK-Keio_Univ-KO002821.txt index 80ec5181d4a..0b802e3eb3f 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO002821.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO002821.txt @@ -13,7 +13,7 @@ CH$SMILES: CCNC(=O)CC[C@H](N)C(O)=O CH$IUPAC: InChI=1S/C7H14N2O3/c1-2-9-6(10)4-3-5(8)7(11)12/h5H,2-4,8H2,1H3,(H,9,10)(H,11,12)/t5-/m0/s1 CH$LINK: CHEBI CHEBI:17394 CH$LINK: KEGG C01047 -CH$LINK: PUBCHEM SID:4289 +CH$LINK: PUBCHEM CID:439378 CH$LINK: INCHIKEY DATAGRPVKZEWHA-YFKPBYRVSA-N CH$LINK: COMPTOX DTXSID80184817 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO002822.txt b/Keio_Univ/MSBNK-Keio_Univ-KO002822.txt index 4732ba7d872..c8998cf1173 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO002822.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO002822.txt @@ -13,7 +13,7 @@ CH$SMILES: CCNC(=O)CC[C@H](N)C(O)=O CH$IUPAC: InChI=1S/C7H14N2O3/c1-2-9-6(10)4-3-5(8)7(11)12/h5H,2-4,8H2,1H3,(H,9,10)(H,11,12)/t5-/m0/s1 CH$LINK: CHEBI CHEBI:17394 CH$LINK: KEGG C01047 -CH$LINK: PUBCHEM SID:4289 +CH$LINK: PUBCHEM CID:439378 CH$LINK: INCHIKEY DATAGRPVKZEWHA-YFKPBYRVSA-N CH$LINK: COMPTOX DTXSID80184817 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO002823.txt b/Keio_Univ/MSBNK-Keio_Univ-KO002823.txt index c8c95aaa3dc..66009c750ba 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO002823.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO002823.txt @@ -13,7 +13,7 @@ CH$SMILES: CCNC(=O)CC[C@H](N)C(O)=O CH$IUPAC: InChI=1S/C7H14N2O3/c1-2-9-6(10)4-3-5(8)7(11)12/h5H,2-4,8H2,1H3,(H,9,10)(H,11,12)/t5-/m0/s1 CH$LINK: CHEBI CHEBI:17394 CH$LINK: KEGG C01047 -CH$LINK: PUBCHEM SID:4289 +CH$LINK: PUBCHEM CID:439378 CH$LINK: INCHIKEY DATAGRPVKZEWHA-YFKPBYRVSA-N CH$LINK: COMPTOX DTXSID80184817 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO002824.txt b/Keio_Univ/MSBNK-Keio_Univ-KO002824.txt index da54646d735..954c6ec4500 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO002824.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO002824.txt @@ -13,7 +13,7 @@ CH$SMILES: CCNC(=O)CC[C@H](N)C(O)=O CH$IUPAC: InChI=1S/C7H14N2O3/c1-2-9-6(10)4-3-5(8)7(11)12/h5H,2-4,8H2,1H3,(H,9,10)(H,11,12)/t5-/m0/s1 CH$LINK: CHEBI CHEBI:17394 CH$LINK: KEGG C01047 -CH$LINK: PUBCHEM SID:4289 +CH$LINK: PUBCHEM CID:439378 CH$LINK: INCHIKEY DATAGRPVKZEWHA-YFKPBYRVSA-N CH$LINK: COMPTOX DTXSID80184817 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO002825.txt b/Keio_Univ/MSBNK-Keio_Univ-KO002825.txt index 887210dde05..8f3be2ef79a 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO002825.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO002825.txt @@ -14,7 +14,7 @@ CH$IUPAC: InChI=1S/C15H21N3O2/c1-15-7-8-17(3)13(15)18(4)12-6-5-10(9-11(12)15)20- CH$LINK: CAS 57-47-6 CH$LINK: KEGG C06535 CH$LINK: NIKKAJI J4.579I -CH$LINK: PUBCHEM SID:8765 +CH$LINK: PUBCHEM CID:5983 CH$LINK: INCHIKEY PIJVFDBKTWXHHD-HIFRSBDPSA-N CH$LINK: COMPTOX DTXSID3023471 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO002826.txt b/Keio_Univ/MSBNK-Keio_Univ-KO002826.txt index fcfcafe6599..3f40ed3888d 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO002826.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO002826.txt @@ -14,7 +14,7 @@ CH$IUPAC: InChI=1S/C15H21N3O2/c1-15-7-8-17(3)13(15)18(4)12-6-5-10(9-11(12)15)20- CH$LINK: CAS 57-47-6 CH$LINK: KEGG C06535 CH$LINK: NIKKAJI J4.579I -CH$LINK: PUBCHEM SID:8765 +CH$LINK: PUBCHEM CID:5983 CH$LINK: INCHIKEY PIJVFDBKTWXHHD-HIFRSBDPSA-N CH$LINK: COMPTOX DTXSID3023471 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO002827.txt b/Keio_Univ/MSBNK-Keio_Univ-KO002827.txt index d0140460046..a6904d9b537 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO002827.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO002827.txt @@ -14,7 +14,7 @@ CH$IUPAC: InChI=1S/C15H21N3O2/c1-15-7-8-17(3)13(15)18(4)12-6-5-10(9-11(12)15)20- CH$LINK: CAS 57-47-6 CH$LINK: KEGG C06535 CH$LINK: NIKKAJI J4.579I -CH$LINK: PUBCHEM SID:8765 +CH$LINK: PUBCHEM CID:5983 CH$LINK: INCHIKEY PIJVFDBKTWXHHD-HIFRSBDPSA-N CH$LINK: COMPTOX DTXSID3023471 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO002828.txt b/Keio_Univ/MSBNK-Keio_Univ-KO002828.txt index 1a2a8ca309a..b28d58751d2 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO002828.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO002828.txt @@ -14,7 +14,7 @@ CH$IUPAC: InChI=1S/C15H21N3O2/c1-15-7-8-17(3)13(15)18(4)12-6-5-10(9-11(12)15)20- CH$LINK: CAS 57-47-6 CH$LINK: KEGG C06535 CH$LINK: NIKKAJI J4.579I -CH$LINK: PUBCHEM SID:8765 +CH$LINK: PUBCHEM CID:5983 CH$LINK: INCHIKEY PIJVFDBKTWXHHD-HIFRSBDPSA-N CH$LINK: COMPTOX DTXSID3023471 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO002829.txt b/Keio_Univ/MSBNK-Keio_Univ-KO002829.txt index 0d2103b868a..cff9fc06ef6 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO002829.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO002829.txt @@ -14,7 +14,7 @@ CH$IUPAC: InChI=1S/C15H21N3O2/c1-15-7-8-17(3)13(15)18(4)12-6-5-10(9-11(12)15)20- CH$LINK: CAS 57-47-6 CH$LINK: KEGG C06535 CH$LINK: NIKKAJI J4.579I -CH$LINK: PUBCHEM SID:8765 +CH$LINK: PUBCHEM CID:5983 CH$LINK: INCHIKEY PIJVFDBKTWXHHD-HIFRSBDPSA-N CH$LINK: COMPTOX DTXSID3023471 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO002830.txt b/Keio_Univ/MSBNK-Keio_Univ-KO002830.txt index 93ee171b717..f5924635fb1 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO002830.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO002830.txt @@ -15,7 +15,7 @@ CH$LINK: CHEBI CHEBI:7269 CH$LINK: CHEMPDB NEQ CH$LINK: KEGG C02441 CH$LINK: NIKKAJI J21.254G -CH$LINK: PUBCHEM SID:5463 +CH$LINK: PUBCHEM CID:4362 CH$LINK: INCHIKEY HDFGOPSGAURCEO-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID1059573 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO002831.txt b/Keio_Univ/MSBNK-Keio_Univ-KO002831.txt index 09eee7bee6f..e7bb060bfcf 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO002831.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO002831.txt @@ -15,7 +15,7 @@ CH$LINK: CHEBI CHEBI:7269 CH$LINK: CHEMPDB NEQ CH$LINK: KEGG C02441 CH$LINK: NIKKAJI J21.254G -CH$LINK: PUBCHEM SID:5463 +CH$LINK: PUBCHEM CID:4362 CH$LINK: INCHIKEY HDFGOPSGAURCEO-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID1059573 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO002832.txt b/Keio_Univ/MSBNK-Keio_Univ-KO002832.txt index fd8e3bbf343..d94db004591 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO002832.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO002832.txt @@ -15,7 +15,7 @@ CH$LINK: CHEBI CHEBI:7269 CH$LINK: CHEMPDB NEQ CH$LINK: KEGG C02441 CH$LINK: NIKKAJI J21.254G -CH$LINK: PUBCHEM SID:5463 +CH$LINK: PUBCHEM CID:4362 CH$LINK: INCHIKEY HDFGOPSGAURCEO-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID1059573 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO002833.txt b/Keio_Univ/MSBNK-Keio_Univ-KO002833.txt index cc52600b8db..3e8b57e2e00 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO002833.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO002833.txt @@ -15,7 +15,7 @@ CH$LINK: CHEBI CHEBI:7269 CH$LINK: CHEMPDB NEQ CH$LINK: KEGG C02441 CH$LINK: NIKKAJI J21.254G -CH$LINK: PUBCHEM SID:5463 +CH$LINK: PUBCHEM CID:4362 CH$LINK: INCHIKEY HDFGOPSGAURCEO-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID1059573 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO002839.txt b/Keio_Univ/MSBNK-Keio_Univ-KO002839.txt index c51079879ba..3f2d6dc1f9d 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO002839.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO002839.txt @@ -14,7 +14,7 @@ CH$IUPAC: InChI=1S/C9H13NO2/c1-10-5-4-7-2-3-8(11)9(12)6-7/h2-3,6,10-12H,4-5H2,1H CH$LINK: CAS 501-15-5 CH$LINK: KEGG C07453 CH$LINK: NIKKAJI J6.117D -CH$LINK: PUBCHEM SID:9656 +CH$LINK: PUBCHEM CID:4382 CH$LINK: INCHIKEY NGKZFDYBISXGGS-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID10198205 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO002840.txt b/Keio_Univ/MSBNK-Keio_Univ-KO002840.txt index 3ce83a3f25d..8e205a46aaf 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO002840.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO002840.txt @@ -14,7 +14,7 @@ CH$IUPAC: InChI=1S/C9H13NO2/c1-10-5-4-7-2-3-8(11)9(12)6-7/h2-3,6,10-12H,4-5H2,1H CH$LINK: CAS 501-15-5 CH$LINK: KEGG C07453 CH$LINK: NIKKAJI J6.117D -CH$LINK: PUBCHEM SID:9656 +CH$LINK: PUBCHEM CID:4382 CH$LINK: INCHIKEY NGKZFDYBISXGGS-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID10198205 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO002841.txt b/Keio_Univ/MSBNK-Keio_Univ-KO002841.txt index b30990ff2d2..8acc598a8c5 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO002841.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO002841.txt @@ -14,7 +14,7 @@ CH$IUPAC: InChI=1S/C9H13NO2/c1-10-5-4-7-2-3-8(11)9(12)6-7/h2-3,6,10-12H,4-5H2,1H CH$LINK: CAS 501-15-5 CH$LINK: KEGG C07453 CH$LINK: NIKKAJI J6.117D -CH$LINK: PUBCHEM SID:9656 +CH$LINK: PUBCHEM CID:4382 CH$LINK: INCHIKEY NGKZFDYBISXGGS-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID10198205 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO002842.txt b/Keio_Univ/MSBNK-Keio_Univ-KO002842.txt index 20c6607fa50..05d1e929c98 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO002842.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO002842.txt @@ -14,7 +14,7 @@ CH$IUPAC: InChI=1S/C9H13NO2/c1-10-5-4-7-2-3-8(11)9(12)6-7/h2-3,6,10-12H,4-5H2,1H CH$LINK: CAS 501-15-5 CH$LINK: KEGG C07453 CH$LINK: NIKKAJI J6.117D -CH$LINK: PUBCHEM SID:9656 +CH$LINK: PUBCHEM CID:4382 CH$LINK: INCHIKEY NGKZFDYBISXGGS-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID10198205 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO002843.txt b/Keio_Univ/MSBNK-Keio_Univ-KO002843.txt index 2bd1bc54a7b..e36c9c83d7d 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO002843.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO002843.txt @@ -14,7 +14,7 @@ CH$IUPAC: InChI=1S/C9H13NO2/c1-10-5-4-7-2-3-8(11)9(12)6-7/h2-3,6,10-12H,4-5H2,1H CH$LINK: CAS 501-15-5 CH$LINK: KEGG C07453 CH$LINK: NIKKAJI J6.117D -CH$LINK: PUBCHEM SID:9656 +CH$LINK: PUBCHEM CID:4382 CH$LINK: INCHIKEY NGKZFDYBISXGGS-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID10198205 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO002849.txt b/Keio_Univ/MSBNK-Keio_Univ-KO002849.txt index 5e44fcd0007..ce0407148a7 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO002849.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO002849.txt @@ -16,7 +16,7 @@ CH$LINK: CAS 141-43-5 CH$LINK: CHEBI CHEBI:16000 CH$LINK: KEGG C00189 CH$LINK: NIKKAJI J2.536D -CH$LINK: PUBCHEM SID:3489 +CH$LINK: PUBCHEM CID:700 CH$LINK: INCHIKEY HZAXFHJVJLSVMW-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID6022000 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO002850.txt b/Keio_Univ/MSBNK-Keio_Univ-KO002850.txt index 88b267db40f..d947f3d8bd4 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO002850.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO002850.txt @@ -16,7 +16,7 @@ CH$LINK: CAS 141-43-5 CH$LINK: CHEBI CHEBI:16000 CH$LINK: KEGG C00189 CH$LINK: NIKKAJI J2.536D -CH$LINK: PUBCHEM SID:3489 +CH$LINK: PUBCHEM CID:700 CH$LINK: INCHIKEY HZAXFHJVJLSVMW-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID6022000 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO002851.txt b/Keio_Univ/MSBNK-Keio_Univ-KO002851.txt index 4a929384e97..c4c5ea9ec2e 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO002851.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO002851.txt @@ -16,7 +16,7 @@ CH$LINK: CAS 141-43-5 CH$LINK: CHEBI CHEBI:16000 CH$LINK: KEGG C00189 CH$LINK: NIKKAJI J2.536D -CH$LINK: PUBCHEM SID:3489 +CH$LINK: PUBCHEM CID:700 CH$LINK: INCHIKEY HZAXFHJVJLSVMW-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID6022000 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO002852.txt b/Keio_Univ/MSBNK-Keio_Univ-KO002852.txt index d188d19efae..516df65ca08 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO002852.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO002852.txt @@ -16,7 +16,7 @@ CH$LINK: CAS 141-43-5 CH$LINK: CHEBI CHEBI:16000 CH$LINK: KEGG C00189 CH$LINK: NIKKAJI J2.536D -CH$LINK: PUBCHEM SID:3489 +CH$LINK: PUBCHEM CID:700 CH$LINK: INCHIKEY HZAXFHJVJLSVMW-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID6022000 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO002853.txt b/Keio_Univ/MSBNK-Keio_Univ-KO002853.txt index 6675b317428..8a13fdd73bf 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO002853.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO002853.txt @@ -16,7 +16,7 @@ CH$LINK: CAS 141-43-5 CH$LINK: CHEBI CHEBI:16000 CH$LINK: KEGG C00189 CH$LINK: NIKKAJI J2.536D -CH$LINK: PUBCHEM SID:3489 +CH$LINK: PUBCHEM CID:700 CH$LINK: INCHIKEY HZAXFHJVJLSVMW-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID6022000 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO002854.txt b/Keio_Univ/MSBNK-Keio_Univ-KO002854.txt index 7886fa9b706..304cd68100f 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO002854.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO002854.txt @@ -14,7 +14,7 @@ CH$LINK: CAS 75-04-7 CH$LINK: CHEBI CHEBI:15862 CH$LINK: KEGG C00797 CH$LINK: NIKKAJI J1.437K -CH$LINK: PUBCHEM SID:4055 +CH$LINK: PUBCHEM CID:6341 CH$LINK: INCHIKEY QUSNBJAOOMFDIB-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID8025678 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO002855.txt b/Keio_Univ/MSBNK-Keio_Univ-KO002855.txt index e245c5a4d1e..0367797826a 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO002855.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO002855.txt @@ -14,7 +14,7 @@ CH$LINK: CAS 75-04-7 CH$LINK: CHEBI CHEBI:15862 CH$LINK: KEGG C00797 CH$LINK: NIKKAJI J1.437K -CH$LINK: PUBCHEM SID:4055 +CH$LINK: PUBCHEM CID:6341 CH$LINK: INCHIKEY QUSNBJAOOMFDIB-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID8025678 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO002856.txt b/Keio_Univ/MSBNK-Keio_Univ-KO002856.txt index d7a333f2da8..2bdf13e150c 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO002856.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO002856.txt @@ -14,7 +14,7 @@ CH$LINK: CAS 75-04-7 CH$LINK: CHEBI CHEBI:15862 CH$LINK: KEGG C00797 CH$LINK: NIKKAJI J1.437K -CH$LINK: PUBCHEM SID:4055 +CH$LINK: PUBCHEM CID:6341 CH$LINK: INCHIKEY QUSNBJAOOMFDIB-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID8025678 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO002857.txt b/Keio_Univ/MSBNK-Keio_Univ-KO002857.txt index 43ae551b502..80739d42189 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO002857.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO002857.txt @@ -14,7 +14,7 @@ CH$LINK: CAS 75-04-7 CH$LINK: CHEBI CHEBI:15862 CH$LINK: KEGG C00797 CH$LINK: NIKKAJI J1.437K -CH$LINK: PUBCHEM SID:4055 +CH$LINK: PUBCHEM CID:6341 CH$LINK: INCHIKEY QUSNBJAOOMFDIB-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID8025678 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO002858.txt b/Keio_Univ/MSBNK-Keio_Univ-KO002858.txt index f9520932978..0732d52b6e2 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO002858.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO002858.txt @@ -14,7 +14,7 @@ CH$LINK: CAS 75-04-7 CH$LINK: CHEBI CHEBI:15862 CH$LINK: KEGG C00797 CH$LINK: NIKKAJI J1.437K -CH$LINK: PUBCHEM SID:4055 +CH$LINK: PUBCHEM CID:6341 CH$LINK: INCHIKEY QUSNBJAOOMFDIB-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID8025678 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO002859.txt b/Keio_Univ/MSBNK-Keio_Univ-KO002859.txt index 41f7bf8575e..f6288ad4b05 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO002859.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO002859.txt @@ -21,7 +21,7 @@ CH$LINK: CAS 51-43-4 CH$LINK: CHEBI CHEBI:28918 CH$LINK: KEGG C00788 CH$LINK: NIKKAJI J9.224J -CH$LINK: PUBCHEM SID:4046 +CH$LINK: PUBCHEM CID:5816 CH$LINK: INCHIKEY UCTWMZQNUQWSLP-VIFPVBQESA-N CH$LINK: COMPTOX DTXSID5022986 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO002860.txt b/Keio_Univ/MSBNK-Keio_Univ-KO002860.txt index 7c2ac70174d..376300029c3 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO002860.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO002860.txt @@ -21,7 +21,7 @@ CH$LINK: CAS 51-43-4 CH$LINK: CHEBI CHEBI:28918 CH$LINK: KEGG C00788 CH$LINK: NIKKAJI J9.224J -CH$LINK: PUBCHEM SID:4046 +CH$LINK: PUBCHEM CID:5816 CH$LINK: INCHIKEY UCTWMZQNUQWSLP-VIFPVBQESA-N CH$LINK: COMPTOX DTXSID5022986 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO002861.txt b/Keio_Univ/MSBNK-Keio_Univ-KO002861.txt index e61570ebcd7..5309a11492b 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO002861.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO002861.txt @@ -21,7 +21,7 @@ CH$LINK: CAS 51-43-4 CH$LINK: CHEBI CHEBI:28918 CH$LINK: KEGG C00788 CH$LINK: NIKKAJI J9.224J -CH$LINK: PUBCHEM SID:4046 +CH$LINK: PUBCHEM CID:5816 CH$LINK: INCHIKEY UCTWMZQNUQWSLP-VIFPVBQESA-N CH$LINK: COMPTOX DTXSID5022986 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO002862.txt b/Keio_Univ/MSBNK-Keio_Univ-KO002862.txt index bb27979c793..6966d47fd8e 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO002862.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO002862.txt @@ -21,7 +21,7 @@ CH$LINK: CAS 51-43-4 CH$LINK: CHEBI CHEBI:28918 CH$LINK: KEGG C00788 CH$LINK: NIKKAJI J9.224J -CH$LINK: PUBCHEM SID:4046 +CH$LINK: PUBCHEM CID:5816 CH$LINK: INCHIKEY UCTWMZQNUQWSLP-VIFPVBQESA-N CH$LINK: COMPTOX DTXSID5022986 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO002863.txt b/Keio_Univ/MSBNK-Keio_Univ-KO002863.txt index 1735f1e61de..8982a7d202b 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO002863.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO002863.txt @@ -21,7 +21,7 @@ CH$LINK: CAS 51-43-4 CH$LINK: CHEBI CHEBI:28918 CH$LINK: KEGG C00788 CH$LINK: NIKKAJI J9.224J -CH$LINK: PUBCHEM SID:4046 +CH$LINK: PUBCHEM CID:5816 CH$LINK: INCHIKEY UCTWMZQNUQWSLP-VIFPVBQESA-N CH$LINK: COMPTOX DTXSID5022986 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO002869.txt b/Keio_Univ/MSBNK-Keio_Univ-KO002869.txt index 91d9067a72a..63e1e00d5e7 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO002869.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO002869.txt @@ -21,7 +21,7 @@ CH$LINK: CAS 51-43-4 CH$LINK: CHEBI CHEBI:28918 CH$LINK: KEGG C00788 CH$LINK: NIKKAJI J9.224J -CH$LINK: PUBCHEM SID:4046 +CH$LINK: PUBCHEM CID:5816 CH$LINK: INCHIKEY UCTWMZQNUQWSLP-VIFPVBQESA-N CH$LINK: COMPTOX DTXSID5022986 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO002870.txt b/Keio_Univ/MSBNK-Keio_Univ-KO002870.txt index 91b833fd75d..07b14e40ba3 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO002870.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO002870.txt @@ -21,7 +21,7 @@ CH$LINK: CAS 51-43-4 CH$LINK: CHEBI CHEBI:28918 CH$LINK: KEGG C00788 CH$LINK: NIKKAJI J9.224J -CH$LINK: PUBCHEM SID:4046 +CH$LINK: PUBCHEM CID:5816 CH$LINK: INCHIKEY UCTWMZQNUQWSLP-VIFPVBQESA-N CH$LINK: COMPTOX DTXSID5022986 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO002871.txt b/Keio_Univ/MSBNK-Keio_Univ-KO002871.txt index c12f805e8b4..c9375c662c8 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO002871.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO002871.txt @@ -21,7 +21,7 @@ CH$LINK: CAS 51-43-4 CH$LINK: CHEBI CHEBI:28918 CH$LINK: KEGG C00788 CH$LINK: NIKKAJI J9.224J -CH$LINK: PUBCHEM SID:4046 +CH$LINK: PUBCHEM CID:5816 CH$LINK: INCHIKEY UCTWMZQNUQWSLP-VIFPVBQESA-N CH$LINK: COMPTOX DTXSID5022986 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO002872.txt b/Keio_Univ/MSBNK-Keio_Univ-KO002872.txt index 3cbc33c90b0..b744d311837 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO002872.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO002872.txt @@ -21,7 +21,7 @@ CH$LINK: CAS 51-43-4 CH$LINK: CHEBI CHEBI:28918 CH$LINK: KEGG C00788 CH$LINK: NIKKAJI J9.224J -CH$LINK: PUBCHEM SID:4046 +CH$LINK: PUBCHEM CID:5816 CH$LINK: INCHIKEY UCTWMZQNUQWSLP-VIFPVBQESA-N CH$LINK: COMPTOX DTXSID5022986 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO002873.txt b/Keio_Univ/MSBNK-Keio_Univ-KO002873.txt index 90880d58e26..f180d5a735e 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO002873.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO002873.txt @@ -21,7 +21,7 @@ CH$LINK: CAS 51-43-4 CH$LINK: CHEBI CHEBI:28918 CH$LINK: KEGG C00788 CH$LINK: NIKKAJI J9.224J -CH$LINK: PUBCHEM SID:4046 +CH$LINK: PUBCHEM CID:5816 CH$LINK: INCHIKEY UCTWMZQNUQWSLP-VIFPVBQESA-N CH$LINK: COMPTOX DTXSID5022986 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO002874.txt b/Keio_Univ/MSBNK-Keio_Univ-KO002874.txt index 0dd45cc12af..fee038d8dd6 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO002874.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO002874.txt @@ -14,7 +14,7 @@ CH$IUPAC: InChI=1S/C6H13NO2S/c1-2-10-4-3-5(7)6(8)9/h5H,2-4,7H2,1H3,(H,8,9)/t5-/m CH$LINK: CAS 13073-35-3 CH$LINK: KEGG C11227 CH$LINK: NIKKAJI J9.260F -CH$LINK: PUBCHEM SID:13406 +CH$LINK: PUBCHEM CID:25674 CH$LINK: INCHIKEY GGLZPLKKBSSKCX-YFKPBYRVSA-N CH$LINK: COMPTOX DTXSID5020578 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO002875.txt b/Keio_Univ/MSBNK-Keio_Univ-KO002875.txt index 1c3f548f1df..7c82f9861d0 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO002875.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO002875.txt @@ -14,7 +14,7 @@ CH$IUPAC: InChI=1S/C6H13NO2S/c1-2-10-4-3-5(7)6(8)9/h5H,2-4,7H2,1H3,(H,8,9)/t5-/m CH$LINK: CAS 13073-35-3 CH$LINK: KEGG C11227 CH$LINK: NIKKAJI J9.260F -CH$LINK: PUBCHEM SID:13406 +CH$LINK: PUBCHEM CID:25674 CH$LINK: INCHIKEY GGLZPLKKBSSKCX-YFKPBYRVSA-N CH$LINK: COMPTOX DTXSID5020578 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO002876.txt b/Keio_Univ/MSBNK-Keio_Univ-KO002876.txt index dad1e6e9b1d..9f2ba02a251 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO002876.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO002876.txt @@ -14,7 +14,7 @@ CH$IUPAC: InChI=1S/C6H13NO2S/c1-2-10-4-3-5(7)6(8)9/h5H,2-4,7H2,1H3,(H,8,9)/t5-/m CH$LINK: CAS 13073-35-3 CH$LINK: KEGG C11227 CH$LINK: NIKKAJI J9.260F -CH$LINK: PUBCHEM SID:13406 +CH$LINK: PUBCHEM CID:25674 CH$LINK: INCHIKEY GGLZPLKKBSSKCX-YFKPBYRVSA-N CH$LINK: COMPTOX DTXSID5020578 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO002877.txt b/Keio_Univ/MSBNK-Keio_Univ-KO002877.txt index 0900e716bc3..f8c1d2b4166 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO002877.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO002877.txt @@ -14,7 +14,7 @@ CH$IUPAC: InChI=1S/C6H13NO2S/c1-2-10-4-3-5(7)6(8)9/h5H,2-4,7H2,1H3,(H,8,9)/t5-/m CH$LINK: CAS 13073-35-3 CH$LINK: KEGG C11227 CH$LINK: NIKKAJI J9.260F -CH$LINK: PUBCHEM SID:13406 +CH$LINK: PUBCHEM CID:25674 CH$LINK: INCHIKEY GGLZPLKKBSSKCX-YFKPBYRVSA-N CH$LINK: COMPTOX DTXSID5020578 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO002878.txt b/Keio_Univ/MSBNK-Keio_Univ-KO002878.txt index 3ae1541ae37..e9800c36d26 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO002878.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO002878.txt @@ -14,7 +14,7 @@ CH$IUPAC: InChI=1S/C6H13NO2S/c1-2-10-4-3-5(7)6(8)9/h5H,2-4,7H2,1H3,(H,8,9)/t5-/m CH$LINK: CAS 13073-35-3 CH$LINK: KEGG C11227 CH$LINK: NIKKAJI J9.260F -CH$LINK: PUBCHEM SID:13406 +CH$LINK: PUBCHEM CID:25674 CH$LINK: INCHIKEY GGLZPLKKBSSKCX-YFKPBYRVSA-N CH$LINK: COMPTOX DTXSID5020578 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO002889.txt b/Keio_Univ/MSBNK-Keio_Univ-KO002889.txt index 479bfebe5d8..39e241ce613 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO002889.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO002889.txt @@ -15,7 +15,7 @@ CH$IUPAC: InChI=1S/C10H9N5O/c1-2-7(16-3-1)4-11-9-8-10(13-5-12-8)15-6-14-9/h1-3,5 CH$LINK: CAS 525-79-1 CH$LINK: KEGG C08272 CH$LINK: NIKKAJI J6.656G -CH$LINK: PUBCHEM SID:10471 +CH$LINK: PUBCHEM CID:3830 CH$LINK: INCHIKEY QANMHLXAZMSUEX-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID9035175 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO002890.txt b/Keio_Univ/MSBNK-Keio_Univ-KO002890.txt index c1a4c65364b..18e06267c20 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO002890.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO002890.txt @@ -15,7 +15,7 @@ CH$IUPAC: InChI=1S/C10H9N5O/c1-2-7(16-3-1)4-11-9-8-10(13-5-12-8)15-6-14-9/h1-3,5 CH$LINK: CAS 525-79-1 CH$LINK: KEGG C08272 CH$LINK: NIKKAJI J6.656G -CH$LINK: PUBCHEM SID:10471 +CH$LINK: PUBCHEM CID:3830 CH$LINK: INCHIKEY QANMHLXAZMSUEX-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID9035175 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO002891.txt b/Keio_Univ/MSBNK-Keio_Univ-KO002891.txt index c8962111eb0..c55f8b2913f 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO002891.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO002891.txt @@ -15,7 +15,7 @@ CH$IUPAC: InChI=1S/C10H9N5O/c1-2-7(16-3-1)4-11-9-8-10(13-5-12-8)15-6-14-9/h1-3,5 CH$LINK: CAS 525-79-1 CH$LINK: KEGG C08272 CH$LINK: NIKKAJI J6.656G -CH$LINK: PUBCHEM SID:10471 +CH$LINK: PUBCHEM CID:3830 CH$LINK: INCHIKEY QANMHLXAZMSUEX-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID9035175 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO002892.txt b/Keio_Univ/MSBNK-Keio_Univ-KO002892.txt index e39e9b6c69e..de83374d655 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO002892.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO002892.txt @@ -15,7 +15,7 @@ CH$IUPAC: InChI=1S/C10H9N5O/c1-2-7(16-3-1)4-11-9-8-10(13-5-12-8)15-6-14-9/h1-3,5 CH$LINK: CAS 525-79-1 CH$LINK: KEGG C08272 CH$LINK: NIKKAJI J6.656G -CH$LINK: PUBCHEM SID:10471 +CH$LINK: PUBCHEM CID:3830 CH$LINK: INCHIKEY QANMHLXAZMSUEX-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID9035175 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO002893.txt b/Keio_Univ/MSBNK-Keio_Univ-KO002893.txt index cf63b33c2a9..c8140bb1115 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO002893.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO002893.txt @@ -15,7 +15,7 @@ CH$IUPAC: InChI=1S/C10H9N5O/c1-2-7(16-3-1)4-11-9-8-10(13-5-12-8)15-6-14-9/h1-3,5 CH$LINK: CAS 525-79-1 CH$LINK: KEGG C08272 CH$LINK: NIKKAJI J6.656G -CH$LINK: PUBCHEM SID:10471 +CH$LINK: PUBCHEM CID:3830 CH$LINK: INCHIKEY QANMHLXAZMSUEX-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID9035175 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO002894.txt b/Keio_Univ/MSBNK-Keio_Univ-KO002894.txt index 1d7107e864e..c5058cdbddb 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO002894.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO002894.txt @@ -13,7 +13,7 @@ CH$IUPAC: InChI=1S/C12H16F3N/c1-3-16-9(2)7-10-5-4-6-11(8-10)12(13,14)15/h4-6,8-9 CH$LINK: CAS 458-24-2 CH$LINK: KEGG C06996 CH$LINK: NIKKAJI J5.760F -CH$LINK: PUBCHEM SID:9209 +CH$LINK: PUBCHEM CID:3337 CH$LINK: INCHIKEY DBGIVFWFUFKIQN-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID4023044 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO002895.txt b/Keio_Univ/MSBNK-Keio_Univ-KO002895.txt index 3662deeaea6..ff0d33e74bf 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO002895.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO002895.txt @@ -13,7 +13,7 @@ CH$IUPAC: InChI=1S/C12H16F3N/c1-3-16-9(2)7-10-5-4-6-11(8-10)12(13,14)15/h4-6,8-9 CH$LINK: CAS 458-24-2 CH$LINK: KEGG C06996 CH$LINK: NIKKAJI J5.760F -CH$LINK: PUBCHEM SID:9209 +CH$LINK: PUBCHEM CID:3337 CH$LINK: INCHIKEY DBGIVFWFUFKIQN-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID4023044 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO002896.txt b/Keio_Univ/MSBNK-Keio_Univ-KO002896.txt index 347f2ba4263..c97fd4d12e6 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO002896.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO002896.txt @@ -13,7 +13,7 @@ CH$IUPAC: InChI=1S/C12H16F3N/c1-3-16-9(2)7-10-5-4-6-11(8-10)12(13,14)15/h4-6,8-9 CH$LINK: CAS 458-24-2 CH$LINK: KEGG C06996 CH$LINK: NIKKAJI J5.760F -CH$LINK: PUBCHEM SID:9209 +CH$LINK: PUBCHEM CID:3337 CH$LINK: INCHIKEY DBGIVFWFUFKIQN-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID4023044 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO002897.txt b/Keio_Univ/MSBNK-Keio_Univ-KO002897.txt index d1247dded15..69b96c7a03f 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO002897.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO002897.txt @@ -13,7 +13,7 @@ CH$IUPAC: InChI=1S/C12H16F3N/c1-3-16-9(2)7-10-5-4-6-11(8-10)12(13,14)15/h4-6,8-9 CH$LINK: CAS 458-24-2 CH$LINK: KEGG C06996 CH$LINK: NIKKAJI J5.760F -CH$LINK: PUBCHEM SID:9209 +CH$LINK: PUBCHEM CID:3337 CH$LINK: INCHIKEY DBGIVFWFUFKIQN-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID4023044 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO002898.txt b/Keio_Univ/MSBNK-Keio_Univ-KO002898.txt index 83e972054a6..1fc21bbef58 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO002898.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO002898.txt @@ -13,7 +13,7 @@ CH$IUPAC: InChI=1S/C12H16F3N/c1-3-16-9(2)7-10-5-4-6-11(8-10)12(13,14)15/h4-6,8-9 CH$LINK: CAS 458-24-2 CH$LINK: KEGG C06996 CH$LINK: NIKKAJI J5.760F -CH$LINK: PUBCHEM SID:9209 +CH$LINK: PUBCHEM CID:3337 CH$LINK: INCHIKEY DBGIVFWFUFKIQN-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID4023044 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO002899.txt b/Keio_Univ/MSBNK-Keio_Univ-KO002899.txt index f225fc2c404..67fc832b201 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO002899.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO002899.txt @@ -15,7 +15,7 @@ CH$SMILES: N=CN[C@@H](CC(O)=O)C(O)=O CH$IUPAC: InChI=1S/C5H8N2O4/c6-2-7-3(5(10)11)1-4(8)9/h2-3H,1H2,(H2,6,7)(H,8,9)(H,10,11)/t3-/m0/s1 CH$LINK: CHEBI CHEBI:18387 CH$LINK: KEGG C03409 -CH$LINK: PUBCHEM SID:6238 +CH$LINK: PUBCHEM CID:440000 CH$LINK: INCHIKEY XTPIFIMCFHNJOH-VKHMYHEASA-N AC$INSTRUMENT: API3000, Applied Biosystems AC$INSTRUMENT_TYPE: LC-ESI-QQ diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO002900.txt b/Keio_Univ/MSBNK-Keio_Univ-KO002900.txt index 8d7cc80018d..729d6e4783b 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO002900.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO002900.txt @@ -15,7 +15,7 @@ CH$SMILES: N=CN[C@@H](CC(O)=O)C(O)=O CH$IUPAC: InChI=1S/C5H8N2O4/c6-2-7-3(5(10)11)1-4(8)9/h2-3H,1H2,(H2,6,7)(H,8,9)(H,10,11)/t3-/m0/s1 CH$LINK: CHEBI CHEBI:18387 CH$LINK: KEGG C03409 -CH$LINK: PUBCHEM SID:6238 +CH$LINK: PUBCHEM CID:440000 CH$LINK: INCHIKEY XTPIFIMCFHNJOH-VKHMYHEASA-N AC$INSTRUMENT: API3000, Applied Biosystems AC$INSTRUMENT_TYPE: LC-ESI-QQ diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO002901.txt b/Keio_Univ/MSBNK-Keio_Univ-KO002901.txt index ec611db1791..0cd2f4c40f3 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO002901.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO002901.txt @@ -15,7 +15,7 @@ CH$SMILES: N=CN[C@@H](CC(O)=O)C(O)=O CH$IUPAC: InChI=1S/C5H8N2O4/c6-2-7-3(5(10)11)1-4(8)9/h2-3H,1H2,(H2,6,7)(H,8,9)(H,10,11)/t3-/m0/s1 CH$LINK: CHEBI CHEBI:18387 CH$LINK: KEGG C03409 -CH$LINK: PUBCHEM SID:6238 +CH$LINK: PUBCHEM CID:440000 CH$LINK: INCHIKEY XTPIFIMCFHNJOH-VKHMYHEASA-N AC$INSTRUMENT: API3000, Applied Biosystems AC$INSTRUMENT_TYPE: LC-ESI-QQ diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO002902.txt b/Keio_Univ/MSBNK-Keio_Univ-KO002902.txt index f2760a20cb4..085aa4698ef 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO002902.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO002902.txt @@ -15,7 +15,7 @@ CH$SMILES: N=CN[C@@H](CC(O)=O)C(O)=O CH$IUPAC: InChI=1S/C5H8N2O4/c6-2-7-3(5(10)11)1-4(8)9/h2-3H,1H2,(H2,6,7)(H,8,9)(H,10,11)/t3-/m0/s1 CH$LINK: CHEBI CHEBI:18387 CH$LINK: KEGG C03409 -CH$LINK: PUBCHEM SID:6238 +CH$LINK: PUBCHEM CID:440000 CH$LINK: INCHIKEY XTPIFIMCFHNJOH-VKHMYHEASA-N AC$INSTRUMENT: API3000, Applied Biosystems AC$INSTRUMENT_TYPE: LC-ESI-QQ diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO002903.txt b/Keio_Univ/MSBNK-Keio_Univ-KO002903.txt index 62456a55d28..fa132887a5e 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO002903.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO002903.txt @@ -15,7 +15,7 @@ CH$SMILES: N=CN[C@@H](CC(O)=O)C(O)=O CH$IUPAC: InChI=1S/C5H8N2O4/c6-2-7-3(5(10)11)1-4(8)9/h2-3H,1H2,(H2,6,7)(H,8,9)(H,10,11)/t3-/m0/s1 CH$LINK: CHEBI CHEBI:18387 CH$LINK: KEGG C03409 -CH$LINK: PUBCHEM SID:6238 +CH$LINK: PUBCHEM CID:440000 CH$LINK: INCHIKEY XTPIFIMCFHNJOH-VKHMYHEASA-N AC$INSTRUMENT: API3000, Applied Biosystems AC$INSTRUMENT_TYPE: LC-ESI-QQ diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO002909.txt b/Keio_Univ/MSBNK-Keio_Univ-KO002909.txt index 2a4a025ff5a..855d47424d8 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO002909.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO002909.txt @@ -13,7 +13,7 @@ CH$IUPAC: InChI=1S/C6H6FN/c7-5-1-3-6(8)4-2-5/h1-4H,8H2 CH$LINK: CAS 371-40-4 CH$LINK: KEGG C11014 CH$LINK: NIKKAJI J33.843E -CH$LINK: PUBCHEM SID:13197 +CH$LINK: PUBCHEM CID:9731 CH$LINK: INCHIKEY KRZCOLNOCZKSDF-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID9022027 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO002910.txt b/Keio_Univ/MSBNK-Keio_Univ-KO002910.txt index 2fc3e740082..9c97f33f289 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO002910.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO002910.txt @@ -13,7 +13,7 @@ CH$IUPAC: InChI=1S/C6H6FN/c7-5-1-3-6(8)4-2-5/h1-4H,8H2 CH$LINK: CAS 371-40-4 CH$LINK: KEGG C11014 CH$LINK: NIKKAJI J33.843E -CH$LINK: PUBCHEM SID:13197 +CH$LINK: PUBCHEM CID:9731 CH$LINK: INCHIKEY KRZCOLNOCZKSDF-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID9022027 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO002911.txt b/Keio_Univ/MSBNK-Keio_Univ-KO002911.txt index cd2cfc0a649..31f1f38f3fc 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO002911.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO002911.txt @@ -13,7 +13,7 @@ CH$IUPAC: InChI=1S/C6H6FN/c7-5-1-3-6(8)4-2-5/h1-4H,8H2 CH$LINK: CAS 371-40-4 CH$LINK: KEGG C11014 CH$LINK: NIKKAJI J33.843E -CH$LINK: PUBCHEM SID:13197 +CH$LINK: PUBCHEM CID:9731 CH$LINK: INCHIKEY KRZCOLNOCZKSDF-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID9022027 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO002912.txt b/Keio_Univ/MSBNK-Keio_Univ-KO002912.txt index 6e9fc28e614..9ac81961526 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO002912.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO002912.txt @@ -13,7 +13,7 @@ CH$IUPAC: InChI=1S/C6H6FN/c7-5-1-3-6(8)4-2-5/h1-4H,8H2 CH$LINK: CAS 371-40-4 CH$LINK: KEGG C11014 CH$LINK: NIKKAJI J33.843E -CH$LINK: PUBCHEM SID:13197 +CH$LINK: PUBCHEM CID:9731 CH$LINK: INCHIKEY KRZCOLNOCZKSDF-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID9022027 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO002913.txt b/Keio_Univ/MSBNK-Keio_Univ-KO002913.txt index 92cbfbd4b4e..3ede59a7a69 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO002913.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO002913.txt @@ -13,7 +13,7 @@ CH$IUPAC: InChI=1S/C6H6FN/c7-5-1-3-6(8)4-2-5/h1-4H,8H2 CH$LINK: CAS 371-40-4 CH$LINK: KEGG C11014 CH$LINK: NIKKAJI J33.843E -CH$LINK: PUBCHEM SID:13197 +CH$LINK: PUBCHEM CID:9731 CH$LINK: INCHIKEY KRZCOLNOCZKSDF-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID9022027 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO002914.txt b/Keio_Univ/MSBNK-Keio_Univ-KO002914.txt index 591d91f6647..ae31d9fffb6 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO002914.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO002914.txt @@ -16,7 +16,7 @@ CH$LINK: CAS 56-73-5 CH$LINK: CHEBI CHEBI:15954 CH$LINK: KEGG C00092 CH$LINK: NIKKAJI J40.066A J166.116G -CH$LINK: PUBCHEM SID:3392 +CH$LINK: PUBCHEM CID:5958 CH$LINK: INCHIKEY NBSCHQHZLSJFNQ-GASJEMHNSA-N AC$INSTRUMENT: API3000, Applied Biosystems AC$INSTRUMENT_TYPE: LC-ESI-QQ diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO002915.txt b/Keio_Univ/MSBNK-Keio_Univ-KO002915.txt index 8afa3a8f576..48b2ae090c5 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO002915.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO002915.txt @@ -16,7 +16,7 @@ CH$LINK: CAS 56-73-5 CH$LINK: CHEBI CHEBI:15954 CH$LINK: KEGG C00092 CH$LINK: NIKKAJI J40.066A J166.116G -CH$LINK: PUBCHEM SID:3392 +CH$LINK: PUBCHEM CID:5958 CH$LINK: INCHIKEY NBSCHQHZLSJFNQ-GASJEMHNSA-N AC$INSTRUMENT: API3000, Applied Biosystems AC$INSTRUMENT_TYPE: LC-ESI-QQ diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO002916.txt b/Keio_Univ/MSBNK-Keio_Univ-KO002916.txt index cad7e17db92..98ec32d4bb3 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO002916.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO002916.txt @@ -16,7 +16,7 @@ CH$LINK: CAS 56-73-5 CH$LINK: CHEBI CHEBI:15954 CH$LINK: KEGG C00092 CH$LINK: NIKKAJI J40.066A J166.116G -CH$LINK: PUBCHEM SID:3392 +CH$LINK: PUBCHEM CID:5958 CH$LINK: INCHIKEY NBSCHQHZLSJFNQ-GASJEMHNSA-N AC$INSTRUMENT: API3000, Applied Biosystems AC$INSTRUMENT_TYPE: LC-ESI-QQ diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO002917.txt b/Keio_Univ/MSBNK-Keio_Univ-KO002917.txt index 5a7f7ac897a..add4ad2c98b 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO002917.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO002917.txt @@ -16,7 +16,7 @@ CH$LINK: CAS 56-73-5 CH$LINK: CHEBI CHEBI:15954 CH$LINK: KEGG C00092 CH$LINK: NIKKAJI J40.066A J166.116G -CH$LINK: PUBCHEM SID:3392 +CH$LINK: PUBCHEM CID:5958 CH$LINK: INCHIKEY NBSCHQHZLSJFNQ-GASJEMHNSA-N AC$INSTRUMENT: API3000, Applied Biosystems AC$INSTRUMENT_TYPE: LC-ESI-QQ diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO002918.txt b/Keio_Univ/MSBNK-Keio_Univ-KO002918.txt index a0d90a56f9b..3636c2bd9cc 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO002918.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO002918.txt @@ -16,7 +16,7 @@ CH$LINK: CAS 56-73-5 CH$LINK: CHEBI CHEBI:15954 CH$LINK: KEGG C00092 CH$LINK: NIKKAJI J40.066A J166.116G -CH$LINK: PUBCHEM SID:3392 +CH$LINK: PUBCHEM CID:5958 CH$LINK: INCHIKEY NBSCHQHZLSJFNQ-GASJEMHNSA-N AC$INSTRUMENT: API3000, Applied Biosystems AC$INSTRUMENT_TYPE: LC-ESI-QQ diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO002919.txt b/Keio_Univ/MSBNK-Keio_Univ-KO002919.txt index 857112636f2..cf21dacaf0b 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO002919.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO002919.txt @@ -19,7 +19,7 @@ CH$LINK: CHEBI CHEBI:15966 CH$LINK: CHEMPDB DGL CH$LINK: KEGG C00217 CH$LINK: NIKKAJI J9.214B -CH$LINK: PUBCHEM SID:3517 +CH$LINK: PUBCHEM CID:23327 CH$LINK: INCHIKEY WHUUTDBJXJRKMK-GSVOUGTGSA-N CH$LINK: COMPTOX DTXSID1048675 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO002920.txt b/Keio_Univ/MSBNK-Keio_Univ-KO002920.txt index 31725266cd0..c7f7ad41719 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO002920.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO002920.txt @@ -19,7 +19,7 @@ CH$LINK: CHEBI CHEBI:15966 CH$LINK: CHEMPDB DGL CH$LINK: KEGG C00217 CH$LINK: NIKKAJI J9.214B -CH$LINK: PUBCHEM SID:3517 +CH$LINK: PUBCHEM CID:23327 CH$LINK: INCHIKEY WHUUTDBJXJRKMK-GSVOUGTGSA-N CH$LINK: COMPTOX DTXSID1048675 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO002921.txt b/Keio_Univ/MSBNK-Keio_Univ-KO002921.txt index bdf718a611b..953a482f0f0 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO002921.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO002921.txt @@ -19,7 +19,7 @@ CH$LINK: CHEBI CHEBI:15966 CH$LINK: CHEMPDB DGL CH$LINK: KEGG C00217 CH$LINK: NIKKAJI J9.214B -CH$LINK: PUBCHEM SID:3517 +CH$LINK: PUBCHEM CID:23327 CH$LINK: INCHIKEY WHUUTDBJXJRKMK-GSVOUGTGSA-N CH$LINK: COMPTOX DTXSID1048675 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO002922.txt b/Keio_Univ/MSBNK-Keio_Univ-KO002922.txt index d16fb3aedab..5679087278c 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO002922.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO002922.txt @@ -19,7 +19,7 @@ CH$LINK: CHEBI CHEBI:15966 CH$LINK: CHEMPDB DGL CH$LINK: KEGG C00217 CH$LINK: NIKKAJI J9.214B -CH$LINK: PUBCHEM SID:3517 +CH$LINK: PUBCHEM CID:23327 CH$LINK: INCHIKEY WHUUTDBJXJRKMK-GSVOUGTGSA-N CH$LINK: COMPTOX DTXSID1048675 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO002923.txt b/Keio_Univ/MSBNK-Keio_Univ-KO002923.txt index ef5eebf28c2..cb13df64298 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO002923.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO002923.txt @@ -19,7 +19,7 @@ CH$LINK: CHEBI CHEBI:15966 CH$LINK: CHEMPDB DGL CH$LINK: KEGG C00217 CH$LINK: NIKKAJI J9.214B -CH$LINK: PUBCHEM SID:3517 +CH$LINK: PUBCHEM CID:23327 CH$LINK: INCHIKEY WHUUTDBJXJRKMK-GSVOUGTGSA-N CH$LINK: COMPTOX DTXSID1048675 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO002924.txt b/Keio_Univ/MSBNK-Keio_Univ-KO002924.txt index dc852229a68..8e4f354964d 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO002924.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO002924.txt @@ -17,7 +17,7 @@ CH$LINK: CHEBI CHEBI:17061 CH$LINK: CHEMPDB DGN CH$LINK: KEGG C00819 CH$LINK: NIKKAJI J9.211H -CH$LINK: PUBCHEM SID:4077 +CH$LINK: PUBCHEM CID:145815 CH$LINK: INCHIKEY ZDXPYRJPNDTMRX-GSVOUGTGSA-N CH$LINK: COMPTOX DTXSID6046345 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO002925.txt b/Keio_Univ/MSBNK-Keio_Univ-KO002925.txt index 40f4f8ce637..a19873e6f3f 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO002925.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO002925.txt @@ -17,7 +17,7 @@ CH$LINK: CHEBI CHEBI:17061 CH$LINK: CHEMPDB DGN CH$LINK: KEGG C00819 CH$LINK: NIKKAJI J9.211H -CH$LINK: PUBCHEM SID:4077 +CH$LINK: PUBCHEM CID:145815 CH$LINK: INCHIKEY ZDXPYRJPNDTMRX-GSVOUGTGSA-N CH$LINK: COMPTOX DTXSID6046345 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO002926.txt b/Keio_Univ/MSBNK-Keio_Univ-KO002926.txt index 5ef9e2aff8a..bcfe246d3fa 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO002926.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO002926.txt @@ -17,7 +17,7 @@ CH$LINK: CHEBI CHEBI:17061 CH$LINK: CHEMPDB DGN CH$LINK: KEGG C00819 CH$LINK: NIKKAJI J9.211H -CH$LINK: PUBCHEM SID:4077 +CH$LINK: PUBCHEM CID:145815 CH$LINK: INCHIKEY ZDXPYRJPNDTMRX-GSVOUGTGSA-N CH$LINK: COMPTOX DTXSID6046345 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO002927.txt b/Keio_Univ/MSBNK-Keio_Univ-KO002927.txt index 0c89bf52237..5ded686a5e7 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO002927.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO002927.txt @@ -17,7 +17,7 @@ CH$LINK: CHEBI CHEBI:17061 CH$LINK: CHEMPDB DGN CH$LINK: KEGG C00819 CH$LINK: NIKKAJI J9.211H -CH$LINK: PUBCHEM SID:4077 +CH$LINK: PUBCHEM CID:145815 CH$LINK: INCHIKEY ZDXPYRJPNDTMRX-GSVOUGTGSA-N CH$LINK: COMPTOX DTXSID6046345 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO002928.txt b/Keio_Univ/MSBNK-Keio_Univ-KO002928.txt index 8ae9d149045..67300cdd115 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO002928.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO002928.txt @@ -17,7 +17,7 @@ CH$LINK: CHEBI CHEBI:17061 CH$LINK: CHEMPDB DGN CH$LINK: KEGG C00819 CH$LINK: NIKKAJI J9.211H -CH$LINK: PUBCHEM SID:4077 +CH$LINK: PUBCHEM CID:145815 CH$LINK: INCHIKEY ZDXPYRJPNDTMRX-GSVOUGTGSA-N CH$LINK: COMPTOX DTXSID6046345 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO002929.txt b/Keio_Univ/MSBNK-Keio_Univ-KO002929.txt index 43a72748e2c..3d575ff9a6f 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO002929.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO002929.txt @@ -19,7 +19,7 @@ CH$LINK: CHEBI CHEBI:17858 CH$LINK: CHEMPDB GDS CH$LINK: KEGG C00127 CH$LINK: NIKKAJI J415.688I -CH$LINK: PUBCHEM SID:3427 +CH$LINK: PUBCHEM CID:65359 CH$LINK: INCHIKEY YPZRWBKMTBYPTK-BJDJZHNGSA-N CH$LINK: COMPTOX DTXSID5048972 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO002930.txt b/Keio_Univ/MSBNK-Keio_Univ-KO002930.txt index db511b07bbf..240f97efcbf 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO002930.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO002930.txt @@ -19,7 +19,7 @@ CH$LINK: CHEBI CHEBI:17858 CH$LINK: CHEMPDB GDS CH$LINK: KEGG C00127 CH$LINK: NIKKAJI J415.688I -CH$LINK: PUBCHEM SID:3427 +CH$LINK: PUBCHEM CID:65359 CH$LINK: INCHIKEY YPZRWBKMTBYPTK-BJDJZHNGSA-N CH$LINK: COMPTOX DTXSID5048972 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO002931.txt b/Keio_Univ/MSBNK-Keio_Univ-KO002931.txt index 0fa466595de..ba09e55ad54 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO002931.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO002931.txt @@ -19,7 +19,7 @@ CH$LINK: CHEBI CHEBI:17858 CH$LINK: CHEMPDB GDS CH$LINK: KEGG C00127 CH$LINK: NIKKAJI J415.688I -CH$LINK: PUBCHEM SID:3427 +CH$LINK: PUBCHEM CID:65359 CH$LINK: INCHIKEY YPZRWBKMTBYPTK-BJDJZHNGSA-N CH$LINK: COMPTOX DTXSID5048972 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO002932.txt b/Keio_Univ/MSBNK-Keio_Univ-KO002932.txt index 48913e785e0..31b0d30ecb5 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO002932.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO002932.txt @@ -19,7 +19,7 @@ CH$LINK: CHEBI CHEBI:17858 CH$LINK: CHEMPDB GDS CH$LINK: KEGG C00127 CH$LINK: NIKKAJI J415.688I -CH$LINK: PUBCHEM SID:3427 +CH$LINK: PUBCHEM CID:65359 CH$LINK: INCHIKEY YPZRWBKMTBYPTK-BJDJZHNGSA-N CH$LINK: COMPTOX DTXSID5048972 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO002933.txt b/Keio_Univ/MSBNK-Keio_Univ-KO002933.txt index 56ce3bf8b26..edc96e16971 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO002933.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO002933.txt @@ -19,7 +19,7 @@ CH$LINK: CHEBI CHEBI:17858 CH$LINK: CHEMPDB GDS CH$LINK: KEGG C00127 CH$LINK: NIKKAJI J415.688I -CH$LINK: PUBCHEM SID:3427 +CH$LINK: PUBCHEM CID:65359 CH$LINK: INCHIKEY YPZRWBKMTBYPTK-BJDJZHNGSA-N CH$LINK: COMPTOX DTXSID5048972 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO002934.txt b/Keio_Univ/MSBNK-Keio_Univ-KO002934.txt index d3fdc5a5b9c..1a8f3214391 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO002934.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO002934.txt @@ -17,7 +17,7 @@ CH$LINK: CHEBI CHEBI:15428 CH$LINK: CHEMPDB GLY CH$LINK: KEGG C00037 CH$LINK: NIKKAJI J1.163K -CH$LINK: PUBCHEM SID:3339 +CH$LINK: PUBCHEM CID:750 CH$LINK: INCHIKEY DHMQDGOQFOQNFH-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID9020667 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO002935.txt b/Keio_Univ/MSBNK-Keio_Univ-KO002935.txt index 252785db59e..e866a4a9a58 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO002935.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO002935.txt @@ -17,7 +17,7 @@ CH$LINK: CHEBI CHEBI:15428 CH$LINK: CHEMPDB GLY CH$LINK: KEGG C00037 CH$LINK: NIKKAJI J1.163K -CH$LINK: PUBCHEM SID:3339 +CH$LINK: PUBCHEM CID:750 CH$LINK: INCHIKEY DHMQDGOQFOQNFH-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID9020667 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO002936.txt b/Keio_Univ/MSBNK-Keio_Univ-KO002936.txt index 83d533ea69b..49463c4dc10 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO002936.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO002936.txt @@ -17,7 +17,7 @@ CH$LINK: CHEBI CHEBI:15428 CH$LINK: CHEMPDB GLY CH$LINK: KEGG C00037 CH$LINK: NIKKAJI J1.163K -CH$LINK: PUBCHEM SID:3339 +CH$LINK: PUBCHEM CID:750 CH$LINK: INCHIKEY DHMQDGOQFOQNFH-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID9020667 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO002937.txt b/Keio_Univ/MSBNK-Keio_Univ-KO002937.txt index 3f0c38a029c..8dd6366762c 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO002937.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO002937.txt @@ -17,7 +17,7 @@ CH$LINK: CHEBI CHEBI:15428 CH$LINK: CHEMPDB GLY CH$LINK: KEGG C00037 CH$LINK: NIKKAJI J1.163K -CH$LINK: PUBCHEM SID:3339 +CH$LINK: PUBCHEM CID:750 CH$LINK: INCHIKEY DHMQDGOQFOQNFH-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID9020667 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO002938.txt b/Keio_Univ/MSBNK-Keio_Univ-KO002938.txt index c21dfe501ed..93ac57b1e8c 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO002938.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO002938.txt @@ -17,7 +17,7 @@ CH$LINK: CHEBI CHEBI:15428 CH$LINK: CHEMPDB GLY CH$LINK: KEGG C00037 CH$LINK: NIKKAJI J1.163K -CH$LINK: PUBCHEM SID:3339 +CH$LINK: PUBCHEM CID:750 CH$LINK: INCHIKEY DHMQDGOQFOQNFH-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID9020667 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO002944.txt b/Keio_Univ/MSBNK-Keio_Univ-KO002944.txt index 940f7d93cc8..eb52bc6d497 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO002944.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO002944.txt @@ -17,7 +17,7 @@ CH$LINK: CHEBI CHEBI:18050 CH$LINK: CHEMPDB GLN CH$LINK: KEGG C00064 CH$LINK: NIKKAJI J9.170G -CH$LINK: PUBCHEM SID:3364 +CH$LINK: PUBCHEM CID:5961 CH$LINK: INCHIKEY ZDXPYRJPNDTMRX-VKHMYHEASA-N CH$LINK: COMPTOX DTXSID1023100 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO002945.txt b/Keio_Univ/MSBNK-Keio_Univ-KO002945.txt index e0cdcf14ded..ad4dbd3adde 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO002945.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO002945.txt @@ -17,7 +17,7 @@ CH$LINK: CHEBI CHEBI:18050 CH$LINK: CHEMPDB GLN CH$LINK: KEGG C00064 CH$LINK: NIKKAJI J9.170G -CH$LINK: PUBCHEM SID:3364 +CH$LINK: PUBCHEM CID:5961 CH$LINK: INCHIKEY ZDXPYRJPNDTMRX-VKHMYHEASA-N CH$LINK: COMPTOX DTXSID1023100 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO002946.txt b/Keio_Univ/MSBNK-Keio_Univ-KO002946.txt index 443f256da1c..51290d34aa3 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO002946.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO002946.txt @@ -17,7 +17,7 @@ CH$LINK: CHEBI CHEBI:18050 CH$LINK: CHEMPDB GLN CH$LINK: KEGG C00064 CH$LINK: NIKKAJI J9.170G -CH$LINK: PUBCHEM SID:3364 +CH$LINK: PUBCHEM CID:5961 CH$LINK: INCHIKEY ZDXPYRJPNDTMRX-VKHMYHEASA-N CH$LINK: COMPTOX DTXSID1023100 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO002947.txt b/Keio_Univ/MSBNK-Keio_Univ-KO002947.txt index e4a9de49694..498f73feb9e 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO002947.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO002947.txt @@ -17,7 +17,7 @@ CH$LINK: CHEBI CHEBI:18050 CH$LINK: CHEMPDB GLN CH$LINK: KEGG C00064 CH$LINK: NIKKAJI J9.170G -CH$LINK: PUBCHEM SID:3364 +CH$LINK: PUBCHEM CID:5961 CH$LINK: INCHIKEY ZDXPYRJPNDTMRX-VKHMYHEASA-N CH$LINK: COMPTOX DTXSID1023100 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO002948.txt b/Keio_Univ/MSBNK-Keio_Univ-KO002948.txt index 02009d32648..1bd36e4f4d0 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO002948.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO002948.txt @@ -17,7 +17,7 @@ CH$LINK: CHEBI CHEBI:18050 CH$LINK: CHEMPDB GLN CH$LINK: KEGG C00064 CH$LINK: NIKKAJI J9.170G -CH$LINK: PUBCHEM SID:3364 +CH$LINK: PUBCHEM CID:5961 CH$LINK: INCHIKEY ZDXPYRJPNDTMRX-VKHMYHEASA-N CH$LINK: COMPTOX DTXSID1023100 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO002949.txt b/Keio_Univ/MSBNK-Keio_Univ-KO002949.txt index e64bad6dbe4..2a0476d6f15 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO002949.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO002949.txt @@ -18,7 +18,7 @@ CH$LINK: CHEBI CHEBI:16015 CH$LINK: CHEMPDB GLU CH$LINK: KEGG C00025 CH$LINK: NIKKAJI J9.171E -CH$LINK: PUBCHEM SID:3327 +CH$LINK: PUBCHEM CID:33032 CH$LINK: INCHIKEY WHUUTDBJXJRKMK-VKHMYHEASA-N CH$LINK: COMPTOX DTXSID5020659 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO002950.txt b/Keio_Univ/MSBNK-Keio_Univ-KO002950.txt index 9943c1d1619..1abdb86d4b2 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO002950.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO002950.txt @@ -18,7 +18,7 @@ CH$LINK: CHEBI CHEBI:16015 CH$LINK: CHEMPDB GLU CH$LINK: KEGG C00025 CH$LINK: NIKKAJI J9.171E -CH$LINK: PUBCHEM SID:3327 +CH$LINK: PUBCHEM CID:33032 CH$LINK: INCHIKEY WHUUTDBJXJRKMK-VKHMYHEASA-N CH$LINK: COMPTOX DTXSID5020659 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO002951.txt b/Keio_Univ/MSBNK-Keio_Univ-KO002951.txt index 4d0dd1d4bcb..2ac44e94f5f 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO002951.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO002951.txt @@ -18,7 +18,7 @@ CH$LINK: CHEBI CHEBI:16015 CH$LINK: CHEMPDB GLU CH$LINK: KEGG C00025 CH$LINK: NIKKAJI J9.171E -CH$LINK: PUBCHEM SID:3327 +CH$LINK: PUBCHEM CID:33032 CH$LINK: INCHIKEY WHUUTDBJXJRKMK-VKHMYHEASA-N CH$LINK: COMPTOX DTXSID5020659 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO002952.txt b/Keio_Univ/MSBNK-Keio_Univ-KO002952.txt index f7431ec90f3..bd82f4377f5 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO002952.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO002952.txt @@ -18,7 +18,7 @@ CH$LINK: CHEBI CHEBI:16015 CH$LINK: CHEMPDB GLU CH$LINK: KEGG C00025 CH$LINK: NIKKAJI J9.171E -CH$LINK: PUBCHEM SID:3327 +CH$LINK: PUBCHEM CID:33032 CH$LINK: INCHIKEY WHUUTDBJXJRKMK-VKHMYHEASA-N CH$LINK: COMPTOX DTXSID5020659 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO002953.txt b/Keio_Univ/MSBNK-Keio_Univ-KO002953.txt index 113b2983782..ab991359bdb 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO002953.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO002953.txt @@ -18,7 +18,7 @@ CH$LINK: CHEBI CHEBI:16015 CH$LINK: CHEMPDB GLU CH$LINK: KEGG C00025 CH$LINK: NIKKAJI J9.171E -CH$LINK: PUBCHEM SID:3327 +CH$LINK: PUBCHEM CID:33032 CH$LINK: INCHIKEY WHUUTDBJXJRKMK-VKHMYHEASA-N CH$LINK: COMPTOX DTXSID5020659 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO002954.txt b/Keio_Univ/MSBNK-Keio_Univ-KO002954.txt index 18f13a65859..6891ed88fb7 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO002954.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO002954.txt @@ -16,7 +16,7 @@ CH$LINK: CAS 3616-42-0 CH$LINK: CHEBI CHEBI:15873 CH$LINK: KEGG C00352 CH$LINK: NIKKAJI J79.822C -CH$LINK: PUBCHEM SID:3645 +CH$LINK: PUBCHEM CID:440997 CH$LINK: INCHIKEY XHMJOUIAFHJHBW-IVMDWMLBSA-N AC$INSTRUMENT: API3000, Applied Biosystems AC$INSTRUMENT_TYPE: LC-ESI-QQ diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO002955.txt b/Keio_Univ/MSBNK-Keio_Univ-KO002955.txt index 9bdadb6d050..397df08ec1f 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO002955.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO002955.txt @@ -16,7 +16,7 @@ CH$LINK: CAS 3616-42-0 CH$LINK: CHEBI CHEBI:15873 CH$LINK: KEGG C00352 CH$LINK: NIKKAJI J79.822C -CH$LINK: PUBCHEM SID:3645 +CH$LINK: PUBCHEM CID:440997 CH$LINK: INCHIKEY XHMJOUIAFHJHBW-IVMDWMLBSA-N AC$INSTRUMENT: API3000, Applied Biosystems AC$INSTRUMENT_TYPE: LC-ESI-QQ diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO002956.txt b/Keio_Univ/MSBNK-Keio_Univ-KO002956.txt index 17fc2d32e1e..c58650bf2f0 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO002956.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO002956.txt @@ -16,7 +16,7 @@ CH$LINK: CAS 3616-42-0 CH$LINK: CHEBI CHEBI:15873 CH$LINK: KEGG C00352 CH$LINK: NIKKAJI J79.822C -CH$LINK: PUBCHEM SID:3645 +CH$LINK: PUBCHEM CID:440997 CH$LINK: INCHIKEY XHMJOUIAFHJHBW-IVMDWMLBSA-N AC$INSTRUMENT: API3000, Applied Biosystems AC$INSTRUMENT_TYPE: LC-ESI-QQ diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO002957.txt b/Keio_Univ/MSBNK-Keio_Univ-KO002957.txt index 33a1430c93a..e1cd5a77a2e 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO002957.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO002957.txt @@ -16,7 +16,7 @@ CH$LINK: CAS 3616-42-0 CH$LINK: CHEBI CHEBI:15873 CH$LINK: KEGG C00352 CH$LINK: NIKKAJI J79.822C -CH$LINK: PUBCHEM SID:3645 +CH$LINK: PUBCHEM CID:440997 CH$LINK: INCHIKEY XHMJOUIAFHJHBW-IVMDWMLBSA-N AC$INSTRUMENT: API3000, Applied Biosystems AC$INSTRUMENT_TYPE: LC-ESI-QQ diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO002958.txt b/Keio_Univ/MSBNK-Keio_Univ-KO002958.txt index fe2026860c9..bc2dbda9ca5 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO002958.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO002958.txt @@ -16,7 +16,7 @@ CH$LINK: CAS 3616-42-0 CH$LINK: CHEBI CHEBI:15873 CH$LINK: KEGG C00352 CH$LINK: NIKKAJI J79.822C -CH$LINK: PUBCHEM SID:3645 +CH$LINK: PUBCHEM CID:440997 CH$LINK: INCHIKEY XHMJOUIAFHJHBW-IVMDWMLBSA-N AC$INSTRUMENT: API3000, Applied Biosystems AC$INSTRUMENT_TYPE: LC-ESI-QQ diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO002959.txt b/Keio_Univ/MSBNK-Keio_Univ-KO002959.txt index d55f89e2a47..a5a6eb126db 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO002959.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO002959.txt @@ -16,7 +16,7 @@ CH$LINK: CAS 463-00-3 CH$LINK: CHEBI CHEBI:15728 CH$LINK: KEGG C01035 CH$LINK: NIKKAJI J196.182I -CH$LINK: PUBCHEM SID:4278 +CH$LINK: PUBCHEM CID:500 CH$LINK: INCHIKEY TUHVEAJXIMEOSA-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID50196785 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO002960.txt b/Keio_Univ/MSBNK-Keio_Univ-KO002960.txt index 903d58ee018..98b43be9c4a 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO002960.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO002960.txt @@ -16,7 +16,7 @@ CH$LINK: CAS 463-00-3 CH$LINK: CHEBI CHEBI:15728 CH$LINK: KEGG C01035 CH$LINK: NIKKAJI J196.182I -CH$LINK: PUBCHEM SID:4278 +CH$LINK: PUBCHEM CID:500 CH$LINK: INCHIKEY TUHVEAJXIMEOSA-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID50196785 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO002961.txt b/Keio_Univ/MSBNK-Keio_Univ-KO002961.txt index 0cb0cc42fb9..32bdfd99aa8 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO002961.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO002961.txt @@ -16,7 +16,7 @@ CH$LINK: CAS 463-00-3 CH$LINK: CHEBI CHEBI:15728 CH$LINK: KEGG C01035 CH$LINK: NIKKAJI J196.182I -CH$LINK: PUBCHEM SID:4278 +CH$LINK: PUBCHEM CID:500 CH$LINK: INCHIKEY TUHVEAJXIMEOSA-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID50196785 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO002962.txt b/Keio_Univ/MSBNK-Keio_Univ-KO002962.txt index e476b2b3bca..e56aa98da59 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO002962.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO002962.txt @@ -16,7 +16,7 @@ CH$LINK: CAS 463-00-3 CH$LINK: CHEBI CHEBI:15728 CH$LINK: KEGG C01035 CH$LINK: NIKKAJI J196.182I -CH$LINK: PUBCHEM SID:4278 +CH$LINK: PUBCHEM CID:500 CH$LINK: INCHIKEY TUHVEAJXIMEOSA-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID50196785 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO002963.txt b/Keio_Univ/MSBNK-Keio_Univ-KO002963.txt index 6b28b496c44..833e57394cf 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO002963.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO002963.txt @@ -16,7 +16,7 @@ CH$LINK: CAS 463-00-3 CH$LINK: CHEBI CHEBI:15728 CH$LINK: KEGG C01035 CH$LINK: NIKKAJI J196.182I -CH$LINK: PUBCHEM SID:4278 +CH$LINK: PUBCHEM CID:500 CH$LINK: INCHIKEY TUHVEAJXIMEOSA-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID50196785 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO002964.txt b/Keio_Univ/MSBNK-Keio_Univ-KO002964.txt index aab2f024ac0..4d30a148c1c 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO002964.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO002964.txt @@ -15,7 +15,7 @@ CH$LINK: CAS 556-50-3 CH$LINK: CHEBI CHEBI:17201 CH$LINK: KEGG C02037 CH$LINK: NIKKAJI J2.659J -CH$LINK: PUBCHEM SID:5129 +CH$LINK: PUBCHEM CID:11163 CH$LINK: INCHIKEY YMAWOPBAYDPSLA-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID90862194 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO002965.txt b/Keio_Univ/MSBNK-Keio_Univ-KO002965.txt index 57aad4eb6c3..9b120332940 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO002965.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO002965.txt @@ -15,7 +15,7 @@ CH$LINK: CAS 556-50-3 CH$LINK: CHEBI CHEBI:17201 CH$LINK: KEGG C02037 CH$LINK: NIKKAJI J2.659J -CH$LINK: PUBCHEM SID:5129 +CH$LINK: PUBCHEM CID:11163 CH$LINK: INCHIKEY YMAWOPBAYDPSLA-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID90862194 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO002966.txt b/Keio_Univ/MSBNK-Keio_Univ-KO002966.txt index 106dc15d24d..d2be881b23f 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO002966.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO002966.txt @@ -15,7 +15,7 @@ CH$LINK: CAS 556-50-3 CH$LINK: CHEBI CHEBI:17201 CH$LINK: KEGG C02037 CH$LINK: NIKKAJI J2.659J -CH$LINK: PUBCHEM SID:5129 +CH$LINK: PUBCHEM CID:11163 CH$LINK: INCHIKEY YMAWOPBAYDPSLA-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID90862194 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO002967.txt b/Keio_Univ/MSBNK-Keio_Univ-KO002967.txt index 407e7965bcd..cfe218173b1 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO002967.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO002967.txt @@ -15,7 +15,7 @@ CH$LINK: CAS 556-50-3 CH$LINK: CHEBI CHEBI:17201 CH$LINK: KEGG C02037 CH$LINK: NIKKAJI J2.659J -CH$LINK: PUBCHEM SID:5129 +CH$LINK: PUBCHEM CID:11163 CH$LINK: INCHIKEY YMAWOPBAYDPSLA-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID90862194 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO002968.txt b/Keio_Univ/MSBNK-Keio_Univ-KO002968.txt index 75bcf782c4c..95ed9c55048 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO002968.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO002968.txt @@ -15,7 +15,7 @@ CH$LINK: CAS 556-50-3 CH$LINK: CHEBI CHEBI:17201 CH$LINK: KEGG C02037 CH$LINK: NIKKAJI J2.659J -CH$LINK: PUBCHEM SID:5129 +CH$LINK: PUBCHEM CID:11163 CH$LINK: INCHIKEY YMAWOPBAYDPSLA-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID90862194 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO002969.txt b/Keio_Univ/MSBNK-Keio_Univ-KO002969.txt index e3944a84d51..dca47e7cba6 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO002969.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO002969.txt @@ -14,7 +14,7 @@ CH$SMILES: NC(=N)NCCC(O)=O CH$IUPAC: InChI=1S/C4H9N3O2/c5-4(6)7-2-1-3(8)9/h1-2H2,(H,8,9)(H4,5,6,7) CH$LINK: CHEBI CHEBI:15968 CH$LINK: KEGG C03065 -CH$LINK: PUBCHEM SID:5965 +CH$LINK: PUBCHEM CID:67701 CH$LINK: INCHIKEY KMXXSJLYVJEBHI-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID40188795 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO002970.txt b/Keio_Univ/MSBNK-Keio_Univ-KO002970.txt index 4c5dd640256..237ba9456fe 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO002970.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO002970.txt @@ -14,7 +14,7 @@ CH$SMILES: NC(=N)NCCC(O)=O CH$IUPAC: InChI=1S/C4H9N3O2/c5-4(6)7-2-1-3(8)9/h1-2H2,(H,8,9)(H4,5,6,7) CH$LINK: CHEBI CHEBI:15968 CH$LINK: KEGG C03065 -CH$LINK: PUBCHEM SID:5965 +CH$LINK: PUBCHEM CID:67701 CH$LINK: INCHIKEY KMXXSJLYVJEBHI-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID40188795 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO002971.txt b/Keio_Univ/MSBNK-Keio_Univ-KO002971.txt index 9498a80ad81..17dbf242686 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO002971.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO002971.txt @@ -14,7 +14,7 @@ CH$SMILES: NC(=N)NCCC(O)=O CH$IUPAC: InChI=1S/C4H9N3O2/c5-4(6)7-2-1-3(8)9/h1-2H2,(H,8,9)(H4,5,6,7) CH$LINK: CHEBI CHEBI:15968 CH$LINK: KEGG C03065 -CH$LINK: PUBCHEM SID:5965 +CH$LINK: PUBCHEM CID:67701 CH$LINK: INCHIKEY KMXXSJLYVJEBHI-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID40188795 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO002972.txt b/Keio_Univ/MSBNK-Keio_Univ-KO002972.txt index a7a04cf138a..3412291520e 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO002972.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO002972.txt @@ -14,7 +14,7 @@ CH$SMILES: NC(=N)NCCC(O)=O CH$IUPAC: InChI=1S/C4H9N3O2/c5-4(6)7-2-1-3(8)9/h1-2H2,(H,8,9)(H4,5,6,7) CH$LINK: CHEBI CHEBI:15968 CH$LINK: KEGG C03065 -CH$LINK: PUBCHEM SID:5965 +CH$LINK: PUBCHEM CID:67701 CH$LINK: INCHIKEY KMXXSJLYVJEBHI-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID40188795 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO002973.txt b/Keio_Univ/MSBNK-Keio_Univ-KO002973.txt index 73fd84c7713..90161de8bf1 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO002973.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO002973.txt @@ -14,7 +14,7 @@ CH$SMILES: NC(=N)NCCC(O)=O CH$IUPAC: InChI=1S/C4H9N3O2/c5-4(6)7-2-1-3(8)9/h1-2H2,(H,8,9)(H4,5,6,7) CH$LINK: CHEBI CHEBI:15968 CH$LINK: KEGG C03065 -CH$LINK: PUBCHEM SID:5965 +CH$LINK: PUBCHEM CID:67701 CH$LINK: INCHIKEY KMXXSJLYVJEBHI-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID40188795 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO002974.txt b/Keio_Univ/MSBNK-Keio_Univ-KO002974.txt index c78a54b0bc8..4ca42f6b9a1 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO002974.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO002974.txt @@ -13,7 +13,7 @@ CH$IUPAC: InChI=1S/C11H14N2/c1-13(2)8-9-7-12-11-6-4-3-5-10(9)11/h3-7,12H,8H2,1-2 CH$LINK: CAS 87-52-5 CH$LINK: KEGG C08304 CH$LINK: NIKKAJI J10.618F -CH$LINK: PUBCHEM SID:10502 +CH$LINK: PUBCHEM CID:6890 CH$LINK: INCHIKEY OCDGBSUVYYVKQZ-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID3058955 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO002975.txt b/Keio_Univ/MSBNK-Keio_Univ-KO002975.txt index 9225058357b..9e6452a71b5 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO002975.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO002975.txt @@ -13,7 +13,7 @@ CH$IUPAC: InChI=1S/C11H14N2/c1-13(2)8-9-7-12-11-6-4-3-5-10(9)11/h3-7,12H,8H2,1-2 CH$LINK: CAS 87-52-5 CH$LINK: KEGG C08304 CH$LINK: NIKKAJI J10.618F -CH$LINK: PUBCHEM SID:10502 +CH$LINK: PUBCHEM CID:6890 CH$LINK: INCHIKEY OCDGBSUVYYVKQZ-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID3058955 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO002976.txt b/Keio_Univ/MSBNK-Keio_Univ-KO002976.txt index 12f8382bb22..3d902828bf8 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO002976.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO002976.txt @@ -13,7 +13,7 @@ CH$IUPAC: InChI=1S/C11H14N2/c1-13(2)8-9-7-12-11-6-4-3-5-10(9)11/h3-7,12H,8H2,1-2 CH$LINK: CAS 87-52-5 CH$LINK: KEGG C08304 CH$LINK: NIKKAJI J10.618F -CH$LINK: PUBCHEM SID:10502 +CH$LINK: PUBCHEM CID:6890 CH$LINK: INCHIKEY OCDGBSUVYYVKQZ-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID3058955 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO002977.txt b/Keio_Univ/MSBNK-Keio_Univ-KO002977.txt index 8f7b34b69df..59588f91feb 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO002977.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO002977.txt @@ -13,7 +13,7 @@ CH$IUPAC: InChI=1S/C11H14N2/c1-13(2)8-9-7-12-11-6-4-3-5-10(9)11/h3-7,12H,8H2,1-2 CH$LINK: CAS 87-52-5 CH$LINK: KEGG C08304 CH$LINK: NIKKAJI J10.618F -CH$LINK: PUBCHEM SID:10502 +CH$LINK: PUBCHEM CID:6890 CH$LINK: INCHIKEY OCDGBSUVYYVKQZ-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID3058955 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO002978.txt b/Keio_Univ/MSBNK-Keio_Univ-KO002978.txt index 0cfd5510c49..8f04da3919e 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO002978.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO002978.txt @@ -13,7 +13,7 @@ CH$IUPAC: InChI=1S/C11H14N2/c1-13(2)8-9-7-12-11-6-4-3-5-10(9)11/h3-7,12H,8H2,1-2 CH$LINK: CAS 87-52-5 CH$LINK: KEGG C08304 CH$LINK: NIKKAJI J10.618F -CH$LINK: PUBCHEM SID:10502 +CH$LINK: PUBCHEM CID:6890 CH$LINK: INCHIKEY OCDGBSUVYYVKQZ-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID3058955 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO002980.txt b/Keio_Univ/MSBNK-Keio_Univ-KO002980.txt index 3ade866e0fd..203c88f5d85 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO002980.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO002980.txt @@ -13,7 +13,7 @@ CH$IUPAC: InChI=1S/C10H16N2O7/c11-5(1-3-7(13)14)9(17)12-6(10(18)19)2-4-8(15)16/h CH$LINK: CAS 3929-61-1 CH$LINK: KEGG C01425 CH$LINK: NIKKAJI J364.668H -CH$LINK: PUBCHEM SID:4610 +CH$LINK: PUBCHEM CID:439500 CH$LINK: INCHIKEY KOSRFJWDECSPRO-WDSKDSINSA-N AC$INSTRUMENT: API3000, Applied Biosystems AC$INSTRUMENT_TYPE: LC-ESI-QQ diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO002981.txt b/Keio_Univ/MSBNK-Keio_Univ-KO002981.txt index 7f4cdf0b772..fa35e0592d0 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO002981.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO002981.txt @@ -13,7 +13,7 @@ CH$IUPAC: InChI=1S/C10H16N2O7/c11-5(1-3-7(13)14)9(17)12-6(10(18)19)2-4-8(15)16/h CH$LINK: CAS 3929-61-1 CH$LINK: KEGG C01425 CH$LINK: NIKKAJI J364.668H -CH$LINK: PUBCHEM SID:4610 +CH$LINK: PUBCHEM CID:439500 CH$LINK: INCHIKEY KOSRFJWDECSPRO-WDSKDSINSA-N AC$INSTRUMENT: API3000, Applied Biosystems AC$INSTRUMENT_TYPE: LC-ESI-QQ diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO002982.txt b/Keio_Univ/MSBNK-Keio_Univ-KO002982.txt index 831c1c76135..9eefdda2ebb 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO002982.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO002982.txt @@ -13,7 +13,7 @@ CH$IUPAC: InChI=1S/C10H16N2O7/c11-5(1-3-7(13)14)9(17)12-6(10(18)19)2-4-8(15)16/h CH$LINK: CAS 3929-61-1 CH$LINK: KEGG C01425 CH$LINK: NIKKAJI J364.668H -CH$LINK: PUBCHEM SID:4610 +CH$LINK: PUBCHEM CID:439500 CH$LINK: INCHIKEY KOSRFJWDECSPRO-WDSKDSINSA-N AC$INSTRUMENT: API3000, Applied Biosystems AC$INSTRUMENT_TYPE: LC-ESI-QQ diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO002983.txt b/Keio_Univ/MSBNK-Keio_Univ-KO002983.txt index 1eb95fcd503..5986426bd8d 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO002983.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO002983.txt @@ -13,7 +13,7 @@ CH$IUPAC: InChI=1S/C10H16N2O7/c11-5(1-3-7(13)14)9(17)12-6(10(18)19)2-4-8(15)16/h CH$LINK: CAS 3929-61-1 CH$LINK: KEGG C01425 CH$LINK: NIKKAJI J364.668H -CH$LINK: PUBCHEM SID:4610 +CH$LINK: PUBCHEM CID:439500 CH$LINK: INCHIKEY KOSRFJWDECSPRO-WDSKDSINSA-N AC$INSTRUMENT: API3000, Applied Biosystems AC$INSTRUMENT_TYPE: LC-ESI-QQ diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO002985.txt b/Keio_Univ/MSBNK-Keio_Univ-KO002985.txt index 7d67bbafd19..b311de9eb6c 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO002985.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO002985.txt @@ -18,7 +18,7 @@ CH$LINK: CAS 7535-00-4 CH$LINK: CHEBI CHEBI:28328 CH$LINK: KEGG C02262 CH$LINK: NIKKAJI J16.141A -CH$LINK: PUBCHEM SID:5324 +CH$LINK: PUBCHEM CID:24154 CH$LINK: INCHIKEY MSWZFWKMSRAUBD-GASJEMHNSA-N CH$LINK: COMPTOX DTXSID7043871 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO002986.txt b/Keio_Univ/MSBNK-Keio_Univ-KO002986.txt index 029d25a0a7d..eb187054f93 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO002986.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO002986.txt @@ -18,7 +18,7 @@ CH$LINK: CAS 7535-00-4 CH$LINK: CHEBI CHEBI:28328 CH$LINK: KEGG C02262 CH$LINK: NIKKAJI J16.141A -CH$LINK: PUBCHEM SID:5324 +CH$LINK: PUBCHEM CID:24154 CH$LINK: INCHIKEY MSWZFWKMSRAUBD-GASJEMHNSA-N CH$LINK: COMPTOX DTXSID7043871 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO002987.txt b/Keio_Univ/MSBNK-Keio_Univ-KO002987.txt index cd8191e5213..f4d2f4cf436 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO002987.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO002987.txt @@ -18,7 +18,7 @@ CH$LINK: CAS 7535-00-4 CH$LINK: CHEBI CHEBI:28328 CH$LINK: KEGG C02262 CH$LINK: NIKKAJI J16.141A -CH$LINK: PUBCHEM SID:5324 +CH$LINK: PUBCHEM CID:24154 CH$LINK: INCHIKEY MSWZFWKMSRAUBD-GASJEMHNSA-N CH$LINK: COMPTOX DTXSID7043871 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO002988.txt b/Keio_Univ/MSBNK-Keio_Univ-KO002988.txt index 6a68ce8a93f..1145165e70e 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO002988.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO002988.txt @@ -18,7 +18,7 @@ CH$LINK: CAS 7535-00-4 CH$LINK: CHEBI CHEBI:28328 CH$LINK: KEGG C02262 CH$LINK: NIKKAJI J16.141A -CH$LINK: PUBCHEM SID:5324 +CH$LINK: PUBCHEM CID:24154 CH$LINK: INCHIKEY MSWZFWKMSRAUBD-GASJEMHNSA-N CH$LINK: COMPTOX DTXSID7043871 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO002989.txt b/Keio_Univ/MSBNK-Keio_Univ-KO002989.txt index 3e2fdcb7097..6fce08706cb 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO002989.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO002989.txt @@ -16,7 +16,7 @@ CH$LINK: CAS 475-31-0 CH$LINK: CHEBI CHEBI:29746 CH$LINK: KEGG C01921 CH$LINK: NIKKAJI J12.411G -CH$LINK: PUBCHEM SID:5027 +CH$LINK: PUBCHEM CID:10140 CH$LINK: INCHIKEY RFDAIACWWDREDC-FRVQLJSFSA-N CH$LINK: COMPTOX DTXSID2047436 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO002990.txt b/Keio_Univ/MSBNK-Keio_Univ-KO002990.txt index a1de9682f47..5882423a11c 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO002990.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO002990.txt @@ -16,7 +16,7 @@ CH$LINK: CAS 475-31-0 CH$LINK: CHEBI CHEBI:29746 CH$LINK: KEGG C01921 CH$LINK: NIKKAJI J12.411G -CH$LINK: PUBCHEM SID:5027 +CH$LINK: PUBCHEM CID:10140 CH$LINK: INCHIKEY RFDAIACWWDREDC-FRVQLJSFSA-N CH$LINK: COMPTOX DTXSID2047436 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO002991.txt b/Keio_Univ/MSBNK-Keio_Univ-KO002991.txt index 2a4845b769e..5e06d48153e 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO002991.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO002991.txt @@ -16,7 +16,7 @@ CH$LINK: CAS 475-31-0 CH$LINK: CHEBI CHEBI:29746 CH$LINK: KEGG C01921 CH$LINK: NIKKAJI J12.411G -CH$LINK: PUBCHEM SID:5027 +CH$LINK: PUBCHEM CID:10140 CH$LINK: INCHIKEY RFDAIACWWDREDC-FRVQLJSFSA-N CH$LINK: COMPTOX DTXSID2047436 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO002992.txt b/Keio_Univ/MSBNK-Keio_Univ-KO002992.txt index 2339a821dd1..7bcb580d1e3 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO002992.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO002992.txt @@ -16,7 +16,7 @@ CH$LINK: CAS 475-31-0 CH$LINK: CHEBI CHEBI:29746 CH$LINK: KEGG C01921 CH$LINK: NIKKAJI J12.411G -CH$LINK: PUBCHEM SID:5027 +CH$LINK: PUBCHEM CID:10140 CH$LINK: INCHIKEY RFDAIACWWDREDC-FRVQLJSFSA-N CH$LINK: COMPTOX DTXSID2047436 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO002993.txt b/Keio_Univ/MSBNK-Keio_Univ-KO002993.txt index c06bae07119..b49ce940255 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO002993.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO002993.txt @@ -16,7 +16,7 @@ CH$LINK: CAS 475-31-0 CH$LINK: CHEBI CHEBI:29746 CH$LINK: KEGG C01921 CH$LINK: NIKKAJI J12.411G -CH$LINK: PUBCHEM SID:5027 +CH$LINK: PUBCHEM CID:10140 CH$LINK: INCHIKEY RFDAIACWWDREDC-FRVQLJSFSA-N CH$LINK: COMPTOX DTXSID2047436 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO003004.txt b/Keio_Univ/MSBNK-Keio_Univ-KO003004.txt index 0847d222d30..5a3eefa0c29 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO003004.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO003004.txt @@ -18,7 +18,7 @@ CH$LINK: CAS 3646-68-2 CH$LINK: CHEBI CHEBI:17784 CH$LINK: KEGG C03752 CH$LINK: NIKKAJI J205.566J -CH$LINK: PUBCHEM SID:6511 +CH$LINK: PUBCHEM CID:73563 CH$LINK: INCHIKEY UFYKDFXCZBTLOO-TXICZTDVSA-N CH$LINK: COMPTOX DTXSID60878848 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO003005.txt b/Keio_Univ/MSBNK-Keio_Univ-KO003005.txt index 891877c8cee..e06d4f3697a 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO003005.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO003005.txt @@ -18,7 +18,7 @@ CH$LINK: CAS 3646-68-2 CH$LINK: CHEBI CHEBI:17784 CH$LINK: KEGG C03752 CH$LINK: NIKKAJI J205.566J -CH$LINK: PUBCHEM SID:6511 +CH$LINK: PUBCHEM CID:73563 CH$LINK: INCHIKEY UFYKDFXCZBTLOO-TXICZTDVSA-N CH$LINK: COMPTOX DTXSID60878848 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO003006.txt b/Keio_Univ/MSBNK-Keio_Univ-KO003006.txt index d3e6c354957..4302cd42605 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO003006.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO003006.txt @@ -18,7 +18,7 @@ CH$LINK: CAS 3646-68-2 CH$LINK: CHEBI CHEBI:17784 CH$LINK: KEGG C03752 CH$LINK: NIKKAJI J205.566J -CH$LINK: PUBCHEM SID:6511 +CH$LINK: PUBCHEM CID:73563 CH$LINK: INCHIKEY UFYKDFXCZBTLOO-TXICZTDVSA-N CH$LINK: COMPTOX DTXSID60878848 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO003007.txt b/Keio_Univ/MSBNK-Keio_Univ-KO003007.txt index d96241d79a2..a25c21234e7 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO003007.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO003007.txt @@ -18,7 +18,7 @@ CH$LINK: CAS 3646-68-2 CH$LINK: CHEBI CHEBI:17784 CH$LINK: KEGG C03752 CH$LINK: NIKKAJI J205.566J -CH$LINK: PUBCHEM SID:6511 +CH$LINK: PUBCHEM CID:73563 CH$LINK: INCHIKEY UFYKDFXCZBTLOO-TXICZTDVSA-N CH$LINK: COMPTOX DTXSID60878848 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO003008.txt b/Keio_Univ/MSBNK-Keio_Univ-KO003008.txt index 35486750272..b50820dd725 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO003008.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO003008.txt @@ -18,7 +18,7 @@ CH$LINK: CAS 3646-68-2 CH$LINK: CHEBI CHEBI:17784 CH$LINK: KEGG C03752 CH$LINK: NIKKAJI J205.566J -CH$LINK: PUBCHEM SID:6511 +CH$LINK: PUBCHEM CID:73563 CH$LINK: INCHIKEY UFYKDFXCZBTLOO-TXICZTDVSA-N CH$LINK: COMPTOX DTXSID60878848 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO003014.txt b/Keio_Univ/MSBNK-Keio_Univ-KO003014.txt index 28ecfb7ce79..88064095b8e 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO003014.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO003014.txt @@ -12,7 +12,7 @@ CH$EXACT_MASS: 259.04570 CH$SMILES: OCC(O1)C(O)C(O)C(N)C1OP(O)(O)=O CH$IUPAC: InChI=1S/C6H14NO8P/c7-3-5(10)4(9)2(1-8)14-6(3)15-16(11,12)13/h2-6,8-10H,1,7H2,(H2,11,12,13)/t2-,3-,4+,5-,6?/m1/s1 CH$LINK: KEGG C03783 -CH$LINK: PUBCHEM SID:6534 +CH$LINK: PUBCHEM CID:3036672 CH$LINK: INCHIKEY YMJBYRVFGYXULK-GASJEMHNSA-N CH$LINK: COMPTOX DTXSID30949296 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO003015.txt b/Keio_Univ/MSBNK-Keio_Univ-KO003015.txt index 3f68e433fd9..1d62f93dac7 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO003015.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO003015.txt @@ -12,7 +12,7 @@ CH$EXACT_MASS: 259.04570 CH$SMILES: OCC(O1)C(O)C(O)C(N)C1OP(O)(O)=O CH$IUPAC: InChI=1S/C6H14NO8P/c7-3-5(10)4(9)2(1-8)14-6(3)15-16(11,12)13/h2-6,8-10H,1,7H2,(H2,11,12,13)/t2-,3-,4+,5-,6?/m1/s1 CH$LINK: KEGG C03783 -CH$LINK: PUBCHEM SID:6534 +CH$LINK: PUBCHEM CID:3036672 CH$LINK: INCHIKEY YMJBYRVFGYXULK-GASJEMHNSA-N CH$LINK: COMPTOX DTXSID30949296 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO003016.txt b/Keio_Univ/MSBNK-Keio_Univ-KO003016.txt index b6591dfd6ae..fd36a61af58 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO003016.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO003016.txt @@ -12,7 +12,7 @@ CH$EXACT_MASS: 259.04570 CH$SMILES: OCC(O1)C(O)C(O)C(N)C1OP(O)(O)=O CH$IUPAC: InChI=1S/C6H14NO8P/c7-3-5(10)4(9)2(1-8)14-6(3)15-16(11,12)13/h2-6,8-10H,1,7H2,(H2,11,12,13)/t2-,3-,4+,5-,6?/m1/s1 CH$LINK: KEGG C03783 -CH$LINK: PUBCHEM SID:6534 +CH$LINK: PUBCHEM CID:3036672 CH$LINK: INCHIKEY YMJBYRVFGYXULK-GASJEMHNSA-N CH$LINK: COMPTOX DTXSID30949296 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO003017.txt b/Keio_Univ/MSBNK-Keio_Univ-KO003017.txt index 9d5c24f1083..a505a047ac7 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO003017.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO003017.txt @@ -12,7 +12,7 @@ CH$EXACT_MASS: 259.04570 CH$SMILES: OCC(O1)C(O)C(O)C(N)C1OP(O)(O)=O CH$IUPAC: InChI=1S/C6H14NO8P/c7-3-5(10)4(9)2(1-8)14-6(3)15-16(11,12)13/h2-6,8-10H,1,7H2,(H2,11,12,13)/t2-,3-,4+,5-,6?/m1/s1 CH$LINK: KEGG C03783 -CH$LINK: PUBCHEM SID:6534 +CH$LINK: PUBCHEM CID:3036672 CH$LINK: INCHIKEY YMJBYRVFGYXULK-GASJEMHNSA-N CH$LINK: COMPTOX DTXSID30949296 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO003018.txt b/Keio_Univ/MSBNK-Keio_Univ-KO003018.txt index 934c27b4393..99787535c1f 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO003018.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO003018.txt @@ -12,7 +12,7 @@ CH$EXACT_MASS: 259.04570 CH$SMILES: OCC(O1)C(O)C(O)C(N)C1OP(O)(O)=O CH$IUPAC: InChI=1S/C6H14NO8P/c7-3-5(10)4(9)2(1-8)14-6(3)15-16(11,12)13/h2-6,8-10H,1,7H2,(H2,11,12,13)/t2-,3-,4+,5-,6?/m1/s1 CH$LINK: KEGG C03783 -CH$LINK: PUBCHEM SID:6534 +CH$LINK: PUBCHEM CID:3036672 CH$LINK: INCHIKEY YMJBYRVFGYXULK-GASJEMHNSA-N CH$LINK: COMPTOX DTXSID30949296 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO003019.txt b/Keio_Univ/MSBNK-Keio_Univ-KO003019.txt index 1567f67bfc8..cb8ec7aaa7b 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO003019.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO003019.txt @@ -14,7 +14,7 @@ CH$SMILES: OCC(O)COP(O)(=O)OCC[N+1](C)(C)C CH$IUPAC: InChI=1S/C8H20NO6P/c1-9(2,3)4-5-14-16(12,13)15-7-8(11)6-10/h8,10-11H,4-7H2,1-3H3/p+1/t8-/m1/s1 CH$LINK: CHEBI CHEBI:16870 CH$LINK: KEGG C00670 -CH$LINK: PUBCHEM SID:3939 +CH$LINK: PUBCHEM CID:439285 CH$LINK: INCHIKEY SUHOQUVVVLNYQR-MRVPVSSYSA-O AC$INSTRUMENT: API3000, Applied Biosystems AC$INSTRUMENT_TYPE: LC-ESI-QQ diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO003020.txt b/Keio_Univ/MSBNK-Keio_Univ-KO003020.txt index 5ba494e415d..958d066ec61 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO003020.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO003020.txt @@ -14,7 +14,7 @@ CH$SMILES: OCC(O)COP(O)(=O)OCC[N+1](C)(C)C CH$IUPAC: InChI=1S/C8H20NO6P/c1-9(2,3)4-5-14-16(12,13)15-7-8(11)6-10/h8,10-11H,4-7H2,1-3H3/p+1/t8-/m1/s1 CH$LINK: CHEBI CHEBI:16870 CH$LINK: KEGG C00670 -CH$LINK: PUBCHEM SID:3939 +CH$LINK: PUBCHEM CID:439285 CH$LINK: INCHIKEY SUHOQUVVVLNYQR-MRVPVSSYSA-O AC$INSTRUMENT: API3000, Applied Biosystems AC$INSTRUMENT_TYPE: LC-ESI-QQ diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO003021.txt b/Keio_Univ/MSBNK-Keio_Univ-KO003021.txt index 65df60a3bd5..d34e2fff312 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO003021.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO003021.txt @@ -14,7 +14,7 @@ CH$SMILES: OCC(O)COP(O)(=O)OCC[N+1](C)(C)C CH$IUPAC: InChI=1S/C8H20NO6P/c1-9(2,3)4-5-14-16(12,13)15-7-8(11)6-10/h8,10-11H,4-7H2,1-3H3/p+1/t8-/m1/s1 CH$LINK: CHEBI CHEBI:16870 CH$LINK: KEGG C00670 -CH$LINK: PUBCHEM SID:3939 +CH$LINK: PUBCHEM CID:439285 CH$LINK: INCHIKEY SUHOQUVVVLNYQR-MRVPVSSYSA-O AC$INSTRUMENT: API3000, Applied Biosystems AC$INSTRUMENT_TYPE: LC-ESI-QQ diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO003022.txt b/Keio_Univ/MSBNK-Keio_Univ-KO003022.txt index 090abf19877..a187eff4423 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO003022.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO003022.txt @@ -14,7 +14,7 @@ CH$SMILES: OCC(O)COP(O)(=O)OCC[N+1](C)(C)C CH$IUPAC: InChI=1S/C8H20NO6P/c1-9(2,3)4-5-14-16(12,13)15-7-8(11)6-10/h8,10-11H,4-7H2,1-3H3/p+1/t8-/m1/s1 CH$LINK: CHEBI CHEBI:16870 CH$LINK: KEGG C00670 -CH$LINK: PUBCHEM SID:3939 +CH$LINK: PUBCHEM CID:439285 CH$LINK: INCHIKEY SUHOQUVVVLNYQR-MRVPVSSYSA-O AC$INSTRUMENT: API3000, Applied Biosystems AC$INSTRUMENT_TYPE: LC-ESI-QQ diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO003023.txt b/Keio_Univ/MSBNK-Keio_Univ-KO003023.txt index a793f713c13..9e222927dd9 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO003023.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO003023.txt @@ -14,7 +14,7 @@ CH$SMILES: OCC(O)COP(O)(=O)OCC[N+1](C)(C)C CH$IUPAC: InChI=1S/C8H20NO6P/c1-9(2,3)4-5-14-16(12,13)15-7-8(11)6-10/h8,10-11H,4-7H2,1-3H3/p+1/t8-/m1/s1 CH$LINK: CHEBI CHEBI:16870 CH$LINK: KEGG C00670 -CH$LINK: PUBCHEM SID:3939 +CH$LINK: PUBCHEM CID:439285 CH$LINK: INCHIKEY SUHOQUVVVLNYQR-MRVPVSSYSA-O AC$INSTRUMENT: API3000, Applied Biosystems AC$INSTRUMENT_TYPE: LC-ESI-QQ diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO003024.txt b/Keio_Univ/MSBNK-Keio_Univ-KO003024.txt index bc74d88a090..8afe1f4720a 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO003024.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO003024.txt @@ -15,7 +15,7 @@ CH$IUPAC: InChI=1S/C8H16N2O3/c1-5(2)3-6(8(12)13)10-7(11)4-9/h5-6H,3-4,9H2,1-2H3, CH$LINK: CAS 869-19-2 CH$LINK: KEGG C02155 CH$LINK: NIKKAJI J150.139I -CH$LINK: PUBCHEM SID:5232 +CH$LINK: PUBCHEM CID:92843 CH$LINK: INCHIKEY DKEXFJVMVGETOO-LURJTMIESA-N AC$INSTRUMENT: API3000, Applied Biosystems AC$INSTRUMENT_TYPE: LC-ESI-QQ diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO003025.txt b/Keio_Univ/MSBNK-Keio_Univ-KO003025.txt index ddbae54ab52..748c8d2fb9d 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO003025.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO003025.txt @@ -15,7 +15,7 @@ CH$IUPAC: InChI=1S/C8H16N2O3/c1-5(2)3-6(8(12)13)10-7(11)4-9/h5-6H,3-4,9H2,1-2H3, CH$LINK: CAS 869-19-2 CH$LINK: KEGG C02155 CH$LINK: NIKKAJI J150.139I -CH$LINK: PUBCHEM SID:5232 +CH$LINK: PUBCHEM CID:92843 CH$LINK: INCHIKEY DKEXFJVMVGETOO-LURJTMIESA-N AC$INSTRUMENT: API3000, Applied Biosystems AC$INSTRUMENT_TYPE: LC-ESI-QQ diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO003026.txt b/Keio_Univ/MSBNK-Keio_Univ-KO003026.txt index be6ded60b01..f899d89d129 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO003026.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO003026.txt @@ -15,7 +15,7 @@ CH$IUPAC: InChI=1S/C8H16N2O3/c1-5(2)3-6(8(12)13)10-7(11)4-9/h5-6H,3-4,9H2,1-2H3, CH$LINK: CAS 869-19-2 CH$LINK: KEGG C02155 CH$LINK: NIKKAJI J150.139I -CH$LINK: PUBCHEM SID:5232 +CH$LINK: PUBCHEM CID:92843 CH$LINK: INCHIKEY DKEXFJVMVGETOO-LURJTMIESA-N AC$INSTRUMENT: API3000, Applied Biosystems AC$INSTRUMENT_TYPE: LC-ESI-QQ diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO003027.txt b/Keio_Univ/MSBNK-Keio_Univ-KO003027.txt index 823c80111ec..476d2264eda 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO003027.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO003027.txt @@ -15,7 +15,7 @@ CH$IUPAC: InChI=1S/C8H16N2O3/c1-5(2)3-6(8(12)13)10-7(11)4-9/h5-6H,3-4,9H2,1-2H3, CH$LINK: CAS 869-19-2 CH$LINK: KEGG C02155 CH$LINK: NIKKAJI J150.139I -CH$LINK: PUBCHEM SID:5232 +CH$LINK: PUBCHEM CID:92843 CH$LINK: INCHIKEY DKEXFJVMVGETOO-LURJTMIESA-N AC$INSTRUMENT: API3000, Applied Biosystems AC$INSTRUMENT_TYPE: LC-ESI-QQ diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO003028.txt b/Keio_Univ/MSBNK-Keio_Univ-KO003028.txt index d6031773b60..aadf6ab6b87 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO003028.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO003028.txt @@ -15,7 +15,7 @@ CH$IUPAC: InChI=1S/C8H16N2O3/c1-5(2)3-6(8(12)13)10-7(11)4-9/h5-6H,3-4,9H2,1-2H3, CH$LINK: CAS 869-19-2 CH$LINK: KEGG C02155 CH$LINK: NIKKAJI J150.139I -CH$LINK: PUBCHEM SID:5232 +CH$LINK: PUBCHEM CID:92843 CH$LINK: INCHIKEY DKEXFJVMVGETOO-LURJTMIESA-N AC$INSTRUMENT: API3000, Applied Biosystems AC$INSTRUMENT_TYPE: LC-ESI-QQ diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO003029.txt b/Keio_Univ/MSBNK-Keio_Univ-KO003029.txt index 966a30df24d..c2129ec2f87 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO003029.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO003029.txt @@ -19,7 +19,7 @@ CH$LINK: CAS 57-03-4 CH$LINK: CHEBI CHEBI:15978 CH$LINK: KEGG C00093 CH$LINK: NIKKAJI J4.450D -CH$LINK: PUBCHEM SID:3393 +CH$LINK: PUBCHEM CID:439162 CH$LINK: INCHIKEY AWUCVROLDVIAJX-GSVOUGTGSA-N CH$LINK: COMPTOX DTXSID5048346 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO003030.txt b/Keio_Univ/MSBNK-Keio_Univ-KO003030.txt index 413fec58b27..136ad1a6569 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO003030.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO003030.txt @@ -19,7 +19,7 @@ CH$LINK: CAS 57-03-4 CH$LINK: CHEBI CHEBI:15978 CH$LINK: KEGG C00093 CH$LINK: NIKKAJI J4.450D -CH$LINK: PUBCHEM SID:3393 +CH$LINK: PUBCHEM CID:439162 CH$LINK: INCHIKEY AWUCVROLDVIAJX-GSVOUGTGSA-N CH$LINK: COMPTOX DTXSID5048346 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO003031.txt b/Keio_Univ/MSBNK-Keio_Univ-KO003031.txt index 3a8f202c21d..afbc238ee83 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO003031.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO003031.txt @@ -19,7 +19,7 @@ CH$LINK: CAS 57-03-4 CH$LINK: CHEBI CHEBI:15978 CH$LINK: KEGG C00093 CH$LINK: NIKKAJI J4.450D -CH$LINK: PUBCHEM SID:3393 +CH$LINK: PUBCHEM CID:439162 CH$LINK: INCHIKEY AWUCVROLDVIAJX-GSVOUGTGSA-N CH$LINK: COMPTOX DTXSID5048346 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO003032.txt b/Keio_Univ/MSBNK-Keio_Univ-KO003032.txt index a2e051405e4..1b345929397 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO003032.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO003032.txt @@ -19,7 +19,7 @@ CH$LINK: CAS 57-03-4 CH$LINK: CHEBI CHEBI:15978 CH$LINK: KEGG C00093 CH$LINK: NIKKAJI J4.450D -CH$LINK: PUBCHEM SID:3393 +CH$LINK: PUBCHEM CID:439162 CH$LINK: INCHIKEY AWUCVROLDVIAJX-GSVOUGTGSA-N CH$LINK: COMPTOX DTXSID5048346 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO003033.txt b/Keio_Univ/MSBNK-Keio_Univ-KO003033.txt index 72896697019..b859b23040e 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO003033.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO003033.txt @@ -19,7 +19,7 @@ CH$LINK: CAS 57-03-4 CH$LINK: CHEBI CHEBI:15978 CH$LINK: KEGG C00093 CH$LINK: NIKKAJI J4.450D -CH$LINK: PUBCHEM SID:3393 +CH$LINK: PUBCHEM CID:439162 CH$LINK: INCHIKEY AWUCVROLDVIAJX-GSVOUGTGSA-N CH$LINK: COMPTOX DTXSID5048346 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO003034.txt b/Keio_Univ/MSBNK-Keio_Univ-KO003034.txt index da75a99c305..4d4b329d373 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO003034.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO003034.txt @@ -15,7 +15,7 @@ CH$IUPAC: InChI=1S/C30H46O4/c1-25(2)21-8-11-30(7)23(28(21,5)10-9-22(25)32)20(31) CH$LINK: CAS 1449-05-4 471-53-4 CH$LINK: CHEBI CHEBI:30853 CH$LINK: KEGG C02283 -CH$LINK: PUBCHEM SID:5340 +CH$LINK: PUBCHEM CID:10114 CH$LINK: INCHIKEY MPDGHEJMBKOTSU-YKLVYJNSSA-N CH$LINK: COMPTOX DTXSID9020669 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO003035.txt b/Keio_Univ/MSBNK-Keio_Univ-KO003035.txt index ebc90b84d50..aa71cde27ea 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO003035.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO003035.txt @@ -15,7 +15,7 @@ CH$IUPAC: InChI=1S/C30H46O4/c1-25(2)21-8-11-30(7)23(28(21,5)10-9-22(25)32)20(31) CH$LINK: CAS 1449-05-4 471-53-4 CH$LINK: CHEBI CHEBI:30853 CH$LINK: KEGG C02283 -CH$LINK: PUBCHEM SID:5340 +CH$LINK: PUBCHEM CID:10114 CH$LINK: INCHIKEY MPDGHEJMBKOTSU-YKLVYJNSSA-N CH$LINK: COMPTOX DTXSID9020669 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO003036.txt b/Keio_Univ/MSBNK-Keio_Univ-KO003036.txt index a5328445b3f..f39dee20518 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO003036.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO003036.txt @@ -15,7 +15,7 @@ CH$IUPAC: InChI=1S/C30H46O4/c1-25(2)21-8-11-30(7)23(28(21,5)10-9-22(25)32)20(31) CH$LINK: CAS 1449-05-4 471-53-4 CH$LINK: CHEBI CHEBI:30853 CH$LINK: KEGG C02283 -CH$LINK: PUBCHEM SID:5340 +CH$LINK: PUBCHEM CID:10114 CH$LINK: INCHIKEY MPDGHEJMBKOTSU-YKLVYJNSSA-N CH$LINK: COMPTOX DTXSID9020669 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO003037.txt b/Keio_Univ/MSBNK-Keio_Univ-KO003037.txt index 362e4f1a86f..edcf7d95da2 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO003037.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO003037.txt @@ -15,7 +15,7 @@ CH$IUPAC: InChI=1S/C30H46O4/c1-25(2)21-8-11-30(7)23(28(21,5)10-9-22(25)32)20(31) CH$LINK: CAS 1449-05-4 471-53-4 CH$LINK: CHEBI CHEBI:30853 CH$LINK: KEGG C02283 -CH$LINK: PUBCHEM SID:5340 +CH$LINK: PUBCHEM CID:10114 CH$LINK: INCHIKEY MPDGHEJMBKOTSU-YKLVYJNSSA-N CH$LINK: COMPTOX DTXSID9020669 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO003038.txt b/Keio_Univ/MSBNK-Keio_Univ-KO003038.txt index 0abd3091fba..b37cb02fdbb 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO003038.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO003038.txt @@ -15,7 +15,7 @@ CH$IUPAC: InChI=1S/C30H46O4/c1-25(2)21-8-11-30(7)23(28(21,5)10-9-22(25)32)20(31) CH$LINK: CAS 1449-05-4 471-53-4 CH$LINK: CHEBI CHEBI:30853 CH$LINK: KEGG C02283 -CH$LINK: PUBCHEM SID:5340 +CH$LINK: PUBCHEM CID:10114 CH$LINK: INCHIKEY MPDGHEJMBKOTSU-YKLVYJNSSA-N CH$LINK: COMPTOX DTXSID9020669 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO003044.txt b/Keio_Univ/MSBNK-Keio_Univ-KO003044.txt index 9d3a12cdefd..b3a741ac00d 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO003044.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO003044.txt @@ -14,7 +14,7 @@ CH$IUPAC: InChI=1S/C8H9N5/c9-7(10)13-8-11-5-3-1-2-4-6(5)12-8/h1-4H,(H5,9,10,11,1 CH$LINK: CAS 5418-95-1 CH$LINK: KEGG C10898 CH$LINK: NIKKAJI J217.997K -CH$LINK: PUBCHEM SID:13081 +CH$LINK: PUBCHEM CID:36149 CH$LINK: INCHIKEY JJWCTKUQWXYIIU-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID6063858 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO003045.txt b/Keio_Univ/MSBNK-Keio_Univ-KO003045.txt index 805e99e0f7d..e3d681d8e9a 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO003045.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO003045.txt @@ -14,7 +14,7 @@ CH$IUPAC: InChI=1S/C8H9N5/c9-7(10)13-8-11-5-3-1-2-4-6(5)12-8/h1-4H,(H5,9,10,11,1 CH$LINK: CAS 5418-95-1 CH$LINK: KEGG C10898 CH$LINK: NIKKAJI J217.997K -CH$LINK: PUBCHEM SID:13081 +CH$LINK: PUBCHEM CID:36149 CH$LINK: INCHIKEY JJWCTKUQWXYIIU-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID6063858 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO003046.txt b/Keio_Univ/MSBNK-Keio_Univ-KO003046.txt index 86136034436..b48553531c5 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO003046.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO003046.txt @@ -14,7 +14,7 @@ CH$IUPAC: InChI=1S/C8H9N5/c9-7(10)13-8-11-5-3-1-2-4-6(5)12-8/h1-4H,(H5,9,10,11,1 CH$LINK: CAS 5418-95-1 CH$LINK: KEGG C10898 CH$LINK: NIKKAJI J217.997K -CH$LINK: PUBCHEM SID:13081 +CH$LINK: PUBCHEM CID:36149 CH$LINK: INCHIKEY JJWCTKUQWXYIIU-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID6063858 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO003047.txt b/Keio_Univ/MSBNK-Keio_Univ-KO003047.txt index 4b16e1d4918..1df8f3dd7d4 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO003047.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO003047.txt @@ -14,7 +14,7 @@ CH$IUPAC: InChI=1S/C8H9N5/c9-7(10)13-8-11-5-3-1-2-4-6(5)12-8/h1-4H,(H5,9,10,11,1 CH$LINK: CAS 5418-95-1 CH$LINK: KEGG C10898 CH$LINK: NIKKAJI J217.997K -CH$LINK: PUBCHEM SID:13081 +CH$LINK: PUBCHEM CID:36149 CH$LINK: INCHIKEY JJWCTKUQWXYIIU-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID6063858 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO003048.txt b/Keio_Univ/MSBNK-Keio_Univ-KO003048.txt index ccee1077f83..380989ca59b 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO003048.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO003048.txt @@ -14,7 +14,7 @@ CH$IUPAC: InChI=1S/C8H9N5/c9-7(10)13-8-11-5-3-1-2-4-6(5)12-8/h1-4H,(H5,9,10,11,1 CH$LINK: CAS 5418-95-1 CH$LINK: KEGG C10898 CH$LINK: NIKKAJI J217.997K -CH$LINK: PUBCHEM SID:13081 +CH$LINK: PUBCHEM CID:36149 CH$LINK: INCHIKEY JJWCTKUQWXYIIU-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID6063858 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO003049.txt b/Keio_Univ/MSBNK-Keio_Univ-KO003049.txt index 20c550793df..b7bd2bb983d 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO003049.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO003049.txt @@ -15,7 +15,7 @@ CH$IUPAC: InChI=1S/C16H22N6O4/c17-14(24)12-2-1-5-22(12)16(26)11(6-9-7-18-8-19-9) CH$LINK: CAS 24305-27-9 CH$LINK: KEGG C03958 CH$LINK: NIKKAJI J3.473H -CH$LINK: PUBCHEM SID:6679 +CH$LINK: PUBCHEM CID:638678 CH$LINK: INCHIKEY XNSAINXGIQZQOO-SRVKXCTJSA-N CH$LINK: COMPTOX DTXSID0023533 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO003050.txt b/Keio_Univ/MSBNK-Keio_Univ-KO003050.txt index c4025fbec4e..2b321894371 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO003050.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO003050.txt @@ -15,7 +15,7 @@ CH$IUPAC: InChI=1S/C16H22N6O4/c17-14(24)12-2-1-5-22(12)16(26)11(6-9-7-18-8-19-9) CH$LINK: CAS 24305-27-9 CH$LINK: KEGG C03958 CH$LINK: NIKKAJI J3.473H -CH$LINK: PUBCHEM SID:6679 +CH$LINK: PUBCHEM CID:638678 CH$LINK: INCHIKEY XNSAINXGIQZQOO-SRVKXCTJSA-N CH$LINK: COMPTOX DTXSID0023533 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO003051.txt b/Keio_Univ/MSBNK-Keio_Univ-KO003051.txt index ad61ba964a0..efe4b0a862a 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO003051.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO003051.txt @@ -15,7 +15,7 @@ CH$IUPAC: InChI=1S/C16H22N6O4/c17-14(24)12-2-1-5-22(12)16(26)11(6-9-7-18-8-19-9) CH$LINK: CAS 24305-27-9 CH$LINK: KEGG C03958 CH$LINK: NIKKAJI J3.473H -CH$LINK: PUBCHEM SID:6679 +CH$LINK: PUBCHEM CID:638678 CH$LINK: INCHIKEY XNSAINXGIQZQOO-SRVKXCTJSA-N CH$LINK: COMPTOX DTXSID0023533 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO003052.txt b/Keio_Univ/MSBNK-Keio_Univ-KO003052.txt index 04c1c0a88a2..c3594888974 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO003052.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO003052.txt @@ -15,7 +15,7 @@ CH$IUPAC: InChI=1S/C16H22N6O4/c17-14(24)12-2-1-5-22(12)16(26)11(6-9-7-18-8-19-9) CH$LINK: CAS 24305-27-9 CH$LINK: KEGG C03958 CH$LINK: NIKKAJI J3.473H -CH$LINK: PUBCHEM SID:6679 +CH$LINK: PUBCHEM CID:638678 CH$LINK: INCHIKEY XNSAINXGIQZQOO-SRVKXCTJSA-N CH$LINK: COMPTOX DTXSID0023533 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO003053.txt b/Keio_Univ/MSBNK-Keio_Univ-KO003053.txt index f77b1938e7f..0c1cd63efb6 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO003053.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO003053.txt @@ -15,7 +15,7 @@ CH$IUPAC: InChI=1S/C16H22N6O4/c17-14(24)12-2-1-5-22(12)16(26)11(6-9-7-18-8-19-9) CH$LINK: CAS 24305-27-9 CH$LINK: KEGG C03958 CH$LINK: NIKKAJI J3.473H -CH$LINK: PUBCHEM SID:6679 +CH$LINK: PUBCHEM CID:638678 CH$LINK: INCHIKEY XNSAINXGIQZQOO-SRVKXCTJSA-N CH$LINK: COMPTOX DTXSID0023533 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO003054.txt b/Keio_Univ/MSBNK-Keio_Univ-KO003054.txt index a1cf45b8cc5..4009d0d3cfc 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO003054.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO003054.txt @@ -17,7 +17,7 @@ CH$LINK: CHEBI CHEBI:15971 CH$LINK: CHEMPDB HIS CH$LINK: KEGG C00135 CH$LINK: NIKKAJI J4.881J -CH$LINK: PUBCHEM SID:3435 +CH$LINK: PUBCHEM CID:6274 CH$LINK: INCHIKEY HNDVDQJCIGZPNO-YFKPBYRVSA-N CH$LINK: COMPTOX DTXSID9023126 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO003055.txt b/Keio_Univ/MSBNK-Keio_Univ-KO003055.txt index bc8d9cf4efc..d1bf7381c08 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO003055.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO003055.txt @@ -17,7 +17,7 @@ CH$LINK: CHEBI CHEBI:15971 CH$LINK: CHEMPDB HIS CH$LINK: KEGG C00135 CH$LINK: NIKKAJI J4.881J -CH$LINK: PUBCHEM SID:3435 +CH$LINK: PUBCHEM CID:6274 CH$LINK: INCHIKEY HNDVDQJCIGZPNO-YFKPBYRVSA-N CH$LINK: COMPTOX DTXSID9023126 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO003056.txt b/Keio_Univ/MSBNK-Keio_Univ-KO003056.txt index a570e19ad2f..de9689f4602 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO003056.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO003056.txt @@ -17,7 +17,7 @@ CH$LINK: CHEBI CHEBI:15971 CH$LINK: CHEMPDB HIS CH$LINK: KEGG C00135 CH$LINK: NIKKAJI J4.881J -CH$LINK: PUBCHEM SID:3435 +CH$LINK: PUBCHEM CID:6274 CH$LINK: INCHIKEY HNDVDQJCIGZPNO-YFKPBYRVSA-N CH$LINK: COMPTOX DTXSID9023126 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO003057.txt b/Keio_Univ/MSBNK-Keio_Univ-KO003057.txt index cc55ac8f58e..0a3ec2fce9d 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO003057.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO003057.txt @@ -17,7 +17,7 @@ CH$LINK: CHEBI CHEBI:15971 CH$LINK: CHEMPDB HIS CH$LINK: KEGG C00135 CH$LINK: NIKKAJI J4.881J -CH$LINK: PUBCHEM SID:3435 +CH$LINK: PUBCHEM CID:6274 CH$LINK: INCHIKEY HNDVDQJCIGZPNO-YFKPBYRVSA-N CH$LINK: COMPTOX DTXSID9023126 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO003058.txt b/Keio_Univ/MSBNK-Keio_Univ-KO003058.txt index f8b9a8a7d9d..776ca40a016 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO003058.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO003058.txt @@ -17,7 +17,7 @@ CH$LINK: CHEBI CHEBI:15971 CH$LINK: CHEMPDB HIS CH$LINK: KEGG C00135 CH$LINK: NIKKAJI J4.881J -CH$LINK: PUBCHEM SID:3435 +CH$LINK: PUBCHEM CID:6274 CH$LINK: INCHIKEY HNDVDQJCIGZPNO-YFKPBYRVSA-N CH$LINK: COMPTOX DTXSID9023126 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO003059.txt b/Keio_Univ/MSBNK-Keio_Univ-KO003059.txt index 2ecc18a30f8..19ff3c232b2 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO003059.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO003059.txt @@ -17,7 +17,7 @@ CH$LINK: CHEBI CHEBI:15699 CH$LINK: CHEMPDB HSE CH$LINK: KEGG C00263 CH$LINK: NIKKAJI J9.199E -CH$LINK: PUBCHEM SID:3561 +CH$LINK: PUBCHEM CID:12647 CH$LINK: INCHIKEY UKAUYVFTDYCKQA-VKHMYHEASA-N CH$LINK: COMPTOX DTXSID5075159 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO003060.txt b/Keio_Univ/MSBNK-Keio_Univ-KO003060.txt index 49522b82c72..062290bb58e 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO003060.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO003060.txt @@ -17,7 +17,7 @@ CH$LINK: CHEBI CHEBI:15699 CH$LINK: CHEMPDB HSE CH$LINK: KEGG C00263 CH$LINK: NIKKAJI J9.199E -CH$LINK: PUBCHEM SID:3561 +CH$LINK: PUBCHEM CID:12647 CH$LINK: INCHIKEY UKAUYVFTDYCKQA-VKHMYHEASA-N CH$LINK: COMPTOX DTXSID5075159 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO003061.txt b/Keio_Univ/MSBNK-Keio_Univ-KO003061.txt index efc60177592..9a89b817f32 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO003061.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO003061.txt @@ -17,7 +17,7 @@ CH$LINK: CHEBI CHEBI:15699 CH$LINK: CHEMPDB HSE CH$LINK: KEGG C00263 CH$LINK: NIKKAJI J9.199E -CH$LINK: PUBCHEM SID:3561 +CH$LINK: PUBCHEM CID:12647 CH$LINK: INCHIKEY UKAUYVFTDYCKQA-VKHMYHEASA-N CH$LINK: COMPTOX DTXSID5075159 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO003062.txt b/Keio_Univ/MSBNK-Keio_Univ-KO003062.txt index aeb3ce073b5..2bec7793a7f 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO003062.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO003062.txt @@ -17,7 +17,7 @@ CH$LINK: CHEBI CHEBI:15699 CH$LINK: CHEMPDB HSE CH$LINK: KEGG C00263 CH$LINK: NIKKAJI J9.199E -CH$LINK: PUBCHEM SID:3561 +CH$LINK: PUBCHEM CID:12647 CH$LINK: INCHIKEY UKAUYVFTDYCKQA-VKHMYHEASA-N CH$LINK: COMPTOX DTXSID5075159 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO003068.txt b/Keio_Univ/MSBNK-Keio_Univ-KO003068.txt index b0d7fce496e..46e283c3dfb 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO003068.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO003068.txt @@ -16,7 +16,7 @@ CH$IUPAC: InChI=1S/C10H16N4O3/c11-3-1-2-9(15)14-8(10(16)17)4-7-5-12-6-13-7/h5-6, CH$LINK: CAS 3650-73-5 CH$LINK: KEGG C00884 CH$LINK: NIKKAJI J14.557B -CH$LINK: PUBCHEM SID:4140 +CH$LINK: PUBCHEM CID:10243361 CH$LINK: INCHIKEY CCLQKVKJOGVQLU-QMMMGPOBSA-N CH$LINK: COMPTOX DTXSID50942461 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO003069.txt b/Keio_Univ/MSBNK-Keio_Univ-KO003069.txt index d2e3c4d48be..61836860511 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO003069.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO003069.txt @@ -16,7 +16,7 @@ CH$IUPAC: InChI=1S/C10H16N4O3/c11-3-1-2-9(15)14-8(10(16)17)4-7-5-12-6-13-7/h5-6, CH$LINK: CAS 3650-73-5 CH$LINK: KEGG C00884 CH$LINK: NIKKAJI J14.557B -CH$LINK: PUBCHEM SID:4140 +CH$LINK: PUBCHEM CID:10243361 CH$LINK: INCHIKEY CCLQKVKJOGVQLU-QMMMGPOBSA-N CH$LINK: COMPTOX DTXSID50942461 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO003070.txt b/Keio_Univ/MSBNK-Keio_Univ-KO003070.txt index 86e830a0f87..db6c9c91c37 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO003070.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO003070.txt @@ -16,7 +16,7 @@ CH$IUPAC: InChI=1S/C10H16N4O3/c11-3-1-2-9(15)14-8(10(16)17)4-7-5-12-6-13-7/h5-6, CH$LINK: CAS 3650-73-5 CH$LINK: KEGG C00884 CH$LINK: NIKKAJI J14.557B -CH$LINK: PUBCHEM SID:4140 +CH$LINK: PUBCHEM CID:10243361 CH$LINK: INCHIKEY CCLQKVKJOGVQLU-QMMMGPOBSA-N CH$LINK: COMPTOX DTXSID50942461 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO003071.txt b/Keio_Univ/MSBNK-Keio_Univ-KO003071.txt index bd1a60e484a..c15ddfc5ed6 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO003071.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO003071.txt @@ -16,7 +16,7 @@ CH$IUPAC: InChI=1S/C10H16N4O3/c11-3-1-2-9(15)14-8(10(16)17)4-7-5-12-6-13-7/h5-6, CH$LINK: CAS 3650-73-5 CH$LINK: KEGG C00884 CH$LINK: NIKKAJI J14.557B -CH$LINK: PUBCHEM SID:4140 +CH$LINK: PUBCHEM CID:10243361 CH$LINK: INCHIKEY CCLQKVKJOGVQLU-QMMMGPOBSA-N CH$LINK: COMPTOX DTXSID50942461 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO003072.txt b/Keio_Univ/MSBNK-Keio_Univ-KO003072.txt index 8a3302278db..a2b6eab25c9 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO003072.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO003072.txt @@ -16,7 +16,7 @@ CH$IUPAC: InChI=1S/C10H16N4O3/c11-3-1-2-9(15)14-8(10(16)17)4-7-5-12-6-13-7/h5-6, CH$LINK: CAS 3650-73-5 CH$LINK: KEGG C00884 CH$LINK: NIKKAJI J14.557B -CH$LINK: PUBCHEM SID:4140 +CH$LINK: PUBCHEM CID:10243361 CH$LINK: INCHIKEY CCLQKVKJOGVQLU-QMMMGPOBSA-N CH$LINK: COMPTOX DTXSID50942461 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO003073.txt b/Keio_Univ/MSBNK-Keio_Univ-KO003073.txt index d161e231828..08e3853c283 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO003073.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO003073.txt @@ -16,7 +16,7 @@ CH$LINK: CHEBI CHEBI:17368 CH$LINK: CHEMPDB HPA CH$LINK: KEGG C00262 CH$LINK: NIKKAJI J1.934H -CH$LINK: PUBCHEM SID:3560 +CH$LINK: PUBCHEM CID:135398638 CH$LINK: INCHIKEY FDGQSTZJBFJUBT-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID8045983 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO003074.txt b/Keio_Univ/MSBNK-Keio_Univ-KO003074.txt index cfea7b3bb72..403f7e2ded5 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO003074.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO003074.txt @@ -16,7 +16,7 @@ CH$LINK: CHEBI CHEBI:17368 CH$LINK: CHEMPDB HPA CH$LINK: KEGG C00262 CH$LINK: NIKKAJI J1.934H -CH$LINK: PUBCHEM SID:3560 +CH$LINK: PUBCHEM CID:135398638 CH$LINK: INCHIKEY FDGQSTZJBFJUBT-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID8045983 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO003075.txt b/Keio_Univ/MSBNK-Keio_Univ-KO003075.txt index 3a6ba5ef6bb..ec38c877d41 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO003075.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO003075.txt @@ -16,7 +16,7 @@ CH$LINK: CHEBI CHEBI:17368 CH$LINK: CHEMPDB HPA CH$LINK: KEGG C00262 CH$LINK: NIKKAJI J1.934H -CH$LINK: PUBCHEM SID:3560 +CH$LINK: PUBCHEM CID:135398638 CH$LINK: INCHIKEY FDGQSTZJBFJUBT-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID8045983 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO003076.txt b/Keio_Univ/MSBNK-Keio_Univ-KO003076.txt index 40f61d7e525..e3dea3ac6c8 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO003076.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO003076.txt @@ -16,7 +16,7 @@ CH$LINK: CHEBI CHEBI:17368 CH$LINK: CHEMPDB HPA CH$LINK: KEGG C00262 CH$LINK: NIKKAJI J1.934H -CH$LINK: PUBCHEM SID:3560 +CH$LINK: PUBCHEM CID:135398638 CH$LINK: INCHIKEY FDGQSTZJBFJUBT-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID8045983 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO003077.txt b/Keio_Univ/MSBNK-Keio_Univ-KO003077.txt index d42525f34c7..7eb7590addc 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO003077.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO003077.txt @@ -16,7 +16,7 @@ CH$LINK: CHEBI CHEBI:17368 CH$LINK: CHEMPDB HPA CH$LINK: KEGG C00262 CH$LINK: NIKKAJI J1.934H -CH$LINK: PUBCHEM SID:3560 +CH$LINK: PUBCHEM CID:135398638 CH$LINK: INCHIKEY FDGQSTZJBFJUBT-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID8045983 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO003078.txt b/Keio_Univ/MSBNK-Keio_Univ-KO003078.txt index 744e705edb6..3ec2b5b5600 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO003078.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO003078.txt @@ -15,7 +15,7 @@ CH$LINK: CAS 5006-66-6 CH$LINK: CHEBI CHEBI:16168 CH$LINK: KEGG C01020 CH$LINK: NIKKAJI J208I -CH$LINK: PUBCHEM SID:4265 +CH$LINK: PUBCHEM CID:72924 CH$LINK: INCHIKEY BLHCMGRVFXRYRN-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID0057754 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO003079.txt b/Keio_Univ/MSBNK-Keio_Univ-KO003079.txt index 64631a673ab..cbd8d273d4d 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO003079.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO003079.txt @@ -15,7 +15,7 @@ CH$LINK: CAS 5006-66-6 CH$LINK: CHEBI CHEBI:16168 CH$LINK: KEGG C01020 CH$LINK: NIKKAJI J208I -CH$LINK: PUBCHEM SID:4265 +CH$LINK: PUBCHEM CID:72924 CH$LINK: INCHIKEY BLHCMGRVFXRYRN-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID0057754 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO003080.txt b/Keio_Univ/MSBNK-Keio_Univ-KO003080.txt index a5a5ffab271..a2df07765be 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO003080.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO003080.txt @@ -15,7 +15,7 @@ CH$LINK: CAS 5006-66-6 CH$LINK: CHEBI CHEBI:16168 CH$LINK: KEGG C01020 CH$LINK: NIKKAJI J208I -CH$LINK: PUBCHEM SID:4265 +CH$LINK: PUBCHEM CID:72924 CH$LINK: INCHIKEY BLHCMGRVFXRYRN-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID0057754 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO003081.txt b/Keio_Univ/MSBNK-Keio_Univ-KO003081.txt index d273c5567d7..289aa1be6e5 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO003081.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO003081.txt @@ -15,7 +15,7 @@ CH$LINK: CAS 5006-66-6 CH$LINK: CHEBI CHEBI:16168 CH$LINK: KEGG C01020 CH$LINK: NIKKAJI J208I -CH$LINK: PUBCHEM SID:4265 +CH$LINK: PUBCHEM CID:72924 CH$LINK: INCHIKEY BLHCMGRVFXRYRN-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID0057754 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO003082.txt b/Keio_Univ/MSBNK-Keio_Univ-KO003082.txt index 6ff9710c159..dcc1fc1cb96 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO003082.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO003082.txt @@ -15,7 +15,7 @@ CH$LINK: CAS 5006-66-6 CH$LINK: CHEBI CHEBI:16168 CH$LINK: KEGG C01020 CH$LINK: NIKKAJI J208I -CH$LINK: PUBCHEM SID:4265 +CH$LINK: PUBCHEM CID:72924 CH$LINK: INCHIKEY BLHCMGRVFXRYRN-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID0057754 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO003083.txt b/Keio_Univ/MSBNK-Keio_Univ-KO003083.txt index b0e95fd13de..3b06c103d3f 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO003083.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO003083.txt @@ -15,7 +15,7 @@ CH$LINK: CAS 300-84-5 CH$LINK: CHEBI CHEBI:16668 CH$LINK: KEGG C00519 CH$LINK: NIKKAJI J11.604A -CH$LINK: PUBCHEM SID:3802 +CH$LINK: PUBCHEM CID:107812 CH$LINK: INCHIKEY VVIUBCNYACGLLV-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID8075380 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO003084.txt b/Keio_Univ/MSBNK-Keio_Univ-KO003084.txt index 22761b4bd5c..4f19ab5f5d1 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO003084.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO003084.txt @@ -15,7 +15,7 @@ CH$LINK: CAS 300-84-5 CH$LINK: CHEBI CHEBI:16668 CH$LINK: KEGG C00519 CH$LINK: NIKKAJI J11.604A -CH$LINK: PUBCHEM SID:3802 +CH$LINK: PUBCHEM CID:107812 CH$LINK: INCHIKEY VVIUBCNYACGLLV-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID8075380 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO003085.txt b/Keio_Univ/MSBNK-Keio_Univ-KO003085.txt index 3454e5a4750..174c08644ba 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO003085.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO003085.txt @@ -15,7 +15,7 @@ CH$LINK: CAS 300-84-5 CH$LINK: CHEBI CHEBI:16668 CH$LINK: KEGG C00519 CH$LINK: NIKKAJI J11.604A -CH$LINK: PUBCHEM SID:3802 +CH$LINK: PUBCHEM CID:107812 CH$LINK: INCHIKEY VVIUBCNYACGLLV-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID8075380 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO003086.txt b/Keio_Univ/MSBNK-Keio_Univ-KO003086.txt index e8de56245ee..8749687a79b 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO003086.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO003086.txt @@ -15,7 +15,7 @@ CH$LINK: CAS 300-84-5 CH$LINK: CHEBI CHEBI:16668 CH$LINK: KEGG C00519 CH$LINK: NIKKAJI J11.604A -CH$LINK: PUBCHEM SID:3802 +CH$LINK: PUBCHEM CID:107812 CH$LINK: INCHIKEY VVIUBCNYACGLLV-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID8075380 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO003087.txt b/Keio_Univ/MSBNK-Keio_Univ-KO003087.txt index 821bee798f2..793ab7f2c5e 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO003087.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO003087.txt @@ -15,7 +15,7 @@ CH$LINK: CAS 300-84-5 CH$LINK: CHEBI CHEBI:16668 CH$LINK: KEGG C00519 CH$LINK: NIKKAJI J11.604A -CH$LINK: PUBCHEM SID:3802 +CH$LINK: PUBCHEM CID:107812 CH$LINK: INCHIKEY VVIUBCNYACGLLV-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID8075380 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO003088.txt b/Keio_Univ/MSBNK-Keio_Univ-KO003088.txt index d376e386ead..7fa0c836493 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO003088.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO003088.txt @@ -16,7 +16,7 @@ CH$LINK: CAS 142-08-5 CH$LINK: CHEBI CHEBI:16540 CH$LINK: KEGG C02502 CH$LINK: NIKKAJI J13.556I -CH$LINK: PUBCHEM SID:5514 +CH$LINK: PUBCHEM CID:8871 CH$LINK: INCHIKEY UBQKCCHYAOITMY-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID2051716 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO003089.txt b/Keio_Univ/MSBNK-Keio_Univ-KO003089.txt index 1743e9dc296..4b47bb2fd30 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO003089.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO003089.txt @@ -16,7 +16,7 @@ CH$LINK: CAS 142-08-5 CH$LINK: CHEBI CHEBI:16540 CH$LINK: KEGG C02502 CH$LINK: NIKKAJI J13.556I -CH$LINK: PUBCHEM SID:5514 +CH$LINK: PUBCHEM CID:8871 CH$LINK: INCHIKEY UBQKCCHYAOITMY-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID2051716 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO003090.txt b/Keio_Univ/MSBNK-Keio_Univ-KO003090.txt index 3c3b5e14e96..e9673985c52 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO003090.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO003090.txt @@ -16,7 +16,7 @@ CH$LINK: CAS 142-08-5 CH$LINK: CHEBI CHEBI:16540 CH$LINK: KEGG C02502 CH$LINK: NIKKAJI J13.556I -CH$LINK: PUBCHEM SID:5514 +CH$LINK: PUBCHEM CID:8871 CH$LINK: INCHIKEY UBQKCCHYAOITMY-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID2051716 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO003091.txt b/Keio_Univ/MSBNK-Keio_Univ-KO003091.txt index afc390feb59..f9b6e150da0 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO003091.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO003091.txt @@ -16,7 +16,7 @@ CH$LINK: CAS 142-08-5 CH$LINK: CHEBI CHEBI:16540 CH$LINK: KEGG C02502 CH$LINK: NIKKAJI J13.556I -CH$LINK: PUBCHEM SID:5514 +CH$LINK: PUBCHEM CID:8871 CH$LINK: INCHIKEY UBQKCCHYAOITMY-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID2051716 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO003092.txt b/Keio_Univ/MSBNK-Keio_Univ-KO003092.txt index 3e160b228b5..7dc87b15380 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO003092.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO003092.txt @@ -16,7 +16,7 @@ CH$LINK: CAS 142-08-5 CH$LINK: CHEBI CHEBI:16540 CH$LINK: KEGG C02502 CH$LINK: NIKKAJI J13.556I -CH$LINK: PUBCHEM SID:5514 +CH$LINK: PUBCHEM CID:8871 CH$LINK: INCHIKEY UBQKCCHYAOITMY-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID2051716 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO003093.txt b/Keio_Univ/MSBNK-Keio_Univ-KO003093.txt index 087b35fc2c8..b1af42b2444 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO003093.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO003093.txt @@ -14,7 +14,7 @@ CH$IUPAC: InChI=1S/C4H6N2O/c7-2-4-1-5-3-6-4/h1,3,7H,2H2,(H,5,6) CH$LINK: CAS 822-55-9 CH$LINK: KEGG C05562 CH$LINK: NIKKAJI J100.709B -CH$LINK: PUBCHEM SID:7892 +CH$LINK: PUBCHEM CID:1745 CH$LINK: INCHIKEY QDYTUZCWBJRHKK-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID40231619 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO003094.txt b/Keio_Univ/MSBNK-Keio_Univ-KO003094.txt index e19b3583c05..a853638f840 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO003094.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO003094.txt @@ -14,7 +14,7 @@ CH$IUPAC: InChI=1S/C4H6N2O/c7-2-4-1-5-3-6-4/h1,3,7H,2H2,(H,5,6) CH$LINK: CAS 822-55-9 CH$LINK: KEGG C05562 CH$LINK: NIKKAJI J100.709B -CH$LINK: PUBCHEM SID:7892 +CH$LINK: PUBCHEM CID:1745 CH$LINK: INCHIKEY QDYTUZCWBJRHKK-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID40231619 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO003095.txt b/Keio_Univ/MSBNK-Keio_Univ-KO003095.txt index 30bf1094e41..42775e74c86 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO003095.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO003095.txt @@ -14,7 +14,7 @@ CH$IUPAC: InChI=1S/C4H6N2O/c7-2-4-1-5-3-6-4/h1,3,7H,2H2,(H,5,6) CH$LINK: CAS 822-55-9 CH$LINK: KEGG C05562 CH$LINK: NIKKAJI J100.709B -CH$LINK: PUBCHEM SID:7892 +CH$LINK: PUBCHEM CID:1745 CH$LINK: INCHIKEY QDYTUZCWBJRHKK-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID40231619 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO003096.txt b/Keio_Univ/MSBNK-Keio_Univ-KO003096.txt index 249b7974d1a..2cdb9e5a137 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO003096.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO003096.txt @@ -14,7 +14,7 @@ CH$IUPAC: InChI=1S/C4H6N2O/c7-2-4-1-5-3-6-4/h1,3,7H,2H2,(H,5,6) CH$LINK: CAS 822-55-9 CH$LINK: KEGG C05562 CH$LINK: NIKKAJI J100.709B -CH$LINK: PUBCHEM SID:7892 +CH$LINK: PUBCHEM CID:1745 CH$LINK: INCHIKEY QDYTUZCWBJRHKK-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID40231619 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO003097.txt b/Keio_Univ/MSBNK-Keio_Univ-KO003097.txt index afbd1a7c383..36ef1782543 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO003097.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO003097.txt @@ -14,7 +14,7 @@ CH$IUPAC: InChI=1S/C4H6N2O/c7-2-4-1-5-3-6-4/h1,3,7H,2H2,(H,5,6) CH$LINK: CAS 822-55-9 CH$LINK: KEGG C05562 CH$LINK: NIKKAJI J100.709B -CH$LINK: PUBCHEM SID:7892 +CH$LINK: PUBCHEM CID:1745 CH$LINK: INCHIKEY QDYTUZCWBJRHKK-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID40231619 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO003103.txt b/Keio_Univ/MSBNK-Keio_Univ-KO003103.txt index d810db1170f..4db43f0d993 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO003103.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO003103.txt @@ -13,7 +13,7 @@ CH$IUPAC: InChI=1S/C12H10N2/c1-8-12-10(6-7-13-8)9-4-2-3-5-11(9)14-12/h2-7,14H,1H CH$LINK: CAS 486-84-0 CH$LINK: KEGG C09209 CH$LINK: NIKKAJI J1.550D -CH$LINK: PUBCHEM SID:11400 +CH$LINK: PUBCHEM CID:5281404 CH$LINK: INCHIKEY PSFDQSOCUJVVGF-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID80197568 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO003104.txt b/Keio_Univ/MSBNK-Keio_Univ-KO003104.txt index c90a514d2e4..abcaedd98f1 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO003104.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO003104.txt @@ -13,7 +13,7 @@ CH$IUPAC: InChI=1S/C12H10N2/c1-8-12-10(6-7-13-8)9-4-2-3-5-11(9)14-12/h2-7,14H,1H CH$LINK: CAS 486-84-0 CH$LINK: KEGG C09209 CH$LINK: NIKKAJI J1.550D -CH$LINK: PUBCHEM SID:11400 +CH$LINK: PUBCHEM CID:5281404 CH$LINK: INCHIKEY PSFDQSOCUJVVGF-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID80197568 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO003105.txt b/Keio_Univ/MSBNK-Keio_Univ-KO003105.txt index 51246854523..1e336bc519e 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO003105.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO003105.txt @@ -13,7 +13,7 @@ CH$IUPAC: InChI=1S/C12H10N2/c1-8-12-10(6-7-13-8)9-4-2-3-5-11(9)14-12/h2-7,14H,1H CH$LINK: CAS 486-84-0 CH$LINK: KEGG C09209 CH$LINK: NIKKAJI J1.550D -CH$LINK: PUBCHEM SID:11400 +CH$LINK: PUBCHEM CID:5281404 CH$LINK: INCHIKEY PSFDQSOCUJVVGF-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID80197568 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO003106.txt b/Keio_Univ/MSBNK-Keio_Univ-KO003106.txt index f8aaa93d403..484e8706ae3 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO003106.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO003106.txt @@ -13,7 +13,7 @@ CH$IUPAC: InChI=1S/C12H10N2/c1-8-12-10(6-7-13-8)9-4-2-3-5-11(9)14-12/h2-7,14H,1H CH$LINK: CAS 486-84-0 CH$LINK: KEGG C09209 CH$LINK: NIKKAJI J1.550D -CH$LINK: PUBCHEM SID:11400 +CH$LINK: PUBCHEM CID:5281404 CH$LINK: INCHIKEY PSFDQSOCUJVVGF-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID80197568 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO003107.txt b/Keio_Univ/MSBNK-Keio_Univ-KO003107.txt index d57eec18073..20db6dbf857 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO003107.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO003107.txt @@ -13,7 +13,7 @@ CH$IUPAC: InChI=1S/C12H10N2/c1-8-12-10(6-7-13-8)9-4-2-3-5-11(9)14-12/h2-7,14H,1H CH$LINK: CAS 486-84-0 CH$LINK: KEGG C09209 CH$LINK: NIKKAJI J1.550D -CH$LINK: PUBCHEM SID:11400 +CH$LINK: PUBCHEM CID:5281404 CH$LINK: INCHIKEY PSFDQSOCUJVVGF-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID80197568 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO003113.txt b/Keio_Univ/MSBNK-Keio_Univ-KO003113.txt index 99b17a25740..97de2057331 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO003113.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO003113.txt @@ -15,7 +15,7 @@ CH$LINK: CAS 2584-71-6 CH$LINK: CHEBI CHEBI:16231 CH$LINK: KEGG C03440 CH$LINK: NIKKAJI J192.095B -CH$LINK: PUBCHEM SID:6264 +CH$LINK: PUBCHEM CID:440014 CH$LINK: INCHIKEY PMMYEEVYMWASQN-QWWZWVQMSA-N CH$LINK: COMPTOX DTXSID20180494 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO003114.txt b/Keio_Univ/MSBNK-Keio_Univ-KO003114.txt index 0eaf716f278..ada6d26c63d 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO003114.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO003114.txt @@ -15,7 +15,7 @@ CH$LINK: CAS 2584-71-6 CH$LINK: CHEBI CHEBI:16231 CH$LINK: KEGG C03440 CH$LINK: NIKKAJI J192.095B -CH$LINK: PUBCHEM SID:6264 +CH$LINK: PUBCHEM CID:440014 CH$LINK: INCHIKEY PMMYEEVYMWASQN-QWWZWVQMSA-N CH$LINK: COMPTOX DTXSID20180494 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO003115.txt b/Keio_Univ/MSBNK-Keio_Univ-KO003115.txt index 4661a3795ba..a7dfbb97142 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO003115.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO003115.txt @@ -15,7 +15,7 @@ CH$LINK: CAS 2584-71-6 CH$LINK: CHEBI CHEBI:16231 CH$LINK: KEGG C03440 CH$LINK: NIKKAJI J192.095B -CH$LINK: PUBCHEM SID:6264 +CH$LINK: PUBCHEM CID:440014 CH$LINK: INCHIKEY PMMYEEVYMWASQN-QWWZWVQMSA-N CH$LINK: COMPTOX DTXSID20180494 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO003116.txt b/Keio_Univ/MSBNK-Keio_Univ-KO003116.txt index 075bcac7116..5d2ce9d6085 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO003116.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO003116.txt @@ -15,7 +15,7 @@ CH$LINK: CAS 2584-71-6 CH$LINK: CHEBI CHEBI:16231 CH$LINK: KEGG C03440 CH$LINK: NIKKAJI J192.095B -CH$LINK: PUBCHEM SID:6264 +CH$LINK: PUBCHEM CID:440014 CH$LINK: INCHIKEY PMMYEEVYMWASQN-QWWZWVQMSA-N CH$LINK: COMPTOX DTXSID20180494 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO003117.txt b/Keio_Univ/MSBNK-Keio_Univ-KO003117.txt index 4ee8e03b33a..bcfbc270b22 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO003117.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO003117.txt @@ -15,7 +15,7 @@ CH$LINK: CAS 2584-71-6 CH$LINK: CHEBI CHEBI:16231 CH$LINK: KEGG C03440 CH$LINK: NIKKAJI J192.095B -CH$LINK: PUBCHEM SID:6264 +CH$LINK: PUBCHEM CID:440014 CH$LINK: INCHIKEY PMMYEEVYMWASQN-QWWZWVQMSA-N CH$LINK: COMPTOX DTXSID20180494 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO003118.txt b/Keio_Univ/MSBNK-Keio_Univ-KO003118.txt index 3b7ab268b3d..7df925bdc98 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO003118.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO003118.txt @@ -12,7 +12,7 @@ CH$EXACT_MASS: 224.07971 CH$SMILES: OC(=O)C(N)CC(=O)c(c1)c(N)c(O)cc1 CH$IUPAC: InChI=1S/C10H12N2O4/c11-6(10(15)16)4-8(14)5-2-1-3-7(13)9(5)12/h1-3,6,13H,4,11-12H2,(H,15,16) CH$LINK: KEGG C02794 -CH$LINK: PUBCHEM SID:5745 +CH$LINK: PUBCHEM CID:89 CH$LINK: INCHIKEY VCKPUUFAIGNJHC-UHFFFAOYSA-N AC$INSTRUMENT: API3000, Applied Biosystems AC$INSTRUMENT_TYPE: LC-ESI-QQ diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO003119.txt b/Keio_Univ/MSBNK-Keio_Univ-KO003119.txt index 5b358d10d00..48393e7eda0 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO003119.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO003119.txt @@ -12,7 +12,7 @@ CH$EXACT_MASS: 224.07971 CH$SMILES: OC(=O)C(N)CC(=O)c(c1)c(N)c(O)cc1 CH$IUPAC: InChI=1S/C10H12N2O4/c11-6(10(15)16)4-8(14)5-2-1-3-7(13)9(5)12/h1-3,6,13H,4,11-12H2,(H,15,16) CH$LINK: KEGG C02794 -CH$LINK: PUBCHEM SID:5745 +CH$LINK: PUBCHEM CID:89 CH$LINK: INCHIKEY VCKPUUFAIGNJHC-UHFFFAOYSA-N AC$INSTRUMENT: API3000, Applied Biosystems AC$INSTRUMENT_TYPE: LC-ESI-QQ diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO003120.txt b/Keio_Univ/MSBNK-Keio_Univ-KO003120.txt index 4dca9baeae6..3852d4040d6 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO003120.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO003120.txt @@ -12,7 +12,7 @@ CH$EXACT_MASS: 224.07971 CH$SMILES: OC(=O)C(N)CC(=O)c(c1)c(N)c(O)cc1 CH$IUPAC: InChI=1S/C10H12N2O4/c11-6(10(15)16)4-8(14)5-2-1-3-7(13)9(5)12/h1-3,6,13H,4,11-12H2,(H,15,16) CH$LINK: KEGG C02794 -CH$LINK: PUBCHEM SID:5745 +CH$LINK: PUBCHEM CID:89 CH$LINK: INCHIKEY VCKPUUFAIGNJHC-UHFFFAOYSA-N AC$INSTRUMENT: API3000, Applied Biosystems AC$INSTRUMENT_TYPE: LC-ESI-QQ diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO003121.txt b/Keio_Univ/MSBNK-Keio_Univ-KO003121.txt index 8446d204514..9caa6484cdd 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO003121.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO003121.txt @@ -12,7 +12,7 @@ CH$EXACT_MASS: 224.07971 CH$SMILES: OC(=O)C(N)CC(=O)c(c1)c(N)c(O)cc1 CH$IUPAC: InChI=1S/C10H12N2O4/c11-6(10(15)16)4-8(14)5-2-1-3-7(13)9(5)12/h1-3,6,13H,4,11-12H2,(H,15,16) CH$LINK: KEGG C02794 -CH$LINK: PUBCHEM SID:5745 +CH$LINK: PUBCHEM CID:89 CH$LINK: INCHIKEY VCKPUUFAIGNJHC-UHFFFAOYSA-N AC$INSTRUMENT: API3000, Applied Biosystems AC$INSTRUMENT_TYPE: LC-ESI-QQ diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO003122.txt b/Keio_Univ/MSBNK-Keio_Univ-KO003122.txt index 9425bd5e659..a2f19b8db92 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO003122.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO003122.txt @@ -12,7 +12,7 @@ CH$EXACT_MASS: 224.07971 CH$SMILES: OC(=O)C(N)CC(=O)c(c1)c(N)c(O)cc1 CH$IUPAC: InChI=1S/C10H12N2O4/c11-6(10(15)16)4-8(14)5-2-1-3-7(13)9(5)12/h1-3,6,13H,4,11-12H2,(H,15,16) CH$LINK: KEGG C02794 -CH$LINK: PUBCHEM SID:5745 +CH$LINK: PUBCHEM CID:89 CH$LINK: INCHIKEY VCKPUUFAIGNJHC-UHFFFAOYSA-N AC$INSTRUMENT: API3000, Applied Biosystems AC$INSTRUMENT_TYPE: LC-ESI-QQ diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO003123.txt b/Keio_Univ/MSBNK-Keio_Univ-KO003123.txt index 5a447062db1..6957d9d588a 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO003123.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO003123.txt @@ -13,7 +13,7 @@ CH$EXACT_MASS: 191.05824 CH$SMILES: C1=CC2=C(C=C1O)C(=CN2)CC(=O)O CH$IUPAC: InChI=1S/C10H9NO3/c12-7-1-2-9-8(4-7)6(5-11-9)3-10(13)14/h1-2,4-5,11-12H,3H2,(H,13,14) CH$LINK: KEGG C05635 -CH$LINK: PUBCHEM SID:7946 +CH$LINK: PUBCHEM CID:1826 CH$LINK: INCHIKEY DUUGKQCEGZLZNO-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID50861582 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO003124.txt b/Keio_Univ/MSBNK-Keio_Univ-KO003124.txt index bf615ffc496..dbcf7203d98 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO003124.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO003124.txt @@ -13,7 +13,7 @@ CH$EXACT_MASS: 191.05824 CH$SMILES: C1=CC2=C(C=C1O)C(=CN2)CC(=O)O CH$IUPAC: InChI=1S/C10H9NO3/c12-7-1-2-9-8(4-7)6(5-11-9)3-10(13)14/h1-2,4-5,11-12H,3H2,(H,13,14) CH$LINK: KEGG C05635 -CH$LINK: PUBCHEM SID:7946 +CH$LINK: PUBCHEM CID:1826 CH$LINK: INCHIKEY DUUGKQCEGZLZNO-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID50861582 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO003125.txt b/Keio_Univ/MSBNK-Keio_Univ-KO003125.txt index 185d309dac3..7c85035a0b6 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO003125.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO003125.txt @@ -13,7 +13,7 @@ CH$EXACT_MASS: 191.05824 CH$SMILES: C1=CC2=C(C=C1O)C(=CN2)CC(=O)O CH$IUPAC: InChI=1S/C10H9NO3/c12-7-1-2-9-8(4-7)6(5-11-9)3-10(13)14/h1-2,4-5,11-12H,3H2,(H,13,14) CH$LINK: KEGG C05635 -CH$LINK: PUBCHEM SID:7946 +CH$LINK: PUBCHEM CID:1826 CH$LINK: INCHIKEY DUUGKQCEGZLZNO-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID50861582 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO003126.txt b/Keio_Univ/MSBNK-Keio_Univ-KO003126.txt index 23166d2e99e..61e491c9f33 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO003126.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO003126.txt @@ -13,7 +13,7 @@ CH$EXACT_MASS: 191.05824 CH$SMILES: C1=CC2=C(C=C1O)C(=CN2)CC(=O)O CH$IUPAC: InChI=1S/C10H9NO3/c12-7-1-2-9-8(4-7)6(5-11-9)3-10(13)14/h1-2,4-5,11-12H,3H2,(H,13,14) CH$LINK: KEGG C05635 -CH$LINK: PUBCHEM SID:7946 +CH$LINK: PUBCHEM CID:1826 CH$LINK: INCHIKEY DUUGKQCEGZLZNO-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID50861582 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO003127.txt b/Keio_Univ/MSBNK-Keio_Univ-KO003127.txt index 993dbacb83e..917f7948806 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO003127.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO003127.txt @@ -13,7 +13,7 @@ CH$EXACT_MASS: 191.05824 CH$SMILES: C1=CC2=C(C=C1O)C(=CN2)CC(=O)O CH$IUPAC: InChI=1S/C10H9NO3/c12-7-1-2-9-8(4-7)6(5-11-9)3-10(13)14/h1-2,4-5,11-12H,3H2,(H,13,14) CH$LINK: KEGG C05635 -CH$LINK: PUBCHEM SID:7946 +CH$LINK: PUBCHEM CID:1826 CH$LINK: INCHIKEY DUUGKQCEGZLZNO-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID50861582 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO003128.txt b/Keio_Univ/MSBNK-Keio_Univ-KO003128.txt index d3d1d3c9c63..5dd74017019 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO003128.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO003128.txt @@ -17,7 +17,7 @@ CH$LINK: CHEBI CHEBI:18295 CH$LINK: CHEMPDB HSM CH$LINK: KEGG C00388 CH$LINK: NIKKAJI J4.117C -CH$LINK: PUBCHEM SID:3678 +CH$LINK: PUBCHEM CID:774 CH$LINK: INCHIKEY NTYJJOPFIAHURM-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID4023125 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO003129.txt b/Keio_Univ/MSBNK-Keio_Univ-KO003129.txt index a2d61302873..020ab6061d2 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO003129.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO003129.txt @@ -17,7 +17,7 @@ CH$LINK: CHEBI CHEBI:18295 CH$LINK: CHEMPDB HSM CH$LINK: KEGG C00388 CH$LINK: NIKKAJI J4.117C -CH$LINK: PUBCHEM SID:3678 +CH$LINK: PUBCHEM CID:774 CH$LINK: INCHIKEY NTYJJOPFIAHURM-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID4023125 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO003130.txt b/Keio_Univ/MSBNK-Keio_Univ-KO003130.txt index d86c590e0a2..cd5bca70467 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO003130.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO003130.txt @@ -17,7 +17,7 @@ CH$LINK: CHEBI CHEBI:18295 CH$LINK: CHEMPDB HSM CH$LINK: KEGG C00388 CH$LINK: NIKKAJI J4.117C -CH$LINK: PUBCHEM SID:3678 +CH$LINK: PUBCHEM CID:774 CH$LINK: INCHIKEY NTYJJOPFIAHURM-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID4023125 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO003131.txt b/Keio_Univ/MSBNK-Keio_Univ-KO003131.txt index da739992a5b..f57ff855f85 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO003131.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO003131.txt @@ -17,7 +17,7 @@ CH$LINK: CHEBI CHEBI:18295 CH$LINK: CHEMPDB HSM CH$LINK: KEGG C00388 CH$LINK: NIKKAJI J4.117C -CH$LINK: PUBCHEM SID:3678 +CH$LINK: PUBCHEM CID:774 CH$LINK: INCHIKEY NTYJJOPFIAHURM-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID4023125 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO003132.txt b/Keio_Univ/MSBNK-Keio_Univ-KO003132.txt index 8548c86ad7f..66b8717d84b 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO003132.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO003132.txt @@ -17,7 +17,7 @@ CH$LINK: CHEBI CHEBI:18295 CH$LINK: CHEMPDB HSM CH$LINK: KEGG C00388 CH$LINK: NIKKAJI J4.117C -CH$LINK: PUBCHEM SID:3678 +CH$LINK: PUBCHEM CID:774 CH$LINK: INCHIKEY NTYJJOPFIAHURM-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID4023125 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO003138.txt b/Keio_Univ/MSBNK-Keio_Univ-KO003138.txt index ccb7a03b008..bbae8e577b9 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO003138.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO003138.txt @@ -12,7 +12,7 @@ CH$EXACT_MASS: 141.09021 CH$SMILES: C1=C(NC=N1)C[C@@H](CO)N CH$IUPAC: InChI=1S/C6H11N3O/c7-5(3-10)1-6-2-8-4-9-6/h2,4-5,10H,1,3,7H2,(H,8,9)/t5-/m0/s1 CH$LINK: KEGG C00860 -CH$LINK: PUBCHEM SID:4117 +CH$LINK: PUBCHEM CID:165271 CH$LINK: INCHIKEY ZQISRDCJNBUVMM-YFKPBYRVSA-N CH$LINK: COMPTOX DTXSID50863460 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO003139.txt b/Keio_Univ/MSBNK-Keio_Univ-KO003139.txt index 6bd20ae7ce2..f13a7fe6871 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO003139.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO003139.txt @@ -12,7 +12,7 @@ CH$EXACT_MASS: 141.09021 CH$SMILES: C1=C(NC=N1)C[C@@H](CO)N CH$IUPAC: InChI=1S/C6H11N3O/c7-5(3-10)1-6-2-8-4-9-6/h2,4-5,10H,1,3,7H2,(H,8,9)/t5-/m0/s1 CH$LINK: KEGG C00860 -CH$LINK: PUBCHEM SID:4117 +CH$LINK: PUBCHEM CID:165271 CH$LINK: INCHIKEY ZQISRDCJNBUVMM-YFKPBYRVSA-N CH$LINK: COMPTOX DTXSID50863460 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO003140.txt b/Keio_Univ/MSBNK-Keio_Univ-KO003140.txt index 1f723ab99c6..e52cfb005a2 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO003140.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO003140.txt @@ -12,7 +12,7 @@ CH$EXACT_MASS: 141.09021 CH$SMILES: C1=C(NC=N1)C[C@@H](CO)N CH$IUPAC: InChI=1S/C6H11N3O/c7-5(3-10)1-6-2-8-4-9-6/h2,4-5,10H,1,3,7H2,(H,8,9)/t5-/m0/s1 CH$LINK: KEGG C00860 -CH$LINK: PUBCHEM SID:4117 +CH$LINK: PUBCHEM CID:165271 CH$LINK: INCHIKEY ZQISRDCJNBUVMM-YFKPBYRVSA-N CH$LINK: COMPTOX DTXSID50863460 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO003141.txt b/Keio_Univ/MSBNK-Keio_Univ-KO003141.txt index 108a998612f..ac250c42505 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO003141.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO003141.txt @@ -12,7 +12,7 @@ CH$EXACT_MASS: 141.09021 CH$SMILES: C1=C(NC=N1)C[C@@H](CO)N CH$IUPAC: InChI=1S/C6H11N3O/c7-5(3-10)1-6-2-8-4-9-6/h2,4-5,10H,1,3,7H2,(H,8,9)/t5-/m0/s1 CH$LINK: KEGG C00860 -CH$LINK: PUBCHEM SID:4117 +CH$LINK: PUBCHEM CID:165271 CH$LINK: INCHIKEY ZQISRDCJNBUVMM-YFKPBYRVSA-N CH$LINK: COMPTOX DTXSID50863460 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO003142.txt b/Keio_Univ/MSBNK-Keio_Univ-KO003142.txt index d8e3032871c..4329119410f 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO003142.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO003142.txt @@ -12,7 +12,7 @@ CH$EXACT_MASS: 141.09021 CH$SMILES: C1=C(NC=N1)C[C@@H](CO)N CH$IUPAC: InChI=1S/C6H11N3O/c7-5(3-10)1-6-2-8-4-9-6/h2,4-5,10H,1,3,7H2,(H,8,9)/t5-/m0/s1 CH$LINK: KEGG C00860 -CH$LINK: PUBCHEM SID:4117 +CH$LINK: PUBCHEM CID:165271 CH$LINK: INCHIKEY ZQISRDCJNBUVMM-YFKPBYRVSA-N CH$LINK: COMPTOX DTXSID50863460 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO003143.txt b/Keio_Univ/MSBNK-Keio_Univ-KO003143.txt index 4a82a06a931..d4a93651666 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO003143.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO003143.txt @@ -13,7 +13,7 @@ CH$IUPAC: InChI=1S/C7H16N4O2/c8-5(6(12)13)3-1-2-4-11-7(9)10/h5H,1-4,8H2,(H,12,13 CH$LINK: CAS 156-86-5 CH$LINK: KEGG C01924 CH$LINK: NIKKAJI J24H -CH$LINK: PUBCHEM SID:5030 +CH$LINK: PUBCHEM CID:9085 CH$LINK: INCHIKEY QUOGESRFPZDMMT-YFKPBYRVSA-N CH$LINK: COMPTOX DTXSID70926980 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO003144.txt b/Keio_Univ/MSBNK-Keio_Univ-KO003144.txt index ddbcad84e86..b52659e99a9 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO003144.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO003144.txt @@ -13,7 +13,7 @@ CH$IUPAC: InChI=1S/C7H16N4O2/c8-5(6(12)13)3-1-2-4-11-7(9)10/h5H,1-4,8H2,(H,12,13 CH$LINK: CAS 156-86-5 CH$LINK: KEGG C01924 CH$LINK: NIKKAJI J24H -CH$LINK: PUBCHEM SID:5030 +CH$LINK: PUBCHEM CID:9085 CH$LINK: INCHIKEY QUOGESRFPZDMMT-YFKPBYRVSA-N CH$LINK: COMPTOX DTXSID70926980 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO003145.txt b/Keio_Univ/MSBNK-Keio_Univ-KO003145.txt index 755629cbd1b..ae93f238870 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO003145.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO003145.txt @@ -13,7 +13,7 @@ CH$IUPAC: InChI=1S/C7H16N4O2/c8-5(6(12)13)3-1-2-4-11-7(9)10/h5H,1-4,8H2,(H,12,13 CH$LINK: CAS 156-86-5 CH$LINK: KEGG C01924 CH$LINK: NIKKAJI J24H -CH$LINK: PUBCHEM SID:5030 +CH$LINK: PUBCHEM CID:9085 CH$LINK: INCHIKEY QUOGESRFPZDMMT-YFKPBYRVSA-N CH$LINK: COMPTOX DTXSID70926980 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO003146.txt b/Keio_Univ/MSBNK-Keio_Univ-KO003146.txt index 15b77b6c3ce..a82cfd5547b 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO003146.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO003146.txt @@ -13,7 +13,7 @@ CH$IUPAC: InChI=1S/C7H16N4O2/c8-5(6(12)13)3-1-2-4-11-7(9)10/h5H,1-4,8H2,(H,12,13 CH$LINK: CAS 156-86-5 CH$LINK: KEGG C01924 CH$LINK: NIKKAJI J24H -CH$LINK: PUBCHEM SID:5030 +CH$LINK: PUBCHEM CID:9085 CH$LINK: INCHIKEY QUOGESRFPZDMMT-YFKPBYRVSA-N CH$LINK: COMPTOX DTXSID70926980 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO003147.txt b/Keio_Univ/MSBNK-Keio_Univ-KO003147.txt index d2e3eddfb4b..ce318384c90 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO003147.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO003147.txt @@ -13,7 +13,7 @@ CH$IUPAC: InChI=1S/C7H16N4O2/c8-5(6(12)13)3-1-2-4-11-7(9)10/h5H,1-4,8H2,(H,12,13 CH$LINK: CAS 156-86-5 CH$LINK: KEGG C01924 CH$LINK: NIKKAJI J24H -CH$LINK: PUBCHEM SID:5030 +CH$LINK: PUBCHEM CID:9085 CH$LINK: INCHIKEY QUOGESRFPZDMMT-YFKPBYRVSA-N CH$LINK: COMPTOX DTXSID70926980 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO003148.txt b/Keio_Univ/MSBNK-Keio_Univ-KO003148.txt index 442c6315f6c..1f8011fd8fc 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO003148.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO003148.txt @@ -19,7 +19,7 @@ CH$LINK: CAS 51-61-6 CH$LINK: CHEBI CHEBI:18243 CH$LINK: KEGG C03758 CH$LINK: NIKKAJI J4.120C -CH$LINK: PUBCHEM SID:6517 +CH$LINK: PUBCHEM CID:681 CH$LINK: INCHIKEY VYFYYTLLBUKUHU-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID6022420 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO003149.txt b/Keio_Univ/MSBNK-Keio_Univ-KO003149.txt index 21a23154114..f8ebd10bc6b 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO003149.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO003149.txt @@ -19,7 +19,7 @@ CH$LINK: CAS 51-61-6 CH$LINK: CHEBI CHEBI:18243 CH$LINK: KEGG C03758 CH$LINK: NIKKAJI J4.120C -CH$LINK: PUBCHEM SID:6517 +CH$LINK: PUBCHEM CID:681 CH$LINK: INCHIKEY VYFYYTLLBUKUHU-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID6022420 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO003150.txt b/Keio_Univ/MSBNK-Keio_Univ-KO003150.txt index 36eb5be5916..95bc8f3cd07 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO003150.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO003150.txt @@ -19,7 +19,7 @@ CH$LINK: CAS 51-61-6 CH$LINK: CHEBI CHEBI:18243 CH$LINK: KEGG C03758 CH$LINK: NIKKAJI J4.120C -CH$LINK: PUBCHEM SID:6517 +CH$LINK: PUBCHEM CID:681 CH$LINK: INCHIKEY VYFYYTLLBUKUHU-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID6022420 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO003151.txt b/Keio_Univ/MSBNK-Keio_Univ-KO003151.txt index e95130987a3..4377b82d20c 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO003151.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO003151.txt @@ -19,7 +19,7 @@ CH$LINK: CAS 51-61-6 CH$LINK: CHEBI CHEBI:18243 CH$LINK: KEGG C03758 CH$LINK: NIKKAJI J4.120C -CH$LINK: PUBCHEM SID:6517 +CH$LINK: PUBCHEM CID:681 CH$LINK: INCHIKEY VYFYYTLLBUKUHU-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID6022420 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO003152.txt b/Keio_Univ/MSBNK-Keio_Univ-KO003152.txt index b834bdf8f89..112a5a5aa75 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO003152.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO003152.txt @@ -19,7 +19,7 @@ CH$LINK: CAS 51-61-6 CH$LINK: CHEBI CHEBI:18243 CH$LINK: KEGG C03758 CH$LINK: NIKKAJI J4.120C -CH$LINK: PUBCHEM SID:6517 +CH$LINK: PUBCHEM CID:681 CH$LINK: INCHIKEY VYFYYTLLBUKUHU-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID6022420 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO003153.txt b/Keio_Univ/MSBNK-Keio_Univ-KO003153.txt index 418b3f429fe..1487ed1a6d4 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO003153.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO003153.txt @@ -16,7 +16,7 @@ CH$LINK: CHEBI CHEBI:4761 CH$LINK: CHEMPDB DMO CH$LINK: KEGG C07997 CH$LINK: NIKKAJI J290.818B -CH$LINK: PUBCHEM SID:10198 +CH$LINK: PUBCHEM CID:3009 CH$LINK: INCHIKEY VLCYCQAOQCDTCN-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID3020467 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO003154.txt b/Keio_Univ/MSBNK-Keio_Univ-KO003154.txt index 49abb921fe3..f255626ef59 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO003154.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO003154.txt @@ -16,7 +16,7 @@ CH$LINK: CHEBI CHEBI:4761 CH$LINK: CHEMPDB DMO CH$LINK: KEGG C07997 CH$LINK: NIKKAJI J290.818B -CH$LINK: PUBCHEM SID:10198 +CH$LINK: PUBCHEM CID:3009 CH$LINK: INCHIKEY VLCYCQAOQCDTCN-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID3020467 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO003155.txt b/Keio_Univ/MSBNK-Keio_Univ-KO003155.txt index 1dc5212ea20..5ce26638993 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO003155.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO003155.txt @@ -16,7 +16,7 @@ CH$LINK: CHEBI CHEBI:4761 CH$LINK: CHEMPDB DMO CH$LINK: KEGG C07997 CH$LINK: NIKKAJI J290.818B -CH$LINK: PUBCHEM SID:10198 +CH$LINK: PUBCHEM CID:3009 CH$LINK: INCHIKEY VLCYCQAOQCDTCN-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID3020467 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO003156.txt b/Keio_Univ/MSBNK-Keio_Univ-KO003156.txt index 7c8dcc8192a..b97728db41d 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO003156.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO003156.txt @@ -16,7 +16,7 @@ CH$LINK: CHEBI CHEBI:4761 CH$LINK: CHEMPDB DMO CH$LINK: KEGG C07997 CH$LINK: NIKKAJI J290.818B -CH$LINK: PUBCHEM SID:10198 +CH$LINK: PUBCHEM CID:3009 CH$LINK: INCHIKEY VLCYCQAOQCDTCN-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID3020467 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO003157.txt b/Keio_Univ/MSBNK-Keio_Univ-KO003157.txt index c8f12f0bf92..5c5d8f4418e 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO003157.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO003157.txt @@ -16,7 +16,7 @@ CH$LINK: CHEBI CHEBI:4761 CH$LINK: CHEMPDB DMO CH$LINK: KEGG C07997 CH$LINK: NIKKAJI J290.818B -CH$LINK: PUBCHEM SID:10198 +CH$LINK: PUBCHEM CID:3009 CH$LINK: INCHIKEY VLCYCQAOQCDTCN-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID3020467 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO003158.txt b/Keio_Univ/MSBNK-Keio_Univ-KO003158.txt index 2e077d3dd5b..2f72e89f96d 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO003158.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO003158.txt @@ -15,7 +15,7 @@ CH$LINK: CAS 127-07-1 CH$LINK: CHEBI CHEBI:5816 CH$LINK: KEGG C07044 CH$LINK: NIKKAJI J2.937H -CH$LINK: PUBCHEM SID:9256 +CH$LINK: PUBCHEM CID:3657 CH$LINK: INCHIKEY VSNHCAURESNICA-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID6025438 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO003159.txt b/Keio_Univ/MSBNK-Keio_Univ-KO003159.txt index c3483ad86df..e1e3bcbb218 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO003159.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO003159.txt @@ -15,7 +15,7 @@ CH$LINK: CAS 127-07-1 CH$LINK: CHEBI CHEBI:5816 CH$LINK: KEGG C07044 CH$LINK: NIKKAJI J2.937H -CH$LINK: PUBCHEM SID:9256 +CH$LINK: PUBCHEM CID:3657 CH$LINK: INCHIKEY VSNHCAURESNICA-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID6025438 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO003160.txt b/Keio_Univ/MSBNK-Keio_Univ-KO003160.txt index a3941c24bcf..1e9af08bd19 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO003160.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO003160.txt @@ -15,7 +15,7 @@ CH$LINK: CAS 127-07-1 CH$LINK: CHEBI CHEBI:5816 CH$LINK: KEGG C07044 CH$LINK: NIKKAJI J2.937H -CH$LINK: PUBCHEM SID:9256 +CH$LINK: PUBCHEM CID:3657 CH$LINK: INCHIKEY VSNHCAURESNICA-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID6025438 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO003161.txt b/Keio_Univ/MSBNK-Keio_Univ-KO003161.txt index d9366d7a053..60a74bc81a2 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO003161.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO003161.txt @@ -15,7 +15,7 @@ CH$LINK: CAS 127-07-1 CH$LINK: CHEBI CHEBI:5816 CH$LINK: KEGG C07044 CH$LINK: NIKKAJI J2.937H -CH$LINK: PUBCHEM SID:9256 +CH$LINK: PUBCHEM CID:3657 CH$LINK: INCHIKEY VSNHCAURESNICA-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID6025438 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO003167.txt b/Keio_Univ/MSBNK-Keio_Univ-KO003167.txt index d595f9e1dc5..55a1da6f700 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO003167.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO003167.txt @@ -15,7 +15,7 @@ CH$LINK: CAS 611-36-9 CH$LINK: CHEBI CHEBI:15815 CH$LINK: KEGG C06343 CH$LINK: NIKKAJI J7.017C -CH$LINK: PUBCHEM SID:8579 +CH$LINK: PUBCHEM CID:69141 CH$LINK: INCHIKEY PMZDQRJGMBOQBF-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID50209980 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO003168.txt b/Keio_Univ/MSBNK-Keio_Univ-KO003168.txt index 32705e6c96d..a5074683397 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO003168.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO003168.txt @@ -15,7 +15,7 @@ CH$LINK: CAS 611-36-9 CH$LINK: CHEBI CHEBI:15815 CH$LINK: KEGG C06343 CH$LINK: NIKKAJI J7.017C -CH$LINK: PUBCHEM SID:8579 +CH$LINK: PUBCHEM CID:69141 CH$LINK: INCHIKEY PMZDQRJGMBOQBF-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID50209980 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO003169.txt b/Keio_Univ/MSBNK-Keio_Univ-KO003169.txt index 3bf8f679380..00e7545ad7d 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO003169.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO003169.txt @@ -15,7 +15,7 @@ CH$LINK: CAS 611-36-9 CH$LINK: CHEBI CHEBI:15815 CH$LINK: KEGG C06343 CH$LINK: NIKKAJI J7.017C -CH$LINK: PUBCHEM SID:8579 +CH$LINK: PUBCHEM CID:69141 CH$LINK: INCHIKEY PMZDQRJGMBOQBF-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID50209980 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO003170.txt b/Keio_Univ/MSBNK-Keio_Univ-KO003170.txt index 5caaf244d27..f00c61a2ac1 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO003170.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO003170.txt @@ -15,7 +15,7 @@ CH$LINK: CAS 611-36-9 CH$LINK: CHEBI CHEBI:15815 CH$LINK: KEGG C06343 CH$LINK: NIKKAJI J7.017C -CH$LINK: PUBCHEM SID:8579 +CH$LINK: PUBCHEM CID:69141 CH$LINK: INCHIKEY PMZDQRJGMBOQBF-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID50209980 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO003171.txt b/Keio_Univ/MSBNK-Keio_Univ-KO003171.txt index 0e3c3405112..bb7aec3a304 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO003171.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO003171.txt @@ -15,7 +15,7 @@ CH$LINK: CAS 611-36-9 CH$LINK: CHEBI CHEBI:15815 CH$LINK: KEGG C06343 CH$LINK: NIKKAJI J7.017C -CH$LINK: PUBCHEM SID:8579 +CH$LINK: PUBCHEM CID:69141 CH$LINK: INCHIKEY PMZDQRJGMBOQBF-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID50209980 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO003172.txt b/Keio_Univ/MSBNK-Keio_Univ-KO003172.txt index 4696d6a7156..c4c87d5c008 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO003172.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO003172.txt @@ -17,7 +17,7 @@ CH$LINK: CHEBI CHEBI:17191 CH$LINK: CHEMPDB ILE CH$LINK: KEGG C00407 CH$LINK: NIKKAJI J2.818E -CH$LINK: PUBCHEM SID:3697 +CH$LINK: PUBCHEM CID:6306 CH$LINK: INCHIKEY AGPKZVBTJJNPAG-WHFBIAKZSA-N CH$LINK: COMPTOX DTXSID1047441 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO003173.txt b/Keio_Univ/MSBNK-Keio_Univ-KO003173.txt index 754cf6ec5c3..f12a4f264db 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO003173.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO003173.txt @@ -17,7 +17,7 @@ CH$LINK: CHEBI CHEBI:17191 CH$LINK: CHEMPDB ILE CH$LINK: KEGG C00407 CH$LINK: NIKKAJI J2.818E -CH$LINK: PUBCHEM SID:3697 +CH$LINK: PUBCHEM CID:6306 CH$LINK: INCHIKEY AGPKZVBTJJNPAG-WHFBIAKZSA-N CH$LINK: COMPTOX DTXSID1047441 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO003174.txt b/Keio_Univ/MSBNK-Keio_Univ-KO003174.txt index 701897ac30c..f67354123dc 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO003174.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO003174.txt @@ -17,7 +17,7 @@ CH$LINK: CHEBI CHEBI:17191 CH$LINK: CHEMPDB ILE CH$LINK: KEGG C00407 CH$LINK: NIKKAJI J2.818E -CH$LINK: PUBCHEM SID:3697 +CH$LINK: PUBCHEM CID:6306 CH$LINK: INCHIKEY AGPKZVBTJJNPAG-WHFBIAKZSA-N CH$LINK: COMPTOX DTXSID1047441 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO003175.txt b/Keio_Univ/MSBNK-Keio_Univ-KO003175.txt index 993ee3266a2..f983d31edcb 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO003175.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO003175.txt @@ -17,7 +17,7 @@ CH$LINK: CHEBI CHEBI:17191 CH$LINK: CHEMPDB ILE CH$LINK: KEGG C00407 CH$LINK: NIKKAJI J2.818E -CH$LINK: PUBCHEM SID:3697 +CH$LINK: PUBCHEM CID:6306 CH$LINK: INCHIKEY AGPKZVBTJJNPAG-WHFBIAKZSA-N CH$LINK: COMPTOX DTXSID1047441 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO003176.txt b/Keio_Univ/MSBNK-Keio_Univ-KO003176.txt index 97eefe265ab..2e715025226 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO003176.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO003176.txt @@ -17,7 +17,7 @@ CH$LINK: CHEBI CHEBI:17191 CH$LINK: CHEMPDB ILE CH$LINK: KEGG C00407 CH$LINK: NIKKAJI J2.818E -CH$LINK: PUBCHEM SID:3697 +CH$LINK: PUBCHEM CID:6306 CH$LINK: INCHIKEY AGPKZVBTJJNPAG-WHFBIAKZSA-N CH$LINK: COMPTOX DTXSID1047441 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO003177.txt b/Keio_Univ/MSBNK-Keio_Univ-KO003177.txt index 4e798853eee..a2c61949ff3 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO003177.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO003177.txt @@ -16,7 +16,7 @@ CH$LINK: CAS 2799-16-8 CH$LINK: CHEBI CHEBI:15675 CH$LINK: KEGG C03194 CH$LINK: NIKKAJI J9.255J -CH$LINK: PUBCHEM SID:6071 +CH$LINK: PUBCHEM CID:439938 CH$LINK: INCHIKEY HXKKHQJGJAFBHI-GSVOUGTGSA-N AC$INSTRUMENT: API3000, Applied Biosystems AC$INSTRUMENT_TYPE: LC-ESI-QQ diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO003178.txt b/Keio_Univ/MSBNK-Keio_Univ-KO003178.txt index f3f7c2315c4..2eece90401c 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO003178.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO003178.txt @@ -16,7 +16,7 @@ CH$LINK: CAS 2799-16-8 CH$LINK: CHEBI CHEBI:15675 CH$LINK: KEGG C03194 CH$LINK: NIKKAJI J9.255J -CH$LINK: PUBCHEM SID:6071 +CH$LINK: PUBCHEM CID:439938 CH$LINK: INCHIKEY HXKKHQJGJAFBHI-GSVOUGTGSA-N AC$INSTRUMENT: API3000, Applied Biosystems AC$INSTRUMENT_TYPE: LC-ESI-QQ diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO003179.txt b/Keio_Univ/MSBNK-Keio_Univ-KO003179.txt index d94229e319c..1396c5c3968 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO003179.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO003179.txt @@ -16,7 +16,7 @@ CH$LINK: CAS 2799-16-8 CH$LINK: CHEBI CHEBI:15675 CH$LINK: KEGG C03194 CH$LINK: NIKKAJI J9.255J -CH$LINK: PUBCHEM SID:6071 +CH$LINK: PUBCHEM CID:439938 CH$LINK: INCHIKEY HXKKHQJGJAFBHI-GSVOUGTGSA-N AC$INSTRUMENT: API3000, Applied Biosystems AC$INSTRUMENT_TYPE: LC-ESI-QQ diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO003180.txt b/Keio_Univ/MSBNK-Keio_Univ-KO003180.txt index 029b2d16051..7e22c6c6fe8 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO003180.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO003180.txt @@ -16,7 +16,7 @@ CH$LINK: CAS 2799-16-8 CH$LINK: CHEBI CHEBI:15675 CH$LINK: KEGG C03194 CH$LINK: NIKKAJI J9.255J -CH$LINK: PUBCHEM SID:6071 +CH$LINK: PUBCHEM CID:439938 CH$LINK: INCHIKEY HXKKHQJGJAFBHI-GSVOUGTGSA-N AC$INSTRUMENT: API3000, Applied Biosystems AC$INSTRUMENT_TYPE: LC-ESI-QQ diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO003181.txt b/Keio_Univ/MSBNK-Keio_Univ-KO003181.txt index e43a28ccc8b..354807fff11 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO003181.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO003181.txt @@ -16,7 +16,7 @@ CH$LINK: CAS 2799-16-8 CH$LINK: CHEBI CHEBI:15675 CH$LINK: KEGG C03194 CH$LINK: NIKKAJI J9.255J -CH$LINK: PUBCHEM SID:6071 +CH$LINK: PUBCHEM CID:439938 CH$LINK: INCHIKEY HXKKHQJGJAFBHI-GSVOUGTGSA-N AC$INSTRUMENT: API3000, Applied Biosystems AC$INSTRUMENT_TYPE: LC-ESI-QQ diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO003182.txt b/Keio_Univ/MSBNK-Keio_Univ-KO003182.txt index 14b4a01308a..403a402c222 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO003182.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO003182.txt @@ -15,7 +15,7 @@ CH$IUPAC: InChI=1S/C5H6N2O2/c8-5(9)1-4-2-6-3-7-4/h2-3H,1H2,(H,6,7)(H,8,9) CH$LINK: CAS 645-65-8 CH$LINK: CHEBI CHEBI:16974 CH$LINK: KEGG C02835 -CH$LINK: PUBCHEM SID:5778 +CH$LINK: PUBCHEM CID:96215 CH$LINK: INCHIKEY PRJKNHOMHKJCEJ-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID50214751 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO003183.txt b/Keio_Univ/MSBNK-Keio_Univ-KO003183.txt index 61528fc4b6e..326310e803a 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO003183.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO003183.txt @@ -15,7 +15,7 @@ CH$IUPAC: InChI=1S/C5H6N2O2/c8-5(9)1-4-2-6-3-7-4/h2-3H,1H2,(H,6,7)(H,8,9) CH$LINK: CAS 645-65-8 CH$LINK: CHEBI CHEBI:16974 CH$LINK: KEGG C02835 -CH$LINK: PUBCHEM SID:5778 +CH$LINK: PUBCHEM CID:96215 CH$LINK: INCHIKEY PRJKNHOMHKJCEJ-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID50214751 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO003184.txt b/Keio_Univ/MSBNK-Keio_Univ-KO003184.txt index eda6f665123..767f3d0d369 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO003184.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO003184.txt @@ -15,7 +15,7 @@ CH$IUPAC: InChI=1S/C5H6N2O2/c8-5(9)1-4-2-6-3-7-4/h2-3H,1H2,(H,6,7)(H,8,9) CH$LINK: CAS 645-65-8 CH$LINK: CHEBI CHEBI:16974 CH$LINK: KEGG C02835 -CH$LINK: PUBCHEM SID:5778 +CH$LINK: PUBCHEM CID:96215 CH$LINK: INCHIKEY PRJKNHOMHKJCEJ-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID50214751 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO003185.txt b/Keio_Univ/MSBNK-Keio_Univ-KO003185.txt index 2c9ceb4ec66..fbf45225b94 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO003185.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO003185.txt @@ -15,7 +15,7 @@ CH$IUPAC: InChI=1S/C5H6N2O2/c8-5(9)1-4-2-6-3-7-4/h2-3H,1H2,(H,6,7)(H,8,9) CH$LINK: CAS 645-65-8 CH$LINK: CHEBI CHEBI:16974 CH$LINK: KEGG C02835 -CH$LINK: PUBCHEM SID:5778 +CH$LINK: PUBCHEM CID:96215 CH$LINK: INCHIKEY PRJKNHOMHKJCEJ-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID50214751 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO003186.txt b/Keio_Univ/MSBNK-Keio_Univ-KO003186.txt index 11325dcc60b..225ddd31e09 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO003186.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO003186.txt @@ -15,7 +15,7 @@ CH$IUPAC: InChI=1S/C5H6N2O2/c8-5(9)1-4-2-6-3-7-4/h2-3H,1H2,(H,6,7)(H,8,9) CH$LINK: CAS 645-65-8 CH$LINK: CHEBI CHEBI:16974 CH$LINK: KEGG C02835 -CH$LINK: PUBCHEM SID:5778 +CH$LINK: PUBCHEM CID:96215 CH$LINK: INCHIKEY PRJKNHOMHKJCEJ-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID50214751 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO003192.txt b/Keio_Univ/MSBNK-Keio_Univ-KO003192.txt index a4c386e4f26..b93de6e2b32 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO003192.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO003192.txt @@ -15,7 +15,7 @@ CH$LINK: CAS 55-22-1 CH$LINK: CHEBI CHEBI:6032 CH$LINK: KEGG C07446 CH$LINK: NIKKAJI J4.559D -CH$LINK: PUBCHEM SID:9649 +CH$LINK: PUBCHEM CID:5922 CH$LINK: INCHIKEY TWBYWOBDOCUKOW-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID8020757 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO003193.txt b/Keio_Univ/MSBNK-Keio_Univ-KO003193.txt index a4e68e4fb20..77217083de0 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO003193.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO003193.txt @@ -15,7 +15,7 @@ CH$LINK: CAS 55-22-1 CH$LINK: CHEBI CHEBI:6032 CH$LINK: KEGG C07446 CH$LINK: NIKKAJI J4.559D -CH$LINK: PUBCHEM SID:9649 +CH$LINK: PUBCHEM CID:5922 CH$LINK: INCHIKEY TWBYWOBDOCUKOW-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID8020757 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO003194.txt b/Keio_Univ/MSBNK-Keio_Univ-KO003194.txt index 14675475618..561bc2ed7f6 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO003194.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO003194.txt @@ -15,7 +15,7 @@ CH$LINK: CAS 55-22-1 CH$LINK: CHEBI CHEBI:6032 CH$LINK: KEGG C07446 CH$LINK: NIKKAJI J4.559D -CH$LINK: PUBCHEM SID:9649 +CH$LINK: PUBCHEM CID:5922 CH$LINK: INCHIKEY TWBYWOBDOCUKOW-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID8020757 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO003195.txt b/Keio_Univ/MSBNK-Keio_Univ-KO003195.txt index ebf6176d8a1..9a6d1269ee9 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO003195.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO003195.txt @@ -15,7 +15,7 @@ CH$LINK: CAS 55-22-1 CH$LINK: CHEBI CHEBI:6032 CH$LINK: KEGG C07446 CH$LINK: NIKKAJI J4.559D -CH$LINK: PUBCHEM SID:9649 +CH$LINK: PUBCHEM CID:5922 CH$LINK: INCHIKEY TWBYWOBDOCUKOW-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID8020757 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO003196.txt b/Keio_Univ/MSBNK-Keio_Univ-KO003196.txt index 86b7f877196..53ed793df92 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO003196.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO003196.txt @@ -15,7 +15,7 @@ CH$LINK: CAS 55-22-1 CH$LINK: CHEBI CHEBI:6032 CH$LINK: KEGG C07446 CH$LINK: NIKKAJI J4.559D -CH$LINK: PUBCHEM SID:9649 +CH$LINK: PUBCHEM CID:5922 CH$LINK: INCHIKEY TWBYWOBDOCUKOW-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID8020757 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO003197.txt b/Keio_Univ/MSBNK-Keio_Univ-KO003197.txt index 718ab948235..91eab9f28c7 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO003197.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO003197.txt @@ -15,7 +15,7 @@ CH$LINK: CHEBI CHEBI:27539 CH$LINK: CHEMPDB ISN CH$LINK: KEGG C11129 CH$LINK: NIKKAJI J4.342G -CH$LINK: PUBCHEM SID:13311 +CH$LINK: PUBCHEM CID:7054 CH$LINK: INCHIKEY JXDYKVIHCLTXOP-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID3038694 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO003198.txt b/Keio_Univ/MSBNK-Keio_Univ-KO003198.txt index d9779514eed..14decf5817b 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO003198.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO003198.txt @@ -15,7 +15,7 @@ CH$LINK: CHEBI CHEBI:27539 CH$LINK: CHEMPDB ISN CH$LINK: KEGG C11129 CH$LINK: NIKKAJI J4.342G -CH$LINK: PUBCHEM SID:13311 +CH$LINK: PUBCHEM CID:7054 CH$LINK: INCHIKEY JXDYKVIHCLTXOP-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID3038694 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO003199.txt b/Keio_Univ/MSBNK-Keio_Univ-KO003199.txt index f44058be717..1aa8be201b6 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO003199.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO003199.txt @@ -15,7 +15,7 @@ CH$LINK: CHEBI CHEBI:27539 CH$LINK: CHEMPDB ISN CH$LINK: KEGG C11129 CH$LINK: NIKKAJI J4.342G -CH$LINK: PUBCHEM SID:13311 +CH$LINK: PUBCHEM CID:7054 CH$LINK: INCHIKEY JXDYKVIHCLTXOP-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID3038694 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO003200.txt b/Keio_Univ/MSBNK-Keio_Univ-KO003200.txt index e39cc42a301..7eae7c63785 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO003200.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO003200.txt @@ -15,7 +15,7 @@ CH$LINK: CHEBI CHEBI:27539 CH$LINK: CHEMPDB ISN CH$LINK: KEGG C11129 CH$LINK: NIKKAJI J4.342G -CH$LINK: PUBCHEM SID:13311 +CH$LINK: PUBCHEM CID:7054 CH$LINK: INCHIKEY JXDYKVIHCLTXOP-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID3038694 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO003201.txt b/Keio_Univ/MSBNK-Keio_Univ-KO003201.txt index c26e492b012..b8ed32e8ebc 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO003201.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO003201.txt @@ -15,7 +15,7 @@ CH$LINK: CHEBI CHEBI:27539 CH$LINK: CHEMPDB ISN CH$LINK: KEGG C11129 CH$LINK: NIKKAJI J4.342G -CH$LINK: PUBCHEM SID:13311 +CH$LINK: PUBCHEM CID:7054 CH$LINK: INCHIKEY JXDYKVIHCLTXOP-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID3038694 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO003202.txt b/Keio_Univ/MSBNK-Keio_Univ-KO003202.txt index 883f9a4f85a..4e90c8efbb4 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO003202.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO003202.txt @@ -17,7 +17,7 @@ CH$LINK: CAS 771-51-7 CH$LINK: CHEBI CHEBI:17566 CH$LINK: KEGG C02938 CH$LINK: NIKKAJI J1.733G -CH$LINK: PUBCHEM SID:5857 +CH$LINK: PUBCHEM CID:351795 CH$LINK: INCHIKEY DMCPFOBLJMLSNX-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID5061118 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO003203.txt b/Keio_Univ/MSBNK-Keio_Univ-KO003203.txt index 266bd35ee69..86c6398d92c 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO003203.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO003203.txt @@ -17,7 +17,7 @@ CH$LINK: CAS 771-51-7 CH$LINK: CHEBI CHEBI:17566 CH$LINK: KEGG C02938 CH$LINK: NIKKAJI J1.733G -CH$LINK: PUBCHEM SID:5857 +CH$LINK: PUBCHEM CID:351795 CH$LINK: INCHIKEY DMCPFOBLJMLSNX-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID5061118 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO003204.txt b/Keio_Univ/MSBNK-Keio_Univ-KO003204.txt index fa65ffa141c..4060bed46ee 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO003204.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO003204.txt @@ -17,7 +17,7 @@ CH$LINK: CAS 771-51-7 CH$LINK: CHEBI CHEBI:17566 CH$LINK: KEGG C02938 CH$LINK: NIKKAJI J1.733G -CH$LINK: PUBCHEM SID:5857 +CH$LINK: PUBCHEM CID:351795 CH$LINK: INCHIKEY DMCPFOBLJMLSNX-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID5061118 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO003205.txt b/Keio_Univ/MSBNK-Keio_Univ-KO003205.txt index c2c75250657..25736070f3c 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO003205.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO003205.txt @@ -17,7 +17,7 @@ CH$LINK: CAS 771-51-7 CH$LINK: CHEBI CHEBI:17566 CH$LINK: KEGG C02938 CH$LINK: NIKKAJI J1.733G -CH$LINK: PUBCHEM SID:5857 +CH$LINK: PUBCHEM CID:351795 CH$LINK: INCHIKEY DMCPFOBLJMLSNX-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID5061118 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO003206.txt b/Keio_Univ/MSBNK-Keio_Univ-KO003206.txt index 0aec9df3448..650dc81c93b 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO003206.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO003206.txt @@ -17,7 +17,7 @@ CH$LINK: CAS 771-51-7 CH$LINK: CHEBI CHEBI:17566 CH$LINK: KEGG C02938 CH$LINK: NIKKAJI J1.733G -CH$LINK: PUBCHEM SID:5857 +CH$LINK: PUBCHEM CID:351795 CH$LINK: INCHIKEY DMCPFOBLJMLSNX-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID5061118 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO003207.txt b/Keio_Univ/MSBNK-Keio_Univ-KO003207.txt index 7592fbc5ce9..a72c25b20dd 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO003207.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO003207.txt @@ -17,7 +17,7 @@ CH$LINK: CHEBI CHEBI:33070 CH$LINK: CHEMPDB 3IB CH$LINK: KEGG C11284 CH$LINK: NIKKAJI J2.525I -CH$LINK: PUBCHEM SID:13461 +CH$LINK: PUBCHEM CID:8617 CH$LINK: INCHIKEY JTEDVYBZBROSJT-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID8032623 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO003208.txt b/Keio_Univ/MSBNK-Keio_Univ-KO003208.txt index 10ec83a1d20..f275ba0c47e 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO003208.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO003208.txt @@ -17,7 +17,7 @@ CH$LINK: CHEBI CHEBI:33070 CH$LINK: CHEMPDB 3IB CH$LINK: KEGG C11284 CH$LINK: NIKKAJI J2.525I -CH$LINK: PUBCHEM SID:13461 +CH$LINK: PUBCHEM CID:8617 CH$LINK: INCHIKEY JTEDVYBZBROSJT-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID8032623 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO003209.txt b/Keio_Univ/MSBNK-Keio_Univ-KO003209.txt index e0f0e8c0f1c..d78d6c7c874 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO003209.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO003209.txt @@ -17,7 +17,7 @@ CH$LINK: CHEBI CHEBI:33070 CH$LINK: CHEMPDB 3IB CH$LINK: KEGG C11284 CH$LINK: NIKKAJI J2.525I -CH$LINK: PUBCHEM SID:13461 +CH$LINK: PUBCHEM CID:8617 CH$LINK: INCHIKEY JTEDVYBZBROSJT-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID8032623 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO003210.txt b/Keio_Univ/MSBNK-Keio_Univ-KO003210.txt index a240823de39..4e6cf4e4e20 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO003210.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO003210.txt @@ -17,7 +17,7 @@ CH$LINK: CHEBI CHEBI:33070 CH$LINK: CHEMPDB 3IB CH$LINK: KEGG C11284 CH$LINK: NIKKAJI J2.525I -CH$LINK: PUBCHEM SID:13461 +CH$LINK: PUBCHEM CID:8617 CH$LINK: INCHIKEY JTEDVYBZBROSJT-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID8032623 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO003211.txt b/Keio_Univ/MSBNK-Keio_Univ-KO003211.txt index 3c2fbf9bdde..e82f2e9e669 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO003211.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO003211.txt @@ -17,7 +17,7 @@ CH$LINK: CHEBI CHEBI:33070 CH$LINK: CHEMPDB 3IB CH$LINK: KEGG C11284 CH$LINK: NIKKAJI J2.525I -CH$LINK: PUBCHEM SID:13461 +CH$LINK: PUBCHEM CID:8617 CH$LINK: INCHIKEY JTEDVYBZBROSJT-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID8032623 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO003212.txt b/Keio_Univ/MSBNK-Keio_Univ-KO003212.txt index d34eca324aa..61fa9d8cedf 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO003212.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO003212.txt @@ -17,7 +17,7 @@ CH$LINK: CAS 87-51-4 CH$LINK: CHEBI CHEBI:16411 CH$LINK: KEGG C00954 CH$LINK: NIKKAJI J5.156J -CH$LINK: PUBCHEM SID:4205 +CH$LINK: PUBCHEM CID:802 CH$LINK: INCHIKEY SEOVTRFCIGRIMH-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID5020738 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO003213.txt b/Keio_Univ/MSBNK-Keio_Univ-KO003213.txt index b49aaebff49..947de5396fb 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO003213.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO003213.txt @@ -17,7 +17,7 @@ CH$LINK: CAS 87-51-4 CH$LINK: CHEBI CHEBI:16411 CH$LINK: KEGG C00954 CH$LINK: NIKKAJI J5.156J -CH$LINK: PUBCHEM SID:4205 +CH$LINK: PUBCHEM CID:802 CH$LINK: INCHIKEY SEOVTRFCIGRIMH-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID5020738 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO003214.txt b/Keio_Univ/MSBNK-Keio_Univ-KO003214.txt index b026e0f0c53..8354dc2d975 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO003214.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO003214.txt @@ -17,7 +17,7 @@ CH$LINK: CAS 87-51-4 CH$LINK: CHEBI CHEBI:16411 CH$LINK: KEGG C00954 CH$LINK: NIKKAJI J5.156J -CH$LINK: PUBCHEM SID:4205 +CH$LINK: PUBCHEM CID:802 CH$LINK: INCHIKEY SEOVTRFCIGRIMH-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID5020738 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO003215.txt b/Keio_Univ/MSBNK-Keio_Univ-KO003215.txt index 89cda5086ce..7fee28de8d7 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO003215.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO003215.txt @@ -17,7 +17,7 @@ CH$LINK: CAS 87-51-4 CH$LINK: CHEBI CHEBI:16411 CH$LINK: KEGG C00954 CH$LINK: NIKKAJI J5.156J -CH$LINK: PUBCHEM SID:4205 +CH$LINK: PUBCHEM CID:802 CH$LINK: INCHIKEY SEOVTRFCIGRIMH-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID5020738 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO003216.txt b/Keio_Univ/MSBNK-Keio_Univ-KO003216.txt index b73f59807d7..2abad8bd6d5 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO003216.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO003216.txt @@ -17,7 +17,7 @@ CH$LINK: CAS 87-51-4 CH$LINK: CHEBI CHEBI:16411 CH$LINK: KEGG C00954 CH$LINK: NIKKAJI J5.156J -CH$LINK: PUBCHEM SID:4205 +CH$LINK: PUBCHEM CID:802 CH$LINK: INCHIKEY SEOVTRFCIGRIMH-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID5020738 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO003217.txt b/Keio_Univ/MSBNK-Keio_Univ-KO003217.txt index 5c19ac9e8e7..fce1b93d6be 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO003217.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO003217.txt @@ -15,7 +15,7 @@ CH$IUPAC: InChI=1S/C5H13N/c1-5(2)3-4-6/h5H,3-4,6H2,1-2H3 CH$LINK: CAS 107-85-7 CH$LINK: KEGG C02640 CH$LINK: NIKKAJI J95.661I -CH$LINK: PUBCHEM SID:5620 +CH$LINK: PUBCHEM CID:7894 CH$LINK: INCHIKEY BMFVGAAISNGQNM-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID7059355 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO003218.txt b/Keio_Univ/MSBNK-Keio_Univ-KO003218.txt index 4c411155b0f..ccd504e4f88 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO003218.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO003218.txt @@ -15,7 +15,7 @@ CH$IUPAC: InChI=1S/C5H13N/c1-5(2)3-4-6/h5H,3-4,6H2,1-2H3 CH$LINK: CAS 107-85-7 CH$LINK: KEGG C02640 CH$LINK: NIKKAJI J95.661I -CH$LINK: PUBCHEM SID:5620 +CH$LINK: PUBCHEM CID:7894 CH$LINK: INCHIKEY BMFVGAAISNGQNM-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID7059355 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO003219.txt b/Keio_Univ/MSBNK-Keio_Univ-KO003219.txt index f72af23a75e..59499bb7d76 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO003219.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO003219.txt @@ -15,7 +15,7 @@ CH$IUPAC: InChI=1S/C5H13N/c1-5(2)3-4-6/h5H,3-4,6H2,1-2H3 CH$LINK: CAS 107-85-7 CH$LINK: KEGG C02640 CH$LINK: NIKKAJI J95.661I -CH$LINK: PUBCHEM SID:5620 +CH$LINK: PUBCHEM CID:7894 CH$LINK: INCHIKEY BMFVGAAISNGQNM-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID7059355 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO003220.txt b/Keio_Univ/MSBNK-Keio_Univ-KO003220.txt index 0e32f33d876..b6c2182d7b8 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO003220.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO003220.txt @@ -15,7 +15,7 @@ CH$IUPAC: InChI=1S/C5H13N/c1-5(2)3-4-6/h5H,3-4,6H2,1-2H3 CH$LINK: CAS 107-85-7 CH$LINK: KEGG C02640 CH$LINK: NIKKAJI J95.661I -CH$LINK: PUBCHEM SID:5620 +CH$LINK: PUBCHEM CID:7894 CH$LINK: INCHIKEY BMFVGAAISNGQNM-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID7059355 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO003221.txt b/Keio_Univ/MSBNK-Keio_Univ-KO003221.txt index aa0a97821e7..f10f452aab3 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO003221.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO003221.txt @@ -15,7 +15,7 @@ CH$IUPAC: InChI=1S/C5H13N/c1-5(2)3-4-6/h5H,3-4,6H2,1-2H3 CH$LINK: CAS 107-85-7 CH$LINK: KEGG C02640 CH$LINK: NIKKAJI J95.661I -CH$LINK: PUBCHEM SID:5620 +CH$LINK: PUBCHEM CID:7894 CH$LINK: INCHIKEY BMFVGAAISNGQNM-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID7059355 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO003222.txt b/Keio_Univ/MSBNK-Keio_Univ-KO003222.txt index 7e64fe723b6..ea1aee90547 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO003222.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO003222.txt @@ -17,7 +17,7 @@ CH$LINK: CHEBI CHEBI:16069 CH$LINK: CHEMPDB IMD CH$LINK: KEGG C01589 CH$LINK: NIKKAJI J2.566F -CH$LINK: PUBCHEM SID:4744 +CH$LINK: PUBCHEM CID:795 CH$LINK: INCHIKEY RAXXELZNTBOGNW-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID2029616 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO003223.txt b/Keio_Univ/MSBNK-Keio_Univ-KO003223.txt index 12a8c1ccbba..6bfa2db3ef6 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO003223.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO003223.txt @@ -17,7 +17,7 @@ CH$LINK: CHEBI CHEBI:16069 CH$LINK: CHEMPDB IMD CH$LINK: KEGG C01589 CH$LINK: NIKKAJI J2.566F -CH$LINK: PUBCHEM SID:4744 +CH$LINK: PUBCHEM CID:795 CH$LINK: INCHIKEY RAXXELZNTBOGNW-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID2029616 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO003224.txt b/Keio_Univ/MSBNK-Keio_Univ-KO003224.txt index 53851c3068f..af8bd361f28 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO003224.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO003224.txt @@ -17,7 +17,7 @@ CH$LINK: CHEBI CHEBI:16069 CH$LINK: CHEMPDB IMD CH$LINK: KEGG C01589 CH$LINK: NIKKAJI J2.566F -CH$LINK: PUBCHEM SID:4744 +CH$LINK: PUBCHEM CID:795 CH$LINK: INCHIKEY RAXXELZNTBOGNW-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID2029616 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO003225.txt b/Keio_Univ/MSBNK-Keio_Univ-KO003225.txt index f82439bfde8..2b4279ddd80 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO003225.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO003225.txt @@ -17,7 +17,7 @@ CH$LINK: CHEBI CHEBI:16069 CH$LINK: CHEMPDB IMD CH$LINK: KEGG C01589 CH$LINK: NIKKAJI J2.566F -CH$LINK: PUBCHEM SID:4744 +CH$LINK: PUBCHEM CID:795 CH$LINK: INCHIKEY RAXXELZNTBOGNW-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID2029616 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO003226.txt b/Keio_Univ/MSBNK-Keio_Univ-KO003226.txt index 69318971125..4aa1a669108 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO003226.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO003226.txt @@ -17,7 +17,7 @@ CH$LINK: CHEBI CHEBI:16069 CH$LINK: CHEMPDB IMD CH$LINK: KEGG C01589 CH$LINK: NIKKAJI J2.566F -CH$LINK: PUBCHEM SID:4744 +CH$LINK: PUBCHEM CID:795 CH$LINK: INCHIKEY RAXXELZNTBOGNW-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID2029616 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO003227.txt b/Keio_Univ/MSBNK-Keio_Univ-KO003227.txt index 2a3bb050c47..796bc95bbcb 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO003227.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO003227.txt @@ -16,7 +16,7 @@ CH$LINK: CHEBI CHEBI:27847 CH$LINK: CHEMPDB IYR CH$LINK: KEGG C02515 CH$LINK: NIKKAJI J4.880A -CH$LINK: PUBCHEM SID:5525 +CH$LINK: PUBCHEM CID:439744 CH$LINK: INCHIKEY UQTZMGFTRHFAAM-ZETCQYMHSA-N CH$LINK: COMPTOX DTXSID1075353 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO003228.txt b/Keio_Univ/MSBNK-Keio_Univ-KO003228.txt index ae425e5f8b4..93005a2ac00 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO003228.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO003228.txt @@ -16,7 +16,7 @@ CH$LINK: CHEBI CHEBI:27847 CH$LINK: CHEMPDB IYR CH$LINK: KEGG C02515 CH$LINK: NIKKAJI J4.880A -CH$LINK: PUBCHEM SID:5525 +CH$LINK: PUBCHEM CID:439744 CH$LINK: INCHIKEY UQTZMGFTRHFAAM-ZETCQYMHSA-N CH$LINK: COMPTOX DTXSID1075353 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO003229.txt b/Keio_Univ/MSBNK-Keio_Univ-KO003229.txt index 3760ed25469..2f444fe123f 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO003229.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO003229.txt @@ -16,7 +16,7 @@ CH$LINK: CHEBI CHEBI:27847 CH$LINK: CHEMPDB IYR CH$LINK: KEGG C02515 CH$LINK: NIKKAJI J4.880A -CH$LINK: PUBCHEM SID:5525 +CH$LINK: PUBCHEM CID:439744 CH$LINK: INCHIKEY UQTZMGFTRHFAAM-ZETCQYMHSA-N CH$LINK: COMPTOX DTXSID1075353 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO003230.txt b/Keio_Univ/MSBNK-Keio_Univ-KO003230.txt index 3043c5efad1..78415382544 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO003230.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO003230.txt @@ -16,7 +16,7 @@ CH$LINK: CHEBI CHEBI:27847 CH$LINK: CHEMPDB IYR CH$LINK: KEGG C02515 CH$LINK: NIKKAJI J4.880A -CH$LINK: PUBCHEM SID:5525 +CH$LINK: PUBCHEM CID:439744 CH$LINK: INCHIKEY UQTZMGFTRHFAAM-ZETCQYMHSA-N CH$LINK: COMPTOX DTXSID1075353 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO003231.txt b/Keio_Univ/MSBNK-Keio_Univ-KO003231.txt index c846a2b609c..aa0c820b397 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO003231.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO003231.txt @@ -16,7 +16,7 @@ CH$LINK: CHEBI CHEBI:27847 CH$LINK: CHEMPDB IYR CH$LINK: KEGG C02515 CH$LINK: NIKKAJI J4.880A -CH$LINK: PUBCHEM SID:5525 +CH$LINK: PUBCHEM CID:439744 CH$LINK: INCHIKEY UQTZMGFTRHFAAM-ZETCQYMHSA-N CH$LINK: COMPTOX DTXSID1075353 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO003232.txt b/Keio_Univ/MSBNK-Keio_Univ-KO003232.txt index 80a2b587d1d..dc82919f14a 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO003232.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO003232.txt @@ -15,7 +15,7 @@ CH$LINK: CAS 1453-82-3 CH$LINK: CHEBI CHEBI:6031 CH$LINK: KEGG C02421 CH$LINK: NIKKAJI J68.789H -CH$LINK: PUBCHEM SID:5452 +CH$LINK: PUBCHEM CID:15074 CH$LINK: INCHIKEY VFQXVTODMYMSMJ-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID3020756 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO003233.txt b/Keio_Univ/MSBNK-Keio_Univ-KO003233.txt index de0289fa583..4fe132805d6 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO003233.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO003233.txt @@ -15,7 +15,7 @@ CH$LINK: CAS 1453-82-3 CH$LINK: CHEBI CHEBI:6031 CH$LINK: KEGG C02421 CH$LINK: NIKKAJI J68.789H -CH$LINK: PUBCHEM SID:5452 +CH$LINK: PUBCHEM CID:15074 CH$LINK: INCHIKEY VFQXVTODMYMSMJ-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID3020756 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO003234.txt b/Keio_Univ/MSBNK-Keio_Univ-KO003234.txt index 346da9e512b..cbc828461d1 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO003234.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO003234.txt @@ -15,7 +15,7 @@ CH$LINK: CAS 1453-82-3 CH$LINK: CHEBI CHEBI:6031 CH$LINK: KEGG C02421 CH$LINK: NIKKAJI J68.789H -CH$LINK: PUBCHEM SID:5452 +CH$LINK: PUBCHEM CID:15074 CH$LINK: INCHIKEY VFQXVTODMYMSMJ-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID3020756 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO003235.txt b/Keio_Univ/MSBNK-Keio_Univ-KO003235.txt index 576d07f8980..a4d6726def1 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO003235.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO003235.txt @@ -15,7 +15,7 @@ CH$LINK: CAS 1453-82-3 CH$LINK: CHEBI CHEBI:6031 CH$LINK: KEGG C02421 CH$LINK: NIKKAJI J68.789H -CH$LINK: PUBCHEM SID:5452 +CH$LINK: PUBCHEM CID:15074 CH$LINK: INCHIKEY VFQXVTODMYMSMJ-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID3020756 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO003236.txt b/Keio_Univ/MSBNK-Keio_Univ-KO003236.txt index 790256fee10..b13793f05e8 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO003236.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO003236.txt @@ -15,7 +15,7 @@ CH$LINK: CAS 1453-82-3 CH$LINK: CHEBI CHEBI:6031 CH$LINK: KEGG C02421 CH$LINK: NIKKAJI J68.789H -CH$LINK: PUBCHEM SID:5452 +CH$LINK: PUBCHEM CID:15074 CH$LINK: INCHIKEY VFQXVTODMYMSMJ-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID3020756 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO003242.txt b/Keio_Univ/MSBNK-Keio_Univ-KO003242.txt index 3ba3a00d653..82b81ff7178 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO003242.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO003242.txt @@ -14,7 +14,7 @@ CH$IUPAC: InChI=1S/C10H22N4/c11-10(12)13-6-9-14-7-4-2-1-3-5-8-14/h1-9H2,(H4,11,1 CH$LINK: CAS 55-65-2 CH$LINK: KEGG C07036 CH$LINK: NIKKAJI J4.562D -CH$LINK: PUBCHEM SID:9248 +CH$LINK: PUBCHEM CID:3518 CH$LINK: INCHIKEY ACGDKVXYNVEAGU-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID5023116 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO003243.txt b/Keio_Univ/MSBNK-Keio_Univ-KO003243.txt index aa81126fc8e..39f9bc1cf67 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO003243.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO003243.txt @@ -14,7 +14,7 @@ CH$IUPAC: InChI=1S/C10H22N4/c11-10(12)13-6-9-14-7-4-2-1-3-5-8-14/h1-9H2,(H4,11,1 CH$LINK: CAS 55-65-2 CH$LINK: KEGG C07036 CH$LINK: NIKKAJI J4.562D -CH$LINK: PUBCHEM SID:9248 +CH$LINK: PUBCHEM CID:3518 CH$LINK: INCHIKEY ACGDKVXYNVEAGU-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID5023116 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO003244.txt b/Keio_Univ/MSBNK-Keio_Univ-KO003244.txt index ba9ff129328..5ee3a3754c6 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO003244.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO003244.txt @@ -14,7 +14,7 @@ CH$IUPAC: InChI=1S/C10H22N4/c11-10(12)13-6-9-14-7-4-2-1-3-5-8-14/h1-9H2,(H4,11,1 CH$LINK: CAS 55-65-2 CH$LINK: KEGG C07036 CH$LINK: NIKKAJI J4.562D -CH$LINK: PUBCHEM SID:9248 +CH$LINK: PUBCHEM CID:3518 CH$LINK: INCHIKEY ACGDKVXYNVEAGU-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID5023116 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO003245.txt b/Keio_Univ/MSBNK-Keio_Univ-KO003245.txt index cb287a67140..60704e461ca 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO003245.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO003245.txt @@ -14,7 +14,7 @@ CH$IUPAC: InChI=1S/C10H22N4/c11-10(12)13-6-9-14-7-4-2-1-3-5-8-14/h1-9H2,(H4,11,1 CH$LINK: CAS 55-65-2 CH$LINK: KEGG C07036 CH$LINK: NIKKAJI J4.562D -CH$LINK: PUBCHEM SID:9248 +CH$LINK: PUBCHEM CID:3518 CH$LINK: INCHIKEY ACGDKVXYNVEAGU-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID5023116 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO003246.txt b/Keio_Univ/MSBNK-Keio_Univ-KO003246.txt index 2218943774d..658e7b89ee2 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO003246.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO003246.txt @@ -14,7 +14,7 @@ CH$IUPAC: InChI=1S/C10H22N4/c11-10(12)13-6-9-14-7-4-2-1-3-5-8-14/h1-9H2,(H4,11,1 CH$LINK: CAS 55-65-2 CH$LINK: KEGG C07036 CH$LINK: NIKKAJI J4.562D -CH$LINK: PUBCHEM SID:9248 +CH$LINK: PUBCHEM CID:3518 CH$LINK: INCHIKEY ACGDKVXYNVEAGU-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID5023116 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO003247.txt b/Keio_Univ/MSBNK-Keio_Univ-KO003247.txt index d61a11930ae..6c180f50c92 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO003247.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO003247.txt @@ -16,7 +16,7 @@ CH$LINK: CAS 54-85-3 CH$LINK: CHEBI CHEBI:6030 CH$LINK: KEGG C07054 CH$LINK: NIKKAJI J1.371D -CH$LINK: PUBCHEM SID:9266 +CH$LINK: PUBCHEM CID:3767 CH$LINK: INCHIKEY QRXWMOHMRWLFEY-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID8020755 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO003248.txt b/Keio_Univ/MSBNK-Keio_Univ-KO003248.txt index 1f8e97f2666..6532ef47efe 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO003248.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO003248.txt @@ -16,7 +16,7 @@ CH$LINK: CAS 54-85-3 CH$LINK: CHEBI CHEBI:6030 CH$LINK: KEGG C07054 CH$LINK: NIKKAJI J1.371D -CH$LINK: PUBCHEM SID:9266 +CH$LINK: PUBCHEM CID:3767 CH$LINK: INCHIKEY QRXWMOHMRWLFEY-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID8020755 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO003249.txt b/Keio_Univ/MSBNK-Keio_Univ-KO003249.txt index f81ef7671b5..56d59be6e05 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO003249.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO003249.txt @@ -16,7 +16,7 @@ CH$LINK: CAS 54-85-3 CH$LINK: CHEBI CHEBI:6030 CH$LINK: KEGG C07054 CH$LINK: NIKKAJI J1.371D -CH$LINK: PUBCHEM SID:9266 +CH$LINK: PUBCHEM CID:3767 CH$LINK: INCHIKEY QRXWMOHMRWLFEY-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID8020755 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO003250.txt b/Keio_Univ/MSBNK-Keio_Univ-KO003250.txt index 6424b5b0b38..9a9a6df9e91 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO003250.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO003250.txt @@ -16,7 +16,7 @@ CH$LINK: CAS 54-85-3 CH$LINK: CHEBI CHEBI:6030 CH$LINK: KEGG C07054 CH$LINK: NIKKAJI J1.371D -CH$LINK: PUBCHEM SID:9266 +CH$LINK: PUBCHEM CID:3767 CH$LINK: INCHIKEY QRXWMOHMRWLFEY-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID8020755 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO003251.txt b/Keio_Univ/MSBNK-Keio_Univ-KO003251.txt index 82069fcc27a..523bb8f1818 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO003251.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO003251.txt @@ -16,7 +16,7 @@ CH$LINK: CAS 54-85-3 CH$LINK: CHEBI CHEBI:6030 CH$LINK: KEGG C07054 CH$LINK: NIKKAJI J1.371D -CH$LINK: PUBCHEM SID:9266 +CH$LINK: PUBCHEM CID:3767 CH$LINK: INCHIKEY QRXWMOHMRWLFEY-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID8020755 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO003252.txt b/Keio_Univ/MSBNK-Keio_Univ-KO003252.txt index 2e93406eb29..763f4eb6db2 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO003252.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO003252.txt @@ -17,7 +17,7 @@ CH$LINK: CHEBI CHEBI:16092 CH$LINK: CHEMPDB ISQ CH$LINK: KEGG C06323 CH$LINK: NIKKAJI J43.394B -CH$LINK: PUBCHEM SID:8559 +CH$LINK: PUBCHEM CID:8405 CH$LINK: INCHIKEY AWJUIBRHMBBTKR-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID2047644 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO003253.txt b/Keio_Univ/MSBNK-Keio_Univ-KO003253.txt index da077f0469d..a2235d539be 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO003253.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO003253.txt @@ -17,7 +17,7 @@ CH$LINK: CHEBI CHEBI:16092 CH$LINK: CHEMPDB ISQ CH$LINK: KEGG C06323 CH$LINK: NIKKAJI J43.394B -CH$LINK: PUBCHEM SID:8559 +CH$LINK: PUBCHEM CID:8405 CH$LINK: INCHIKEY AWJUIBRHMBBTKR-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID2047644 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO003254.txt b/Keio_Univ/MSBNK-Keio_Univ-KO003254.txt index 8159f20420f..8e4ca0b41c2 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO003254.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO003254.txt @@ -17,7 +17,7 @@ CH$LINK: CHEBI CHEBI:16092 CH$LINK: CHEMPDB ISQ CH$LINK: KEGG C06323 CH$LINK: NIKKAJI J43.394B -CH$LINK: PUBCHEM SID:8559 +CH$LINK: PUBCHEM CID:8405 CH$LINK: INCHIKEY AWJUIBRHMBBTKR-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID2047644 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO003255.txt b/Keio_Univ/MSBNK-Keio_Univ-KO003255.txt index 1c446d73c76..df9900f554e 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO003255.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO003255.txt @@ -17,7 +17,7 @@ CH$LINK: CHEBI CHEBI:16092 CH$LINK: CHEMPDB ISQ CH$LINK: KEGG C06323 CH$LINK: NIKKAJI J43.394B -CH$LINK: PUBCHEM SID:8559 +CH$LINK: PUBCHEM CID:8405 CH$LINK: INCHIKEY AWJUIBRHMBBTKR-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID2047644 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO003256.txt b/Keio_Univ/MSBNK-Keio_Univ-KO003256.txt index 85dd0c0568f..2e544d5a528 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO003256.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO003256.txt @@ -17,7 +17,7 @@ CH$LINK: CHEBI CHEBI:16092 CH$LINK: CHEMPDB ISQ CH$LINK: KEGG C06323 CH$LINK: NIKKAJI J43.394B -CH$LINK: PUBCHEM SID:8559 +CH$LINK: PUBCHEM CID:8405 CH$LINK: INCHIKEY AWJUIBRHMBBTKR-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID2047644 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO003267.txt b/Keio_Univ/MSBNK-Keio_Univ-KO003267.txt index ace676f52b5..b559f39d16b 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO003267.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO003267.txt @@ -16,7 +16,7 @@ CH$LINK: CAS 343-65-7 CH$LINK: CHEBI CHEBI:16946 CH$LINK: KEGG C00328 CH$LINK: NIKKAJI J5.688J -CH$LINK: PUBCHEM SID:3622 +CH$LINK: PUBCHEM CID:161166 CH$LINK: INCHIKEY YGPSJZOEDVAXAB-QMMMGPOBSA-N AC$INSTRUMENT: API3000, Applied Biosystems AC$INSTRUMENT_TYPE: LC-ESI-QQ diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO003268.txt b/Keio_Univ/MSBNK-Keio_Univ-KO003268.txt index f8062d8be61..5ab006539ee 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO003268.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO003268.txt @@ -16,7 +16,7 @@ CH$LINK: CAS 343-65-7 CH$LINK: CHEBI CHEBI:16946 CH$LINK: KEGG C00328 CH$LINK: NIKKAJI J5.688J -CH$LINK: PUBCHEM SID:3622 +CH$LINK: PUBCHEM CID:161166 CH$LINK: INCHIKEY YGPSJZOEDVAXAB-QMMMGPOBSA-N AC$INSTRUMENT: API3000, Applied Biosystems AC$INSTRUMENT_TYPE: LC-ESI-QQ diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO003269.txt b/Keio_Univ/MSBNK-Keio_Univ-KO003269.txt index 971102ba79d..0545e13243c 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO003269.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO003269.txt @@ -16,7 +16,7 @@ CH$LINK: CAS 343-65-7 CH$LINK: CHEBI CHEBI:16946 CH$LINK: KEGG C00328 CH$LINK: NIKKAJI J5.688J -CH$LINK: PUBCHEM SID:3622 +CH$LINK: PUBCHEM CID:161166 CH$LINK: INCHIKEY YGPSJZOEDVAXAB-QMMMGPOBSA-N AC$INSTRUMENT: API3000, Applied Biosystems AC$INSTRUMENT_TYPE: LC-ESI-QQ diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO003270.txt b/Keio_Univ/MSBNK-Keio_Univ-KO003270.txt index ec6f2a65b41..b3052c13d6f 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO003270.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO003270.txt @@ -16,7 +16,7 @@ CH$LINK: CAS 343-65-7 CH$LINK: CHEBI CHEBI:16946 CH$LINK: KEGG C00328 CH$LINK: NIKKAJI J5.688J -CH$LINK: PUBCHEM SID:3622 +CH$LINK: PUBCHEM CID:161166 CH$LINK: INCHIKEY YGPSJZOEDVAXAB-QMMMGPOBSA-N AC$INSTRUMENT: API3000, Applied Biosystems AC$INSTRUMENT_TYPE: LC-ESI-QQ diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO003271.txt b/Keio_Univ/MSBNK-Keio_Univ-KO003271.txt index 5a8dde04228..efd9290b7c0 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO003271.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO003271.txt @@ -16,7 +16,7 @@ CH$LINK: CAS 343-65-7 CH$LINK: CHEBI CHEBI:16946 CH$LINK: KEGG C00328 CH$LINK: NIKKAJI J5.688J -CH$LINK: PUBCHEM SID:3622 +CH$LINK: PUBCHEM CID:161166 CH$LINK: INCHIKEY YGPSJZOEDVAXAB-QMMMGPOBSA-N AC$INSTRUMENT: API3000, Applied Biosystems AC$INSTRUMENT_TYPE: LC-ESI-QQ diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO003272.txt b/Keio_Univ/MSBNK-Keio_Univ-KO003272.txt index af53d9c8387..affe77a9ecf 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO003272.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO003272.txt @@ -13,7 +13,7 @@ CH$IUPAC: InChI=1S/C13H16ClNO/c1-15-13(9-5-4-8-12(13)16)10-6-2-3-7-11(10)14/h2-3 CH$LINK: CAS 6740-88-1 CH$LINK: KEGG C07525 CH$LINK: NIKKAJI J244.885H -CH$LINK: PUBCHEM SID:9728 +CH$LINK: PUBCHEM CID:3821 CH$LINK: INCHIKEY YQEZLKZALYSWHR-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID8023187 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO003273.txt b/Keio_Univ/MSBNK-Keio_Univ-KO003273.txt index 51e5f731163..6b1c6c842bc 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO003273.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO003273.txt @@ -13,7 +13,7 @@ CH$IUPAC: InChI=1S/C13H16ClNO/c1-15-13(9-5-4-8-12(13)16)10-6-2-3-7-11(10)14/h2-3 CH$LINK: CAS 6740-88-1 CH$LINK: KEGG C07525 CH$LINK: NIKKAJI J244.885H -CH$LINK: PUBCHEM SID:9728 +CH$LINK: PUBCHEM CID:3821 CH$LINK: INCHIKEY YQEZLKZALYSWHR-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID8023187 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO003274.txt b/Keio_Univ/MSBNK-Keio_Univ-KO003274.txt index 1cee00eaeed..fd17956af33 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO003274.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO003274.txt @@ -13,7 +13,7 @@ CH$IUPAC: InChI=1S/C13H16ClNO/c1-15-13(9-5-4-8-12(13)16)10-6-2-3-7-11(10)14/h2-3 CH$LINK: CAS 6740-88-1 CH$LINK: KEGG C07525 CH$LINK: NIKKAJI J244.885H -CH$LINK: PUBCHEM SID:9728 +CH$LINK: PUBCHEM CID:3821 CH$LINK: INCHIKEY YQEZLKZALYSWHR-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID8023187 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO003275.txt b/Keio_Univ/MSBNK-Keio_Univ-KO003275.txt index 09df87629a4..865cfd4f1f7 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO003275.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO003275.txt @@ -13,7 +13,7 @@ CH$IUPAC: InChI=1S/C13H16ClNO/c1-15-13(9-5-4-8-12(13)16)10-6-2-3-7-11(10)14/h2-3 CH$LINK: CAS 6740-88-1 CH$LINK: KEGG C07525 CH$LINK: NIKKAJI J244.885H -CH$LINK: PUBCHEM SID:9728 +CH$LINK: PUBCHEM CID:3821 CH$LINK: INCHIKEY YQEZLKZALYSWHR-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID8023187 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO003276.txt b/Keio_Univ/MSBNK-Keio_Univ-KO003276.txt index e9f9019e6df..9cfc7e754d1 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO003276.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO003276.txt @@ -13,7 +13,7 @@ CH$IUPAC: InChI=1S/C13H16ClNO/c1-15-13(9-5-4-8-12(13)16)10-6-2-3-7-11(10)14/h2-3 CH$LINK: CAS 6740-88-1 CH$LINK: KEGG C07525 CH$LINK: NIKKAJI J244.885H -CH$LINK: PUBCHEM SID:9728 +CH$LINK: PUBCHEM CID:3821 CH$LINK: INCHIKEY YQEZLKZALYSWHR-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID8023187 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO003277.txt b/Keio_Univ/MSBNK-Keio_Univ-KO003277.txt index e0b7d1e08ac..98fd32198ab 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO003277.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO003277.txt @@ -19,7 +19,7 @@ CH$LINK: CHEBI CHEBI:15603 CH$LINK: CHEMPDB LEU CH$LINK: KEGG C00123 CH$LINK: NIKKAJI J1.167C -CH$LINK: PUBCHEM SID:3423 +CH$LINK: PUBCHEM CID:6106 CH$LINK: INCHIKEY ROHFNLRQFUQHCH-YFKPBYRVSA-N CH$LINK: COMPTOX DTXSID9023203 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO003278.txt b/Keio_Univ/MSBNK-Keio_Univ-KO003278.txt index 34bc73b99bc..2e9f2bc5971 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO003278.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO003278.txt @@ -19,7 +19,7 @@ CH$LINK: CHEBI CHEBI:15603 CH$LINK: CHEMPDB LEU CH$LINK: KEGG C00123 CH$LINK: NIKKAJI J1.167C -CH$LINK: PUBCHEM SID:3423 +CH$LINK: PUBCHEM CID:6106 CH$LINK: INCHIKEY ROHFNLRQFUQHCH-YFKPBYRVSA-N CH$LINK: COMPTOX DTXSID9023203 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO003279.txt b/Keio_Univ/MSBNK-Keio_Univ-KO003279.txt index 06dd49d828c..900f0ac80e9 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO003279.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO003279.txt @@ -19,7 +19,7 @@ CH$LINK: CHEBI CHEBI:15603 CH$LINK: CHEMPDB LEU CH$LINK: KEGG C00123 CH$LINK: NIKKAJI J1.167C -CH$LINK: PUBCHEM SID:3423 +CH$LINK: PUBCHEM CID:6106 CH$LINK: INCHIKEY ROHFNLRQFUQHCH-YFKPBYRVSA-N CH$LINK: COMPTOX DTXSID9023203 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO003280.txt b/Keio_Univ/MSBNK-Keio_Univ-KO003280.txt index c32d8686742..729c8a27a25 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO003280.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO003280.txt @@ -19,7 +19,7 @@ CH$LINK: CHEBI CHEBI:15603 CH$LINK: CHEMPDB LEU CH$LINK: KEGG C00123 CH$LINK: NIKKAJI J1.167C -CH$LINK: PUBCHEM SID:3423 +CH$LINK: PUBCHEM CID:6106 CH$LINK: INCHIKEY ROHFNLRQFUQHCH-YFKPBYRVSA-N CH$LINK: COMPTOX DTXSID9023203 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO003281.txt b/Keio_Univ/MSBNK-Keio_Univ-KO003281.txt index b7037c52379..72f4c14147f 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO003281.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO003281.txt @@ -19,7 +19,7 @@ CH$LINK: CHEBI CHEBI:15603 CH$LINK: CHEMPDB LEU CH$LINK: KEGG C00123 CH$LINK: NIKKAJI J1.167C -CH$LINK: PUBCHEM SID:3423 +CH$LINK: PUBCHEM CID:6106 CH$LINK: INCHIKEY ROHFNLRQFUQHCH-YFKPBYRVSA-N CH$LINK: COMPTOX DTXSID9023203 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO003282.txt b/Keio_Univ/MSBNK-Keio_Univ-KO003282.txt index 7fb4c1263ce..69cab8453c5 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO003282.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO003282.txt @@ -18,7 +18,7 @@ CH$LINK: CAS 56-87-1 CH$LINK: CHEBI CHEBI:18019 CH$LINK: KEGG C00047 CH$LINK: NIKKAJI J9.176F -CH$LINK: PUBCHEM SID:3349 +CH$LINK: PUBCHEM CID:5962 CH$LINK: INCHIKEY KDXKERNSBIXSRK-YFKPBYRVSA-N CH$LINK: COMPTOX DTXSID6023232 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO003283.txt b/Keio_Univ/MSBNK-Keio_Univ-KO003283.txt index d602c9e9b7a..f4e2164d871 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO003283.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO003283.txt @@ -18,7 +18,7 @@ CH$LINK: CAS 56-87-1 CH$LINK: CHEBI CHEBI:18019 CH$LINK: KEGG C00047 CH$LINK: NIKKAJI J9.176F -CH$LINK: PUBCHEM SID:3349 +CH$LINK: PUBCHEM CID:5962 CH$LINK: INCHIKEY KDXKERNSBIXSRK-YFKPBYRVSA-N CH$LINK: COMPTOX DTXSID6023232 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO003284.txt b/Keio_Univ/MSBNK-Keio_Univ-KO003284.txt index 4030265de0b..ee7aeb2b675 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO003284.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO003284.txt @@ -18,7 +18,7 @@ CH$LINK: CAS 56-87-1 CH$LINK: CHEBI CHEBI:18019 CH$LINK: KEGG C00047 CH$LINK: NIKKAJI J9.176F -CH$LINK: PUBCHEM SID:3349 +CH$LINK: PUBCHEM CID:5962 CH$LINK: INCHIKEY KDXKERNSBIXSRK-YFKPBYRVSA-N CH$LINK: COMPTOX DTXSID6023232 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO003285.txt b/Keio_Univ/MSBNK-Keio_Univ-KO003285.txt index 8bad7e228dd..ca1f3cd612f 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO003285.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO003285.txt @@ -18,7 +18,7 @@ CH$LINK: CAS 56-87-1 CH$LINK: CHEBI CHEBI:18019 CH$LINK: KEGG C00047 CH$LINK: NIKKAJI J9.176F -CH$LINK: PUBCHEM SID:3349 +CH$LINK: PUBCHEM CID:5962 CH$LINK: INCHIKEY KDXKERNSBIXSRK-YFKPBYRVSA-N CH$LINK: COMPTOX DTXSID6023232 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO003286.txt b/Keio_Univ/MSBNK-Keio_Univ-KO003286.txt index f06949d0881..00a897e4108 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO003286.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO003286.txt @@ -18,7 +18,7 @@ CH$LINK: CAS 56-87-1 CH$LINK: CHEBI CHEBI:18019 CH$LINK: KEGG C00047 CH$LINK: NIKKAJI J9.176F -CH$LINK: PUBCHEM SID:3349 +CH$LINK: PUBCHEM CID:5962 CH$LINK: INCHIKEY KDXKERNSBIXSRK-YFKPBYRVSA-N CH$LINK: COMPTOX DTXSID6023232 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO003292.txt b/Keio_Univ/MSBNK-Keio_Univ-KO003292.txt index 90e64691600..3e017017f68 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO003292.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO003292.txt @@ -13,7 +13,7 @@ CH$SMILES: CC(C)CC(N)C(=O)NC(CC(C)C)C(=O)NC(C(O)=O)Cc(c1)ccc(O)c1 CH$IUPAC: InChI=1S/C21H33N3O5/c1-12(2)9-16(22)19(26)23-17(10-13(3)4)20(27)24-18(21(28)29)11-14-5-7-15(25)8-6-14/h5-8,12-13,16-18,25H,9-11,22H2,1-4H3,(H,23,26)(H,24,27)(H,28,29)/t16-,17-,18-/m0/s1 CH$LINK: CAS 20368-24-5 CH$LINK: KEGG C11331 -CH$LINK: PUBCHEM SID:13506 +CH$LINK: PUBCHEM CID:88513 CH$LINK: INCHIKEY UCNNZELZXFXXJQ-BZSNNMDCSA-N CH$LINK: COMPTOX DTXSID30942525 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO003293.txt b/Keio_Univ/MSBNK-Keio_Univ-KO003293.txt index e279297fe03..1f17d50fdc5 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO003293.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO003293.txt @@ -13,7 +13,7 @@ CH$SMILES: CC(C)CC(N)C(=O)NC(CC(C)C)C(=O)NC(C(O)=O)Cc(c1)ccc(O)c1 CH$IUPAC: InChI=1S/C21H33N3O5/c1-12(2)9-16(22)19(26)23-17(10-13(3)4)20(27)24-18(21(28)29)11-14-5-7-15(25)8-6-14/h5-8,12-13,16-18,25H,9-11,22H2,1-4H3,(H,23,26)(H,24,27)(H,28,29)/t16-,17-,18-/m0/s1 CH$LINK: CAS 20368-24-5 CH$LINK: KEGG C11331 -CH$LINK: PUBCHEM SID:13506 +CH$LINK: PUBCHEM CID:88513 CH$LINK: INCHIKEY UCNNZELZXFXXJQ-BZSNNMDCSA-N CH$LINK: COMPTOX DTXSID30942525 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO003294.txt b/Keio_Univ/MSBNK-Keio_Univ-KO003294.txt index 9976ce2e7c1..d41877a7811 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO003294.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO003294.txt @@ -13,7 +13,7 @@ CH$SMILES: CC(C)CC(N)C(=O)NC(CC(C)C)C(=O)NC(C(O)=O)Cc(c1)ccc(O)c1 CH$IUPAC: InChI=1S/C21H33N3O5/c1-12(2)9-16(22)19(26)23-17(10-13(3)4)20(27)24-18(21(28)29)11-14-5-7-15(25)8-6-14/h5-8,12-13,16-18,25H,9-11,22H2,1-4H3,(H,23,26)(H,24,27)(H,28,29)/t16-,17-,18-/m0/s1 CH$LINK: CAS 20368-24-5 CH$LINK: KEGG C11331 -CH$LINK: PUBCHEM SID:13506 +CH$LINK: PUBCHEM CID:88513 CH$LINK: INCHIKEY UCNNZELZXFXXJQ-BZSNNMDCSA-N CH$LINK: COMPTOX DTXSID30942525 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO003295.txt b/Keio_Univ/MSBNK-Keio_Univ-KO003295.txt index 8b63f5ca706..1e40e3036ec 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO003295.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO003295.txt @@ -13,7 +13,7 @@ CH$SMILES: CC(C)CC(N)C(=O)NC(CC(C)C)C(=O)NC(C(O)=O)Cc(c1)ccc(O)c1 CH$IUPAC: InChI=1S/C21H33N3O5/c1-12(2)9-16(22)19(26)23-17(10-13(3)4)20(27)24-18(21(28)29)11-14-5-7-15(25)8-6-14/h5-8,12-13,16-18,25H,9-11,22H2,1-4H3,(H,23,26)(H,24,27)(H,28,29)/t16-,17-,18-/m0/s1 CH$LINK: CAS 20368-24-5 CH$LINK: KEGG C11331 -CH$LINK: PUBCHEM SID:13506 +CH$LINK: PUBCHEM CID:88513 CH$LINK: INCHIKEY UCNNZELZXFXXJQ-BZSNNMDCSA-N CH$LINK: COMPTOX DTXSID30942525 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO003296.txt b/Keio_Univ/MSBNK-Keio_Univ-KO003296.txt index fe3723a5211..d4299a8dd06 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO003296.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO003296.txt @@ -13,7 +13,7 @@ CH$SMILES: CC(C)CC(N)C(=O)NC(CC(C)C)C(=O)NC(C(O)=O)Cc(c1)ccc(O)c1 CH$IUPAC: InChI=1S/C21H33N3O5/c1-12(2)9-16(22)19(26)23-17(10-13(3)4)20(27)24-18(21(28)29)11-14-5-7-15(25)8-6-14/h5-8,12-13,16-18,25H,9-11,22H2,1-4H3,(H,23,26)(H,24,27)(H,28,29)/t16-,17-,18-/m0/s1 CH$LINK: CAS 20368-24-5 CH$LINK: KEGG C11331 -CH$LINK: PUBCHEM SID:13506 +CH$LINK: PUBCHEM CID:88513 CH$LINK: INCHIKEY UCNNZELZXFXXJQ-BZSNNMDCSA-N CH$LINK: COMPTOX DTXSID30942525 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO003297.txt b/Keio_Univ/MSBNK-Keio_Univ-KO003297.txt index 05f2a979447..2b823033776 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO003297.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO003297.txt @@ -15,7 +15,7 @@ CH$LINK: CAS 25138-66-3 CH$LINK: CHEBI CHEBI:15694 CH$LINK: KEGG C03451 CH$LINK: NIKKAJI J410.799C -CH$LINK: PUBCHEM SID:6272 +CH$LINK: PUBCHEM CID:440018 CH$LINK: INCHIKEY VDYDCVUWILIYQF-CSMHCCOUSA-N AC$INSTRUMENT: API3000, Applied Biosystems AC$INSTRUMENT_TYPE: LC-ESI-QQ diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO003298.txt b/Keio_Univ/MSBNK-Keio_Univ-KO003298.txt index c25a63eae6b..37266b9b140 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO003298.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO003298.txt @@ -15,7 +15,7 @@ CH$LINK: CAS 25138-66-3 CH$LINK: CHEBI CHEBI:15694 CH$LINK: KEGG C03451 CH$LINK: NIKKAJI J410.799C -CH$LINK: PUBCHEM SID:6272 +CH$LINK: PUBCHEM CID:440018 CH$LINK: INCHIKEY VDYDCVUWILIYQF-CSMHCCOUSA-N AC$INSTRUMENT: API3000, Applied Biosystems AC$INSTRUMENT_TYPE: LC-ESI-QQ diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO003299.txt b/Keio_Univ/MSBNK-Keio_Univ-KO003299.txt index 23a305a90e0..9fe009c26c7 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO003299.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO003299.txt @@ -15,7 +15,7 @@ CH$LINK: CAS 25138-66-3 CH$LINK: CHEBI CHEBI:15694 CH$LINK: KEGG C03451 CH$LINK: NIKKAJI J410.799C -CH$LINK: PUBCHEM SID:6272 +CH$LINK: PUBCHEM CID:440018 CH$LINK: INCHIKEY VDYDCVUWILIYQF-CSMHCCOUSA-N AC$INSTRUMENT: API3000, Applied Biosystems AC$INSTRUMENT_TYPE: LC-ESI-QQ diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO003300.txt b/Keio_Univ/MSBNK-Keio_Univ-KO003300.txt index e5cb5b673b8..18dca8b1e36 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO003300.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO003300.txt @@ -15,7 +15,7 @@ CH$LINK: CAS 25138-66-3 CH$LINK: CHEBI CHEBI:15694 CH$LINK: KEGG C03451 CH$LINK: NIKKAJI J410.799C -CH$LINK: PUBCHEM SID:6272 +CH$LINK: PUBCHEM CID:440018 CH$LINK: INCHIKEY VDYDCVUWILIYQF-CSMHCCOUSA-N AC$INSTRUMENT: API3000, Applied Biosystems AC$INSTRUMENT_TYPE: LC-ESI-QQ diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO003301.txt b/Keio_Univ/MSBNK-Keio_Univ-KO003301.txt index 38da4189d7d..eef56da19a9 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO003301.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO003301.txt @@ -15,7 +15,7 @@ CH$LINK: CAS 25138-66-3 CH$LINK: CHEBI CHEBI:15694 CH$LINK: KEGG C03451 CH$LINK: NIKKAJI J410.799C -CH$LINK: PUBCHEM SID:6272 +CH$LINK: PUBCHEM CID:440018 CH$LINK: INCHIKEY VDYDCVUWILIYQF-CSMHCCOUSA-N AC$INSTRUMENT: API3000, Applied Biosystems AC$INSTRUMENT_TYPE: LC-ESI-QQ diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO003302.txt b/Keio_Univ/MSBNK-Keio_Univ-KO003302.txt index eeffed71bd3..0c761219384 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO003302.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO003302.txt @@ -15,7 +15,7 @@ CH$LINK: CAS 487-21-8 CH$LINK: CHEBI CHEBI:16489 CH$LINK: KEGG C03212 CH$LINK: NIKKAJI J6.019D -CH$LINK: PUBCHEM SID:6086 +CH$LINK: PUBCHEM CID:10250 CH$LINK: INCHIKEY UYEUUXMDVNYCAM-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID0060068 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO003303.txt b/Keio_Univ/MSBNK-Keio_Univ-KO003303.txt index bdf494d504b..fa11a6f5988 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO003303.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO003303.txt @@ -15,7 +15,7 @@ CH$LINK: CAS 487-21-8 CH$LINK: CHEBI CHEBI:16489 CH$LINK: KEGG C03212 CH$LINK: NIKKAJI J6.019D -CH$LINK: PUBCHEM SID:6086 +CH$LINK: PUBCHEM CID:10250 CH$LINK: INCHIKEY UYEUUXMDVNYCAM-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID0060068 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO003304.txt b/Keio_Univ/MSBNK-Keio_Univ-KO003304.txt index 8b0b41f9e79..f26b82d1829 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO003304.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO003304.txt @@ -15,7 +15,7 @@ CH$LINK: CAS 487-21-8 CH$LINK: CHEBI CHEBI:16489 CH$LINK: KEGG C03212 CH$LINK: NIKKAJI J6.019D -CH$LINK: PUBCHEM SID:6086 +CH$LINK: PUBCHEM CID:10250 CH$LINK: INCHIKEY UYEUUXMDVNYCAM-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID0060068 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO003305.txt b/Keio_Univ/MSBNK-Keio_Univ-KO003305.txt index 383dce7c812..df13a11f778 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO003305.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO003305.txt @@ -15,7 +15,7 @@ CH$LINK: CAS 487-21-8 CH$LINK: CHEBI CHEBI:16489 CH$LINK: KEGG C03212 CH$LINK: NIKKAJI J6.019D -CH$LINK: PUBCHEM SID:6086 +CH$LINK: PUBCHEM CID:10250 CH$LINK: INCHIKEY UYEUUXMDVNYCAM-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID0060068 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO003306.txt b/Keio_Univ/MSBNK-Keio_Univ-KO003306.txt index a69300f2507..59094d35082 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO003306.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO003306.txt @@ -15,7 +15,7 @@ CH$LINK: CAS 487-21-8 CH$LINK: CHEBI CHEBI:16489 CH$LINK: KEGG C03212 CH$LINK: NIKKAJI J6.019D -CH$LINK: PUBCHEM SID:6086 +CH$LINK: PUBCHEM CID:10250 CH$LINK: INCHIKEY UYEUUXMDVNYCAM-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID0060068 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO003307.txt b/Keio_Univ/MSBNK-Keio_Univ-KO003307.txt index ec6eaf1ea20..add6076aa5f 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO003307.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO003307.txt @@ -12,7 +12,7 @@ CH$EXACT_MASS: 145.12151 CH$SMILES: NCCCC[C@H](N)C(N)=O CH$IUPAC: InChI=1S/C6H15N3O/c7-4-2-1-3-5(8)6(9)10/h5H,1-4,7-8H2,(H2,9,10)/t5-/m0/s1 CH$LINK: KEGG C01930 -CH$LINK: PUBCHEM SID:5036 +CH$LINK: PUBCHEM CID:439605 CH$LINK: INCHIKEY HKXLAGBDJVHRQG-YFKPBYRVSA-N CH$LINK: COMPTOX DTXSID50186101 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO003308.txt b/Keio_Univ/MSBNK-Keio_Univ-KO003308.txt index bce14ed7655..803396e596d 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO003308.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO003308.txt @@ -12,7 +12,7 @@ CH$EXACT_MASS: 145.12151 CH$SMILES: NCCCC[C@H](N)C(N)=O CH$IUPAC: InChI=1S/C6H15N3O/c7-4-2-1-3-5(8)6(9)10/h5H,1-4,7-8H2,(H2,9,10)/t5-/m0/s1 CH$LINK: KEGG C01930 -CH$LINK: PUBCHEM SID:5036 +CH$LINK: PUBCHEM CID:439605 CH$LINK: INCHIKEY HKXLAGBDJVHRQG-YFKPBYRVSA-N CH$LINK: COMPTOX DTXSID50186101 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO003309.txt b/Keio_Univ/MSBNK-Keio_Univ-KO003309.txt index a26a4738ed6..4084fdf3a36 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO003309.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO003309.txt @@ -12,7 +12,7 @@ CH$EXACT_MASS: 145.12151 CH$SMILES: NCCCC[C@H](N)C(N)=O CH$IUPAC: InChI=1S/C6H15N3O/c7-4-2-1-3-5(8)6(9)10/h5H,1-4,7-8H2,(H2,9,10)/t5-/m0/s1 CH$LINK: KEGG C01930 -CH$LINK: PUBCHEM SID:5036 +CH$LINK: PUBCHEM CID:439605 CH$LINK: INCHIKEY HKXLAGBDJVHRQG-YFKPBYRVSA-N CH$LINK: COMPTOX DTXSID50186101 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO003310.txt b/Keio_Univ/MSBNK-Keio_Univ-KO003310.txt index 6d2f95e6559..ec223d2d924 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO003310.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO003310.txt @@ -12,7 +12,7 @@ CH$EXACT_MASS: 145.12151 CH$SMILES: NCCCC[C@H](N)C(N)=O CH$IUPAC: InChI=1S/C6H15N3O/c7-4-2-1-3-5(8)6(9)10/h5H,1-4,7-8H2,(H2,9,10)/t5-/m0/s1 CH$LINK: KEGG C01930 -CH$LINK: PUBCHEM SID:5036 +CH$LINK: PUBCHEM CID:439605 CH$LINK: INCHIKEY HKXLAGBDJVHRQG-YFKPBYRVSA-N CH$LINK: COMPTOX DTXSID50186101 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO003311.txt b/Keio_Univ/MSBNK-Keio_Univ-KO003311.txt index 07fc2ad2671..6feecd9dddb 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO003311.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO003311.txt @@ -12,7 +12,7 @@ CH$EXACT_MASS: 145.12151 CH$SMILES: NCCCC[C@H](N)C(N)=O CH$IUPAC: InChI=1S/C6H15N3O/c7-4-2-1-3-5(8)6(9)10/h5H,1-4,7-8H2,(H2,9,10)/t5-/m0/s1 CH$LINK: KEGG C01930 -CH$LINK: PUBCHEM SID:5036 +CH$LINK: PUBCHEM CID:439605 CH$LINK: INCHIKEY HKXLAGBDJVHRQG-YFKPBYRVSA-N CH$LINK: COMPTOX DTXSID50186101 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO003312.txt b/Keio_Univ/MSBNK-Keio_Univ-KO003312.txt index ab3af38bcc9..62c6e5f7252 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO003312.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO003312.txt @@ -17,7 +17,7 @@ CH$LINK: CAS 940-69-2 CH$LINK: CHEBI CHEBI:17460 CH$LINK: KEGG C00248 CH$LINK: NIKKAJI J25.390A -CH$LINK: PUBCHEM SID:3547 +CH$LINK: PUBCHEM CID:863 CH$LINK: INCHIKEY FCCDDURTIIUXBY-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID2046541 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO003313.txt b/Keio_Univ/MSBNK-Keio_Univ-KO003313.txt index 09bfbc72f8b..f0cb30fddb3 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO003313.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO003313.txt @@ -17,7 +17,7 @@ CH$LINK: CAS 940-69-2 CH$LINK: CHEBI CHEBI:17460 CH$LINK: KEGG C00248 CH$LINK: NIKKAJI J25.390A -CH$LINK: PUBCHEM SID:3547 +CH$LINK: PUBCHEM CID:863 CH$LINK: INCHIKEY FCCDDURTIIUXBY-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID2046541 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO003314.txt b/Keio_Univ/MSBNK-Keio_Univ-KO003314.txt index b842fdb75a7..be681924c31 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO003314.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO003314.txt @@ -17,7 +17,7 @@ CH$LINK: CAS 940-69-2 CH$LINK: CHEBI CHEBI:17460 CH$LINK: KEGG C00248 CH$LINK: NIKKAJI J25.390A -CH$LINK: PUBCHEM SID:3547 +CH$LINK: PUBCHEM CID:863 CH$LINK: INCHIKEY FCCDDURTIIUXBY-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID2046541 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO003315.txt b/Keio_Univ/MSBNK-Keio_Univ-KO003315.txt index 21569784cc5..36b2b9bde7b 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO003315.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO003315.txt @@ -17,7 +17,7 @@ CH$LINK: CAS 940-69-2 CH$LINK: CHEBI CHEBI:17460 CH$LINK: KEGG C00248 CH$LINK: NIKKAJI J25.390A -CH$LINK: PUBCHEM SID:3547 +CH$LINK: PUBCHEM CID:863 CH$LINK: INCHIKEY FCCDDURTIIUXBY-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID2046541 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO003316.txt b/Keio_Univ/MSBNK-Keio_Univ-KO003316.txt index 94564e73d42..76d4185c80f 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO003316.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO003316.txt @@ -17,7 +17,7 @@ CH$LINK: CAS 940-69-2 CH$LINK: CHEBI CHEBI:17460 CH$LINK: KEGG C00248 CH$LINK: NIKKAJI J25.390A -CH$LINK: PUBCHEM SID:3547 +CH$LINK: PUBCHEM CID:863 CH$LINK: INCHIKEY FCCDDURTIIUXBY-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID2046541 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO003322.txt b/Keio_Univ/MSBNK-Keio_Univ-KO003322.txt index 49b513a47d9..72084d594f8 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO003322.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO003322.txt @@ -13,7 +13,7 @@ CH$IUPAC: InChI=1S/C29H33ClN2O2/c1-31(2)27(33)29(24-9-5-3-6-10-24,25-11-7-4-8-12 CH$LINK: CAS 53179-11-6 CH$LINK: KEGG C07080 CH$LINK: NIKKAJI J10.085D -CH$LINK: PUBCHEM SID:9291 +CH$LINK: PUBCHEM CID:3955 CH$LINK: INCHIKEY RDOIQAHITMMDAJ-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID6045165 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO003323.txt b/Keio_Univ/MSBNK-Keio_Univ-KO003323.txt index 82a1a0df7ed..44e706cf519 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO003323.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO003323.txt @@ -13,7 +13,7 @@ CH$IUPAC: InChI=1S/C29H33ClN2O2/c1-31(2)27(33)29(24-9-5-3-6-10-24,25-11-7-4-8-12 CH$LINK: CAS 53179-11-6 CH$LINK: KEGG C07080 CH$LINK: NIKKAJI J10.085D -CH$LINK: PUBCHEM SID:9291 +CH$LINK: PUBCHEM CID:3955 CH$LINK: INCHIKEY RDOIQAHITMMDAJ-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID6045165 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO003324.txt b/Keio_Univ/MSBNK-Keio_Univ-KO003324.txt index bacaddaadb4..1573bc08cba 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO003324.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO003324.txt @@ -13,7 +13,7 @@ CH$IUPAC: InChI=1S/C29H33ClN2O2/c1-31(2)27(33)29(24-9-5-3-6-10-24,25-11-7-4-8-12 CH$LINK: CAS 53179-11-6 CH$LINK: KEGG C07080 CH$LINK: NIKKAJI J10.085D -CH$LINK: PUBCHEM SID:9291 +CH$LINK: PUBCHEM CID:3955 CH$LINK: INCHIKEY RDOIQAHITMMDAJ-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID6045165 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO003325.txt b/Keio_Univ/MSBNK-Keio_Univ-KO003325.txt index 40ee28c24e7..bd347e7c955 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO003325.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO003325.txt @@ -13,7 +13,7 @@ CH$IUPAC: InChI=1S/C29H33ClN2O2/c1-31(2)27(33)29(24-9-5-3-6-10-24,25-11-7-4-8-12 CH$LINK: CAS 53179-11-6 CH$LINK: KEGG C07080 CH$LINK: NIKKAJI J10.085D -CH$LINK: PUBCHEM SID:9291 +CH$LINK: PUBCHEM CID:3955 CH$LINK: INCHIKEY RDOIQAHITMMDAJ-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID6045165 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO003326.txt b/Keio_Univ/MSBNK-Keio_Univ-KO003326.txt index c41cf0d7b91..5aa81f85eb1 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO003326.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO003326.txt @@ -13,7 +13,7 @@ CH$IUPAC: InChI=1S/C29H33ClN2O2/c1-31(2)27(33)29(24-9-5-3-6-10-24,25-11-7-4-8-12 CH$LINK: CAS 53179-11-6 CH$LINK: KEGG C07080 CH$LINK: NIKKAJI J10.085D -CH$LINK: PUBCHEM SID:9291 +CH$LINK: PUBCHEM CID:3955 CH$LINK: INCHIKEY RDOIQAHITMMDAJ-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID6045165 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO003332.txt b/Keio_Univ/MSBNK-Keio_Univ-KO003332.txt index 333938dcaef..4c0abba6c95 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO003332.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO003332.txt @@ -17,7 +17,7 @@ CH$LINK: CHEBI CHEBI:16643 CH$LINK: CHEMPDB MET CH$LINK: KEGG C00073 CH$LINK: NIKKAJI J9.174J -CH$LINK: PUBCHEM SID:3373 +CH$LINK: PUBCHEM CID:6137 CH$LINK: INCHIKEY FFEARJCKVFRZRR-BYPYZUCNSA-N CH$LINK: COMPTOX DTXSID5040548 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO003333.txt b/Keio_Univ/MSBNK-Keio_Univ-KO003333.txt index f512ab96f36..99b2346e181 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO003333.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO003333.txt @@ -17,7 +17,7 @@ CH$LINK: CHEBI CHEBI:16643 CH$LINK: CHEMPDB MET CH$LINK: KEGG C00073 CH$LINK: NIKKAJI J9.174J -CH$LINK: PUBCHEM SID:3373 +CH$LINK: PUBCHEM CID:6137 CH$LINK: INCHIKEY FFEARJCKVFRZRR-BYPYZUCNSA-N CH$LINK: COMPTOX DTXSID5040548 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO003334.txt b/Keio_Univ/MSBNK-Keio_Univ-KO003334.txt index 4ac4eb48828..7e1dfc1e8bd 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO003334.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO003334.txt @@ -17,7 +17,7 @@ CH$LINK: CHEBI CHEBI:16643 CH$LINK: CHEMPDB MET CH$LINK: KEGG C00073 CH$LINK: NIKKAJI J9.174J -CH$LINK: PUBCHEM SID:3373 +CH$LINK: PUBCHEM CID:6137 CH$LINK: INCHIKEY FFEARJCKVFRZRR-BYPYZUCNSA-N CH$LINK: COMPTOX DTXSID5040548 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO003335.txt b/Keio_Univ/MSBNK-Keio_Univ-KO003335.txt index 668d8070a42..b1c7837001e 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO003335.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO003335.txt @@ -17,7 +17,7 @@ CH$LINK: CHEBI CHEBI:16643 CH$LINK: CHEMPDB MET CH$LINK: KEGG C00073 CH$LINK: NIKKAJI J9.174J -CH$LINK: PUBCHEM SID:3373 +CH$LINK: PUBCHEM CID:6137 CH$LINK: INCHIKEY FFEARJCKVFRZRR-BYPYZUCNSA-N CH$LINK: COMPTOX DTXSID5040548 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO003336.txt b/Keio_Univ/MSBNK-Keio_Univ-KO003336.txt index a5c5b026d04..d83295dae80 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO003336.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO003336.txt @@ -17,7 +17,7 @@ CH$LINK: CHEBI CHEBI:16643 CH$LINK: CHEMPDB MET CH$LINK: KEGG C00073 CH$LINK: NIKKAJI J9.174J -CH$LINK: PUBCHEM SID:3373 +CH$LINK: PUBCHEM CID:6137 CH$LINK: INCHIKEY FFEARJCKVFRZRR-BYPYZUCNSA-N CH$LINK: COMPTOX DTXSID5040548 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO003337.txt b/Keio_Univ/MSBNK-Keio_Univ-KO003337.txt index 0dded0b8437..b7f07a709b3 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO003337.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO003337.txt @@ -13,7 +13,7 @@ CH$SMILES: OC[C@@H](O)[C@@H](O)[C@H](O)[C@H](O)COP(O)(O)=O CH$IUPAC: InChI=1S/C6H15O9P/c7-1-3(8)5(10)6(11)4(9)2-15-16(12,13)14/h3-11H,1-2H2,(H2,12,13,14)/t3-,4-,5-,6-/m1/s1 CH$LINK: CHEBI CHEBI:16298 CH$LINK: KEGG C00644 -CH$LINK: PUBCHEM SID:3917 +CH$LINK: PUBCHEM CID:130418 CH$LINK: INCHIKEY GACTWZZMVMUKNG-KVTDHHQDSA-N AC$INSTRUMENT: API3000, Applied Biosystems AC$INSTRUMENT_TYPE: LC-ESI-QQ diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO003338.txt b/Keio_Univ/MSBNK-Keio_Univ-KO003338.txt index b26b944dab7..10c7f49b52e 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO003338.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO003338.txt @@ -13,7 +13,7 @@ CH$SMILES: OC[C@@H](O)[C@@H](O)[C@H](O)[C@H](O)COP(O)(O)=O CH$IUPAC: InChI=1S/C6H15O9P/c7-1-3(8)5(10)6(11)4(9)2-15-16(12,13)14/h3-11H,1-2H2,(H2,12,13,14)/t3-,4-,5-,6-/m1/s1 CH$LINK: CHEBI CHEBI:16298 CH$LINK: KEGG C00644 -CH$LINK: PUBCHEM SID:3917 +CH$LINK: PUBCHEM CID:130418 CH$LINK: INCHIKEY GACTWZZMVMUKNG-KVTDHHQDSA-N AC$INSTRUMENT: API3000, Applied Biosystems AC$INSTRUMENT_TYPE: LC-ESI-QQ diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO003339.txt b/Keio_Univ/MSBNK-Keio_Univ-KO003339.txt index 718c9812aa2..46078a09eb3 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO003339.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO003339.txt @@ -13,7 +13,7 @@ CH$SMILES: OC[C@@H](O)[C@@H](O)[C@H](O)[C@H](O)COP(O)(O)=O CH$IUPAC: InChI=1S/C6H15O9P/c7-1-3(8)5(10)6(11)4(9)2-15-16(12,13)14/h3-11H,1-2H2,(H2,12,13,14)/t3-,4-,5-,6-/m1/s1 CH$LINK: CHEBI CHEBI:16298 CH$LINK: KEGG C00644 -CH$LINK: PUBCHEM SID:3917 +CH$LINK: PUBCHEM CID:130418 CH$LINK: INCHIKEY GACTWZZMVMUKNG-KVTDHHQDSA-N AC$INSTRUMENT: API3000, Applied Biosystems AC$INSTRUMENT_TYPE: LC-ESI-QQ diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO003340.txt b/Keio_Univ/MSBNK-Keio_Univ-KO003340.txt index d939f33854c..d33b2726899 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO003340.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO003340.txt @@ -13,7 +13,7 @@ CH$SMILES: OC[C@@H](O)[C@@H](O)[C@H](O)[C@H](O)COP(O)(O)=O CH$IUPAC: InChI=1S/C6H15O9P/c7-1-3(8)5(10)6(11)4(9)2-15-16(12,13)14/h3-11H,1-2H2,(H2,12,13,14)/t3-,4-,5-,6-/m1/s1 CH$LINK: CHEBI CHEBI:16298 CH$LINK: KEGG C00644 -CH$LINK: PUBCHEM SID:3917 +CH$LINK: PUBCHEM CID:130418 CH$LINK: INCHIKEY GACTWZZMVMUKNG-KVTDHHQDSA-N AC$INSTRUMENT: API3000, Applied Biosystems AC$INSTRUMENT_TYPE: LC-ESI-QQ diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO003341.txt b/Keio_Univ/MSBNK-Keio_Univ-KO003341.txt index 5028611a3d3..acedfa7b6db 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO003341.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO003341.txt @@ -13,7 +13,7 @@ CH$SMILES: OC[C@@H](O)[C@@H](O)[C@H](O)[C@H](O)COP(O)(O)=O CH$IUPAC: InChI=1S/C6H15O9P/c7-1-3(8)5(10)6(11)4(9)2-15-16(12,13)14/h3-11H,1-2H2,(H2,12,13,14)/t3-,4-,5-,6-/m1/s1 CH$LINK: CHEBI CHEBI:16298 CH$LINK: KEGG C00644 -CH$LINK: PUBCHEM SID:3917 +CH$LINK: PUBCHEM CID:130418 CH$LINK: INCHIKEY GACTWZZMVMUKNG-KVTDHHQDSA-N AC$INSTRUMENT: API3000, Applied Biosystems AC$INSTRUMENT_TYPE: LC-ESI-QQ diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO003342.txt b/Keio_Univ/MSBNK-Keio_Univ-KO003342.txt index 222b47687b4..534e679cd76 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO003342.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO003342.txt @@ -17,7 +17,7 @@ CH$LINK: CAS 137-00-8 CH$LINK: CHEBI CHEBI:17957 CH$LINK: KEGG C04294 CH$LINK: NIKKAJI J5.626J -CH$LINK: PUBCHEM SID:6954 +CH$LINK: PUBCHEM CID:1136 CH$LINK: INCHIKEY BKAWJIRCKVUVED-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID3044382 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO003343.txt b/Keio_Univ/MSBNK-Keio_Univ-KO003343.txt index 66937a3d4af..8bb60cbab9b 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO003343.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO003343.txt @@ -17,7 +17,7 @@ CH$LINK: CAS 137-00-8 CH$LINK: CHEBI CHEBI:17957 CH$LINK: KEGG C04294 CH$LINK: NIKKAJI J5.626J -CH$LINK: PUBCHEM SID:6954 +CH$LINK: PUBCHEM CID:1136 CH$LINK: INCHIKEY BKAWJIRCKVUVED-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID3044382 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO003344.txt b/Keio_Univ/MSBNK-Keio_Univ-KO003344.txt index 5417c3f0707..926d67b0413 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO003344.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO003344.txt @@ -17,7 +17,7 @@ CH$LINK: CAS 137-00-8 CH$LINK: CHEBI CHEBI:17957 CH$LINK: KEGG C04294 CH$LINK: NIKKAJI J5.626J -CH$LINK: PUBCHEM SID:6954 +CH$LINK: PUBCHEM CID:1136 CH$LINK: INCHIKEY BKAWJIRCKVUVED-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID3044382 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO003345.txt b/Keio_Univ/MSBNK-Keio_Univ-KO003345.txt index d7b99a07dd2..fff1ed90e70 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO003345.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO003345.txt @@ -17,7 +17,7 @@ CH$LINK: CAS 137-00-8 CH$LINK: CHEBI CHEBI:17957 CH$LINK: KEGG C04294 CH$LINK: NIKKAJI J5.626J -CH$LINK: PUBCHEM SID:6954 +CH$LINK: PUBCHEM CID:1136 CH$LINK: INCHIKEY BKAWJIRCKVUVED-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID3044382 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO003346.txt b/Keio_Univ/MSBNK-Keio_Univ-KO003346.txt index 86b0d1c618d..c0361e5598e 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO003346.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO003346.txt @@ -17,7 +17,7 @@ CH$LINK: CAS 137-00-8 CH$LINK: CHEBI CHEBI:17957 CH$LINK: KEGG C04294 CH$LINK: NIKKAJI J5.626J -CH$LINK: PUBCHEM SID:6954 +CH$LINK: PUBCHEM CID:1136 CH$LINK: INCHIKEY BKAWJIRCKVUVED-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID3044382 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO003347.txt b/Keio_Univ/MSBNK-Keio_Univ-KO003347.txt index 8eae51bff8b..bfe5ece45cf 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO003347.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO003347.txt @@ -16,7 +16,7 @@ CH$LINK: CAS 872-50-4 CH$LINK: CHEBI CHEBI:7307 CH$LINK: KEGG C11118 CH$LINK: NIKKAJI J26.033I -CH$LINK: PUBCHEM SID:13300 +CH$LINK: PUBCHEM CID:13387 CH$LINK: INCHIKEY SECXISVLQFMRJM-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID6020856 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO003348.txt b/Keio_Univ/MSBNK-Keio_Univ-KO003348.txt index 2b386343fc5..9bc5c3db125 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO003348.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO003348.txt @@ -16,7 +16,7 @@ CH$LINK: CAS 872-50-4 CH$LINK: CHEBI CHEBI:7307 CH$LINK: KEGG C11118 CH$LINK: NIKKAJI J26.033I -CH$LINK: PUBCHEM SID:13300 +CH$LINK: PUBCHEM CID:13387 CH$LINK: INCHIKEY SECXISVLQFMRJM-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID6020856 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO003349.txt b/Keio_Univ/MSBNK-Keio_Univ-KO003349.txt index 11583910f6a..f2e5c7b3a45 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO003349.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO003349.txt @@ -16,7 +16,7 @@ CH$LINK: CAS 872-50-4 CH$LINK: CHEBI CHEBI:7307 CH$LINK: KEGG C11118 CH$LINK: NIKKAJI J26.033I -CH$LINK: PUBCHEM SID:13300 +CH$LINK: PUBCHEM CID:13387 CH$LINK: INCHIKEY SECXISVLQFMRJM-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID6020856 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO003350.txt b/Keio_Univ/MSBNK-Keio_Univ-KO003350.txt index 0c063b40c4d..ecbfac4fb71 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO003350.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO003350.txt @@ -16,7 +16,7 @@ CH$LINK: CAS 872-50-4 CH$LINK: CHEBI CHEBI:7307 CH$LINK: KEGG C11118 CH$LINK: NIKKAJI J26.033I -CH$LINK: PUBCHEM SID:13300 +CH$LINK: PUBCHEM CID:13387 CH$LINK: INCHIKEY SECXISVLQFMRJM-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID6020856 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO003351.txt b/Keio_Univ/MSBNK-Keio_Univ-KO003351.txt index 14a903ab2f3..a2535bbad73 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO003351.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO003351.txt @@ -16,7 +16,7 @@ CH$LINK: CAS 872-50-4 CH$LINK: CHEBI CHEBI:7307 CH$LINK: KEGG C11118 CH$LINK: NIKKAJI J26.033I -CH$LINK: PUBCHEM SID:13300 +CH$LINK: PUBCHEM CID:13387 CH$LINK: INCHIKEY SECXISVLQFMRJM-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID6020856 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO003357.txt b/Keio_Univ/MSBNK-Keio_Univ-KO003357.txt index b9243e3c8a9..abf46c92732 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO003357.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO003357.txt @@ -16,7 +16,7 @@ CH$LINK: CAS 3913-67-5 CH$LINK: CHEBI CHEBI:17519 CH$LINK: KEGG C02721 CH$LINK: NIKKAJI J130.628F -CH$LINK: PUBCHEM SID:5683 +CH$LINK: PUBCHEM CID:5288725 CH$LINK: INCHIKEY GDFAOVXKHJXLEI-VKHMYHEASA-N CH$LINK: COMPTOX DTXSID30959936 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO003358.txt b/Keio_Univ/MSBNK-Keio_Univ-KO003358.txt index 75d593932cb..7649b1fb563 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO003358.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO003358.txt @@ -16,7 +16,7 @@ CH$LINK: CAS 3913-67-5 CH$LINK: CHEBI CHEBI:17519 CH$LINK: KEGG C02721 CH$LINK: NIKKAJI J130.628F -CH$LINK: PUBCHEM SID:5683 +CH$LINK: PUBCHEM CID:5288725 CH$LINK: INCHIKEY GDFAOVXKHJXLEI-VKHMYHEASA-N CH$LINK: COMPTOX DTXSID30959936 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO003359.txt b/Keio_Univ/MSBNK-Keio_Univ-KO003359.txt index 173046916b3..1ec400aa5b0 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO003359.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO003359.txt @@ -16,7 +16,7 @@ CH$LINK: CAS 3913-67-5 CH$LINK: CHEBI CHEBI:17519 CH$LINK: KEGG C02721 CH$LINK: NIKKAJI J130.628F -CH$LINK: PUBCHEM SID:5683 +CH$LINK: PUBCHEM CID:5288725 CH$LINK: INCHIKEY GDFAOVXKHJXLEI-VKHMYHEASA-N CH$LINK: COMPTOX DTXSID30959936 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO003360.txt b/Keio_Univ/MSBNK-Keio_Univ-KO003360.txt index 969cd934cba..d74bf3d382d 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO003360.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO003360.txt @@ -16,7 +16,7 @@ CH$LINK: CAS 3913-67-5 CH$LINK: CHEBI CHEBI:17519 CH$LINK: KEGG C02721 CH$LINK: NIKKAJI J130.628F -CH$LINK: PUBCHEM SID:5683 +CH$LINK: PUBCHEM CID:5288725 CH$LINK: INCHIKEY GDFAOVXKHJXLEI-VKHMYHEASA-N CH$LINK: COMPTOX DTXSID30959936 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO003361.txt b/Keio_Univ/MSBNK-Keio_Univ-KO003361.txt index 242023c2876..92711793d8e 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO003361.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO003361.txt @@ -16,7 +16,7 @@ CH$LINK: CAS 3913-67-5 CH$LINK: CHEBI CHEBI:17519 CH$LINK: KEGG C02721 CH$LINK: NIKKAJI J130.628F -CH$LINK: PUBCHEM SID:5683 +CH$LINK: PUBCHEM CID:5288725 CH$LINK: INCHIKEY GDFAOVXKHJXLEI-VKHMYHEASA-N CH$LINK: COMPTOX DTXSID30959936 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO003362.txt b/Keio_Univ/MSBNK-Keio_Univ-KO003362.txt index 7add1d7b17f..e718d6d7045 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO003362.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO003362.txt @@ -13,7 +13,7 @@ CH$IUPAC: InChI=1S/C5H7N3O/c1-3-2-7-5(9)8-4(3)6/h2H,1H3,(H3,6,7,8,9) CH$LINK: CAS 554-01-8 CH$LINK: KEGG C02376 CH$LINK: NIKKAJI J9.416A -CH$LINK: PUBCHEM SID:5418 +CH$LINK: PUBCHEM CID:65040 CH$LINK: INCHIKEY LRSASMSXMSNRBT-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID50203948 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO003363.txt b/Keio_Univ/MSBNK-Keio_Univ-KO003363.txt index a29bba86617..82a6226277b 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO003363.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO003363.txt @@ -13,7 +13,7 @@ CH$IUPAC: InChI=1S/C5H7N3O/c1-3-2-7-5(9)8-4(3)6/h2H,1H3,(H3,6,7,8,9) CH$LINK: CAS 554-01-8 CH$LINK: KEGG C02376 CH$LINK: NIKKAJI J9.416A -CH$LINK: PUBCHEM SID:5418 +CH$LINK: PUBCHEM CID:65040 CH$LINK: INCHIKEY LRSASMSXMSNRBT-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID50203948 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO003364.txt b/Keio_Univ/MSBNK-Keio_Univ-KO003364.txt index f74cf901bf5..3ae31832668 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO003364.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO003364.txt @@ -13,7 +13,7 @@ CH$IUPAC: InChI=1S/C5H7N3O/c1-3-2-7-5(9)8-4(3)6/h2H,1H3,(H3,6,7,8,9) CH$LINK: CAS 554-01-8 CH$LINK: KEGG C02376 CH$LINK: NIKKAJI J9.416A -CH$LINK: PUBCHEM SID:5418 +CH$LINK: PUBCHEM CID:65040 CH$LINK: INCHIKEY LRSASMSXMSNRBT-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID50203948 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO003365.txt b/Keio_Univ/MSBNK-Keio_Univ-KO003365.txt index e02bd381a0c..02247d777cb 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO003365.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO003365.txt @@ -13,7 +13,7 @@ CH$IUPAC: InChI=1S/C5H7N3O/c1-3-2-7-5(9)8-4(3)6/h2H,1H3,(H3,6,7,8,9) CH$LINK: CAS 554-01-8 CH$LINK: KEGG C02376 CH$LINK: NIKKAJI J9.416A -CH$LINK: PUBCHEM SID:5418 +CH$LINK: PUBCHEM CID:65040 CH$LINK: INCHIKEY LRSASMSXMSNRBT-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID50203948 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO003366.txt b/Keio_Univ/MSBNK-Keio_Univ-KO003366.txt index 64e6fef7c23..3517ab42aa8 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO003366.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO003366.txt @@ -13,7 +13,7 @@ CH$IUPAC: InChI=1S/C5H7N3O/c1-3-2-7-5(9)8-4(3)6/h2H,1H3,(H3,6,7,8,9) CH$LINK: CAS 554-01-8 CH$LINK: KEGG C02376 CH$LINK: NIKKAJI J9.416A -CH$LINK: PUBCHEM SID:5418 +CH$LINK: PUBCHEM CID:65040 CH$LINK: INCHIKEY LRSASMSXMSNRBT-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID50203948 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO003382.txt b/Keio_Univ/MSBNK-Keio_Univ-KO003382.txt index f753b3d537e..12db5775bee 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO003382.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO003382.txt @@ -15,7 +15,7 @@ CH$LINK: CAS 28289-54-5 CH$LINK: CHEBI CHEBI:17963 CH$LINK: KEGG C04599 CH$LINK: NIKKAJI J22.909A -CH$LINK: PUBCHEM SID:7196 +CH$LINK: PUBCHEM CID:1388 CH$LINK: INCHIKEY PLRACCBDVIHHLZ-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID8040933 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO003383.txt b/Keio_Univ/MSBNK-Keio_Univ-KO003383.txt index 6fb59391811..d0eb6841054 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO003383.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO003383.txt @@ -15,7 +15,7 @@ CH$LINK: CAS 28289-54-5 CH$LINK: CHEBI CHEBI:17963 CH$LINK: KEGG C04599 CH$LINK: NIKKAJI J22.909A -CH$LINK: PUBCHEM SID:7196 +CH$LINK: PUBCHEM CID:1388 CH$LINK: INCHIKEY PLRACCBDVIHHLZ-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID8040933 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO003384.txt b/Keio_Univ/MSBNK-Keio_Univ-KO003384.txt index 5ded3dcb094..2e31600c503 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO003384.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO003384.txt @@ -15,7 +15,7 @@ CH$LINK: CAS 28289-54-5 CH$LINK: CHEBI CHEBI:17963 CH$LINK: KEGG C04599 CH$LINK: NIKKAJI J22.909A -CH$LINK: PUBCHEM SID:7196 +CH$LINK: PUBCHEM CID:1388 CH$LINK: INCHIKEY PLRACCBDVIHHLZ-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID8040933 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO003385.txt b/Keio_Univ/MSBNK-Keio_Univ-KO003385.txt index d2118210fdc..747ebb572e4 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO003385.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO003385.txt @@ -15,7 +15,7 @@ CH$LINK: CAS 28289-54-5 CH$LINK: CHEBI CHEBI:17963 CH$LINK: KEGG C04599 CH$LINK: NIKKAJI J22.909A -CH$LINK: PUBCHEM SID:7196 +CH$LINK: PUBCHEM CID:1388 CH$LINK: INCHIKEY PLRACCBDVIHHLZ-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID8040933 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO003386.txt b/Keio_Univ/MSBNK-Keio_Univ-KO003386.txt index ae7748f6fe9..6c0af0cebfd 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO003386.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO003386.txt @@ -15,7 +15,7 @@ CH$LINK: CAS 28289-54-5 CH$LINK: CHEBI CHEBI:17963 CH$LINK: KEGG C04599 CH$LINK: NIKKAJI J22.909A -CH$LINK: PUBCHEM SID:7196 +CH$LINK: PUBCHEM CID:1388 CH$LINK: INCHIKEY PLRACCBDVIHHLZ-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID8040933 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO003392.txt b/Keio_Univ/MSBNK-Keio_Univ-KO003392.txt index 9b5731309a0..15eeb08ffe0 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO003392.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO003392.txt @@ -13,7 +13,7 @@ CH$IUPAC: InChI=1S/C12H9N3O/c1-8-11(9-2-4-14-5-3-9)6-10(7-13)12(16)15-8/h2-6H,1H CH$LINK: CAS 78415-72-2 CH$LINK: KEGG C07224 CH$LINK: NIKKAJI J23.655A -CH$LINK: PUBCHEM SID:9433 +CH$LINK: PUBCHEM CID:4197 CH$LINK: INCHIKEY PZRHRDRVRGEVNW-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID5023324 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO003393.txt b/Keio_Univ/MSBNK-Keio_Univ-KO003393.txt index bc3574c0151..24e14e6d99d 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO003393.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO003393.txt @@ -13,7 +13,7 @@ CH$IUPAC: InChI=1S/C12H9N3O/c1-8-11(9-2-4-14-5-3-9)6-10(7-13)12(16)15-8/h2-6H,1H CH$LINK: CAS 78415-72-2 CH$LINK: KEGG C07224 CH$LINK: NIKKAJI J23.655A -CH$LINK: PUBCHEM SID:9433 +CH$LINK: PUBCHEM CID:4197 CH$LINK: INCHIKEY PZRHRDRVRGEVNW-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID5023324 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO003394.txt b/Keio_Univ/MSBNK-Keio_Univ-KO003394.txt index 86475c0ec1e..54048f898f3 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO003394.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO003394.txt @@ -13,7 +13,7 @@ CH$IUPAC: InChI=1S/C12H9N3O/c1-8-11(9-2-4-14-5-3-9)6-10(7-13)12(16)15-8/h2-6H,1H CH$LINK: CAS 78415-72-2 CH$LINK: KEGG C07224 CH$LINK: NIKKAJI J23.655A -CH$LINK: PUBCHEM SID:9433 +CH$LINK: PUBCHEM CID:4197 CH$LINK: INCHIKEY PZRHRDRVRGEVNW-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID5023324 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO003395.txt b/Keio_Univ/MSBNK-Keio_Univ-KO003395.txt index 3ad8b173dd3..caf163b63b8 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO003395.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO003395.txt @@ -13,7 +13,7 @@ CH$IUPAC: InChI=1S/C12H9N3O/c1-8-11(9-2-4-14-5-3-9)6-10(7-13)12(16)15-8/h2-6H,1H CH$LINK: CAS 78415-72-2 CH$LINK: KEGG C07224 CH$LINK: NIKKAJI J23.655A -CH$LINK: PUBCHEM SID:9433 +CH$LINK: PUBCHEM CID:4197 CH$LINK: INCHIKEY PZRHRDRVRGEVNW-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID5023324 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO003396.txt b/Keio_Univ/MSBNK-Keio_Univ-KO003396.txt index 0776acd4e86..6493085af97 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO003396.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO003396.txt @@ -13,7 +13,7 @@ CH$IUPAC: InChI=1S/C12H9N3O/c1-8-11(9-2-4-14-5-3-9)6-10(7-13)12(16)15-8/h2-6H,1H CH$LINK: CAS 78415-72-2 CH$LINK: KEGG C07224 CH$LINK: NIKKAJI J23.655A -CH$LINK: PUBCHEM SID:9433 +CH$LINK: PUBCHEM CID:4197 CH$LINK: INCHIKEY PZRHRDRVRGEVNW-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID5023324 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO003397.txt b/Keio_Univ/MSBNK-Keio_Univ-KO003397.txt index 1b73412d9b4..93331d5ea36 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO003397.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO003397.txt @@ -14,7 +14,7 @@ CH$IUPAC: InChI=1S/C11H21N/c1-10(2)8-5-6-9(7-8)11(10,3)12-4/h8-9,12H,5-7H2,1-4H3 CH$LINK: CAS 60-40-2 CH$LINK: KEGG C07511 CH$LINK: NIKKAJI J4.802J -CH$LINK: PUBCHEM SID:9714 +CH$LINK: PUBCHEM CID:4032 CH$LINK: INCHIKEY IMYZQPCYWPFTAG-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID0023240 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO003398.txt b/Keio_Univ/MSBNK-Keio_Univ-KO003398.txt index 6c69dd86341..2d7fef1b7c9 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO003398.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO003398.txt @@ -14,7 +14,7 @@ CH$IUPAC: InChI=1S/C11H21N/c1-10(2)8-5-6-9(7-8)11(10,3)12-4/h8-9,12H,5-7H2,1-4H3 CH$LINK: CAS 60-40-2 CH$LINK: KEGG C07511 CH$LINK: NIKKAJI J4.802J -CH$LINK: PUBCHEM SID:9714 +CH$LINK: PUBCHEM CID:4032 CH$LINK: INCHIKEY IMYZQPCYWPFTAG-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID0023240 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO003399.txt b/Keio_Univ/MSBNK-Keio_Univ-KO003399.txt index 7487b9200ac..4e2bf325d46 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO003399.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO003399.txt @@ -14,7 +14,7 @@ CH$IUPAC: InChI=1S/C11H21N/c1-10(2)8-5-6-9(7-8)11(10,3)12-4/h8-9,12H,5-7H2,1-4H3 CH$LINK: CAS 60-40-2 CH$LINK: KEGG C07511 CH$LINK: NIKKAJI J4.802J -CH$LINK: PUBCHEM SID:9714 +CH$LINK: PUBCHEM CID:4032 CH$LINK: INCHIKEY IMYZQPCYWPFTAG-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID0023240 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO003400.txt b/Keio_Univ/MSBNK-Keio_Univ-KO003400.txt index 43148a31596..47809eb13a2 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO003400.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO003400.txt @@ -14,7 +14,7 @@ CH$IUPAC: InChI=1S/C11H21N/c1-10(2)8-5-6-9(7-8)11(10,3)12-4/h8-9,12H,5-7H2,1-4H3 CH$LINK: CAS 60-40-2 CH$LINK: KEGG C07511 CH$LINK: NIKKAJI J4.802J -CH$LINK: PUBCHEM SID:9714 +CH$LINK: PUBCHEM CID:4032 CH$LINK: INCHIKEY IMYZQPCYWPFTAG-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID0023240 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO003401.txt b/Keio_Univ/MSBNK-Keio_Univ-KO003401.txt index 956857e831d..8b939589dd7 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO003401.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO003401.txt @@ -14,7 +14,7 @@ CH$IUPAC: InChI=1S/C11H21N/c1-10(2)8-5-6-9(7-8)11(10,3)12-4/h8-9,12H,5-7H2,1-4H3 CH$LINK: CAS 60-40-2 CH$LINK: KEGG C07511 CH$LINK: NIKKAJI J4.802J -CH$LINK: PUBCHEM SID:9714 +CH$LINK: PUBCHEM CID:4032 CH$LINK: INCHIKEY IMYZQPCYWPFTAG-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID0023240 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO003402.txt b/Keio_Univ/MSBNK-Keio_Univ-KO003402.txt index 7712495d4d7..b7e9b1c86ba 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO003402.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO003402.txt @@ -13,7 +13,7 @@ CH$IUPAC: InChI=1S/C11H14N2O/c1-14-9-2-3-11-10(6-9)8(4-5-12)7-13-11/h2-3,6-7,13H CH$LINK: CAS 608-07-1 CH$LINK: KEGG C05659 CH$LINK: NIKKAJI J7.009B -CH$LINK: PUBCHEM SID:7970 +CH$LINK: PUBCHEM CID:1833 CH$LINK: INCHIKEY JTEJPPKMYBDEMY-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID60209638 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO003403.txt b/Keio_Univ/MSBNK-Keio_Univ-KO003403.txt index 969e9d7001c..cd4fdf8bca0 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO003403.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO003403.txt @@ -13,7 +13,7 @@ CH$IUPAC: InChI=1S/C11H14N2O/c1-14-9-2-3-11-10(6-9)8(4-5-12)7-13-11/h2-3,6-7,13H CH$LINK: CAS 608-07-1 CH$LINK: KEGG C05659 CH$LINK: NIKKAJI J7.009B -CH$LINK: PUBCHEM SID:7970 +CH$LINK: PUBCHEM CID:1833 CH$LINK: INCHIKEY JTEJPPKMYBDEMY-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID60209638 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO003404.txt b/Keio_Univ/MSBNK-Keio_Univ-KO003404.txt index 2b5c1169262..379e2d7a37b 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO003404.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO003404.txt @@ -13,7 +13,7 @@ CH$IUPAC: InChI=1S/C11H14N2O/c1-14-9-2-3-11-10(6-9)8(4-5-12)7-13-11/h2-3,6-7,13H CH$LINK: CAS 608-07-1 CH$LINK: KEGG C05659 CH$LINK: NIKKAJI J7.009B -CH$LINK: PUBCHEM SID:7970 +CH$LINK: PUBCHEM CID:1833 CH$LINK: INCHIKEY JTEJPPKMYBDEMY-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID60209638 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO003405.txt b/Keio_Univ/MSBNK-Keio_Univ-KO003405.txt index 70c845db11d..110d7132466 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO003405.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO003405.txt @@ -13,7 +13,7 @@ CH$IUPAC: InChI=1S/C11H14N2O/c1-14-9-2-3-11-10(6-9)8(4-5-12)7-13-11/h2-3,6-7,13H CH$LINK: CAS 608-07-1 CH$LINK: KEGG C05659 CH$LINK: NIKKAJI J7.009B -CH$LINK: PUBCHEM SID:7970 +CH$LINK: PUBCHEM CID:1833 CH$LINK: INCHIKEY JTEJPPKMYBDEMY-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID60209638 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO003406.txt b/Keio_Univ/MSBNK-Keio_Univ-KO003406.txt index 41848d11b7e..a4d9aeb3473 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO003406.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO003406.txt @@ -13,7 +13,7 @@ CH$IUPAC: InChI=1S/C11H14N2O/c1-14-9-2-3-11-10(6-9)8(4-5-12)7-13-11/h2-3,6-7,13H CH$LINK: CAS 608-07-1 CH$LINK: KEGG C05659 CH$LINK: NIKKAJI J7.009B -CH$LINK: PUBCHEM SID:7970 +CH$LINK: PUBCHEM CID:1833 CH$LINK: INCHIKEY JTEJPPKMYBDEMY-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID60209638 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO003407.txt b/Keio_Univ/MSBNK-Keio_Univ-KO003407.txt index 30cc45791ba..891fdf8b026 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO003407.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO003407.txt @@ -14,7 +14,7 @@ CH$IUPAC: InChI=1S/C6H7N5O/c1-11-4-3(8-2-9-4)5(12)10-6(11)7/h2H,1H3,(H,8,9)(H2,7 CH$LINK: CAS 2958-98-7 CH$LINK: KEGG C02230 CH$LINK: NIKKAJI J101.565F -CH$LINK: PUBCHEM SID:5294 +CH$LINK: PUBCHEM CID:76292 CH$LINK: INCHIKEY XHBSBNYEHDQRCP-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID90183755 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO003408.txt b/Keio_Univ/MSBNK-Keio_Univ-KO003408.txt index 92bc6365d6a..5a68d3864dc 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO003408.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO003408.txt @@ -14,7 +14,7 @@ CH$IUPAC: InChI=1S/C6H7N5O/c1-11-4-3(8-2-9-4)5(12)10-6(11)7/h2H,1H3,(H,8,9)(H2,7 CH$LINK: CAS 2958-98-7 CH$LINK: KEGG C02230 CH$LINK: NIKKAJI J101.565F -CH$LINK: PUBCHEM SID:5294 +CH$LINK: PUBCHEM CID:76292 CH$LINK: INCHIKEY XHBSBNYEHDQRCP-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID90183755 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO003409.txt b/Keio_Univ/MSBNK-Keio_Univ-KO003409.txt index 7421c0e1ca7..18d0d3aeba8 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO003409.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO003409.txt @@ -14,7 +14,7 @@ CH$IUPAC: InChI=1S/C6H7N5O/c1-11-4-3(8-2-9-4)5(12)10-6(11)7/h2H,1H3,(H,8,9)(H2,7 CH$LINK: CAS 2958-98-7 CH$LINK: KEGG C02230 CH$LINK: NIKKAJI J101.565F -CH$LINK: PUBCHEM SID:5294 +CH$LINK: PUBCHEM CID:76292 CH$LINK: INCHIKEY XHBSBNYEHDQRCP-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID90183755 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO003410.txt b/Keio_Univ/MSBNK-Keio_Univ-KO003410.txt index 8d1522529a6..d77596b2d8c 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO003410.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO003410.txt @@ -14,7 +14,7 @@ CH$IUPAC: InChI=1S/C6H7N5O/c1-11-4-3(8-2-9-4)5(12)10-6(11)7/h2H,1H3,(H,8,9)(H2,7 CH$LINK: CAS 2958-98-7 CH$LINK: KEGG C02230 CH$LINK: NIKKAJI J101.565F -CH$LINK: PUBCHEM SID:5294 +CH$LINK: PUBCHEM CID:76292 CH$LINK: INCHIKEY XHBSBNYEHDQRCP-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID90183755 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO003411.txt b/Keio_Univ/MSBNK-Keio_Univ-KO003411.txt index 7438c56ce99..79238c638b3 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO003411.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO003411.txt @@ -14,7 +14,7 @@ CH$IUPAC: InChI=1S/C6H7N5O/c1-11-4-3(8-2-9-4)5(12)10-6(11)7/h2H,1H3,(H,8,9)(H2,7 CH$LINK: CAS 2958-98-7 CH$LINK: KEGG C02230 CH$LINK: NIKKAJI J101.565F -CH$LINK: PUBCHEM SID:5294 +CH$LINK: PUBCHEM CID:76292 CH$LINK: INCHIKEY XHBSBNYEHDQRCP-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID90183755 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO003412.txt b/Keio_Univ/MSBNK-Keio_Univ-KO003412.txt index 5bbb3f0cc4d..1c9db4b30af 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO003412.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO003412.txt @@ -13,7 +13,7 @@ CH$IUPAC: InChI=1S/C6H7N5O/c1-11-2-8-4-3(11)5(12)10-6(7)9-4/h2H,1H3,(H3,7,9,10,1 CH$LINK: CAS 578-76-7 CH$LINK: KEGG C02242 CH$LINK: NIKKAJI J101.566D -CH$LINK: PUBCHEM SID:5305 +CH$LINK: PUBCHEM CID:135398679 CH$LINK: INCHIKEY FZWGECJQACGGTI-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID9020873 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO003413.txt b/Keio_Univ/MSBNK-Keio_Univ-KO003413.txt index c2a4a3163d8..86306a1bded 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO003413.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO003413.txt @@ -13,7 +13,7 @@ CH$IUPAC: InChI=1S/C6H7N5O/c1-11-2-8-4-3(11)5(12)10-6(7)9-4/h2H,1H3,(H3,7,9,10,1 CH$LINK: CAS 578-76-7 CH$LINK: KEGG C02242 CH$LINK: NIKKAJI J101.566D -CH$LINK: PUBCHEM SID:5305 +CH$LINK: PUBCHEM CID:135398679 CH$LINK: INCHIKEY FZWGECJQACGGTI-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID9020873 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO003414.txt b/Keio_Univ/MSBNK-Keio_Univ-KO003414.txt index 0b4203de4c5..1d48fd82d50 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO003414.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO003414.txt @@ -13,7 +13,7 @@ CH$IUPAC: InChI=1S/C6H7N5O/c1-11-2-8-4-3(11)5(12)10-6(7)9-4/h2H,1H3,(H3,7,9,10,1 CH$LINK: CAS 578-76-7 CH$LINK: KEGG C02242 CH$LINK: NIKKAJI J101.566D -CH$LINK: PUBCHEM SID:5305 +CH$LINK: PUBCHEM CID:135398679 CH$LINK: INCHIKEY FZWGECJQACGGTI-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID9020873 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO003415.txt b/Keio_Univ/MSBNK-Keio_Univ-KO003415.txt index 6e0074cf378..d3535460a07 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO003415.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO003415.txt @@ -13,7 +13,7 @@ CH$IUPAC: InChI=1S/C6H7N5O/c1-11-2-8-4-3(11)5(12)10-6(7)9-4/h2H,1H3,(H3,7,9,10,1 CH$LINK: CAS 578-76-7 CH$LINK: KEGG C02242 CH$LINK: NIKKAJI J101.566D -CH$LINK: PUBCHEM SID:5305 +CH$LINK: PUBCHEM CID:135398679 CH$LINK: INCHIKEY FZWGECJQACGGTI-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID9020873 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO003416.txt b/Keio_Univ/MSBNK-Keio_Univ-KO003416.txt index d5e2d61e93a..bc372c41de7 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO003416.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO003416.txt @@ -13,7 +13,7 @@ CH$IUPAC: InChI=1S/C6H7N5O/c1-11-2-8-4-3(11)5(12)10-6(7)9-4/h2H,1H3,(H3,7,9,10,1 CH$LINK: CAS 578-76-7 CH$LINK: KEGG C02242 CH$LINK: NIKKAJI J101.566D -CH$LINK: PUBCHEM SID:5305 +CH$LINK: PUBCHEM CID:135398679 CH$LINK: INCHIKEY FZWGECJQACGGTI-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID9020873 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO003427.txt b/Keio_Univ/MSBNK-Keio_Univ-KO003427.txt index 78883c1b0ff..627d56aae3e 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO003427.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO003427.txt @@ -14,7 +14,7 @@ CH$LINK: CAS 15763-06-1 CH$LINK: CHEBI CHEBI:16020 CH$LINK: KEGG C02494 CH$LINK: NIKKAJI J130.848C -CH$LINK: PUBCHEM SID:5506 +CH$LINK: PUBCHEM CID:27476 CH$LINK: INCHIKEY GFYLSDSUCHVORB-IOSLPCCCSA-N CH$LINK: COMPTOX DTXSID30864632 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO003428.txt b/Keio_Univ/MSBNK-Keio_Univ-KO003428.txt index 716c454004b..e32f79a4984 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO003428.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO003428.txt @@ -14,7 +14,7 @@ CH$LINK: CAS 15763-06-1 CH$LINK: CHEBI CHEBI:16020 CH$LINK: KEGG C02494 CH$LINK: NIKKAJI J130.848C -CH$LINK: PUBCHEM SID:5506 +CH$LINK: PUBCHEM CID:27476 CH$LINK: INCHIKEY GFYLSDSUCHVORB-IOSLPCCCSA-N CH$LINK: COMPTOX DTXSID30864632 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO003429.txt b/Keio_Univ/MSBNK-Keio_Univ-KO003429.txt index a8c673dba04..a34ddea8c07 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO003429.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO003429.txt @@ -14,7 +14,7 @@ CH$LINK: CAS 15763-06-1 CH$LINK: CHEBI CHEBI:16020 CH$LINK: KEGG C02494 CH$LINK: NIKKAJI J130.848C -CH$LINK: PUBCHEM SID:5506 +CH$LINK: PUBCHEM CID:27476 CH$LINK: INCHIKEY GFYLSDSUCHVORB-IOSLPCCCSA-N CH$LINK: COMPTOX DTXSID30864632 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO003430.txt b/Keio_Univ/MSBNK-Keio_Univ-KO003430.txt index 5735817b404..f93ae80de06 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO003430.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO003430.txt @@ -14,7 +14,7 @@ CH$LINK: CAS 15763-06-1 CH$LINK: CHEBI CHEBI:16020 CH$LINK: KEGG C02494 CH$LINK: NIKKAJI J130.848C -CH$LINK: PUBCHEM SID:5506 +CH$LINK: PUBCHEM CID:27476 CH$LINK: INCHIKEY GFYLSDSUCHVORB-IOSLPCCCSA-N CH$LINK: COMPTOX DTXSID30864632 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO003431.txt b/Keio_Univ/MSBNK-Keio_Univ-KO003431.txt index 2d853be3950..2e4709e4557 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO003431.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO003431.txt @@ -14,7 +14,7 @@ CH$LINK: CAS 15763-06-1 CH$LINK: CHEBI CHEBI:16020 CH$LINK: KEGG C02494 CH$LINK: NIKKAJI J130.848C -CH$LINK: PUBCHEM SID:5506 +CH$LINK: PUBCHEM CID:27476 CH$LINK: INCHIKEY GFYLSDSUCHVORB-IOSLPCCCSA-N CH$LINK: COMPTOX DTXSID30864632 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO003432.txt b/Keio_Univ/MSBNK-Keio_Univ-KO003432.txt index 632a5ee8fc2..e0d2db1ccd8 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO003432.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO003432.txt @@ -15,7 +15,7 @@ CH$LINK: CAS 73-31-4 CH$LINK: CHEBI CHEBI:16796 CH$LINK: KEGG C01598 CH$LINK: NIKKAJI J5.258B -CH$LINK: PUBCHEM SID:4752 +CH$LINK: PUBCHEM CID:896 CH$LINK: INCHIKEY DRLFMBDRBRZALE-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID1022421 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO003433.txt b/Keio_Univ/MSBNK-Keio_Univ-KO003433.txt index 44f60309f73..f24251bf721 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO003433.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO003433.txt @@ -15,7 +15,7 @@ CH$LINK: CAS 73-31-4 CH$LINK: CHEBI CHEBI:16796 CH$LINK: KEGG C01598 CH$LINK: NIKKAJI J5.258B -CH$LINK: PUBCHEM SID:4752 +CH$LINK: PUBCHEM CID:896 CH$LINK: INCHIKEY DRLFMBDRBRZALE-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID1022421 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO003434.txt b/Keio_Univ/MSBNK-Keio_Univ-KO003434.txt index e0caf29e1bf..28bafd7f174 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO003434.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO003434.txt @@ -15,7 +15,7 @@ CH$LINK: CAS 73-31-4 CH$LINK: CHEBI CHEBI:16796 CH$LINK: KEGG C01598 CH$LINK: NIKKAJI J5.258B -CH$LINK: PUBCHEM SID:4752 +CH$LINK: PUBCHEM CID:896 CH$LINK: INCHIKEY DRLFMBDRBRZALE-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID1022421 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO003435.txt b/Keio_Univ/MSBNK-Keio_Univ-KO003435.txt index 03deadc213c..6921daf1b00 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO003435.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO003435.txt @@ -15,7 +15,7 @@ CH$LINK: CAS 73-31-4 CH$LINK: CHEBI CHEBI:16796 CH$LINK: KEGG C01598 CH$LINK: NIKKAJI J5.258B -CH$LINK: PUBCHEM SID:4752 +CH$LINK: PUBCHEM CID:896 CH$LINK: INCHIKEY DRLFMBDRBRZALE-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID1022421 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO003436.txt b/Keio_Univ/MSBNK-Keio_Univ-KO003436.txt index 54e7673e7b1..e8c4572d693 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO003436.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO003436.txt @@ -15,7 +15,7 @@ CH$LINK: CAS 73-31-4 CH$LINK: CHEBI CHEBI:16796 CH$LINK: KEGG C01598 CH$LINK: NIKKAJI J5.258B -CH$LINK: PUBCHEM SID:4752 +CH$LINK: PUBCHEM CID:896 CH$LINK: INCHIKEY DRLFMBDRBRZALE-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID1022421 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO003437.txt b/Keio_Univ/MSBNK-Keio_Univ-KO003437.txt index e2df8f9c277..d74c5e613a0 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO003437.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO003437.txt @@ -15,7 +15,7 @@ CH$LINK: CAS 50-44-2 CH$LINK: CHEBI CHEBI:2208 CH$LINK: KEGG C02380 CH$LINK: NIKKAJI J2.298E -CH$LINK: PUBCHEM SID:5422 +CH$LINK: PUBCHEM CID:667490 CH$LINK: INCHIKEY GLVAUDGFNGKCSF-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID0020810 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO003438.txt b/Keio_Univ/MSBNK-Keio_Univ-KO003438.txt index 4bbfaa3a9a7..d8f310250c4 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO003438.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO003438.txt @@ -15,7 +15,7 @@ CH$LINK: CAS 50-44-2 CH$LINK: CHEBI CHEBI:2208 CH$LINK: KEGG C02380 CH$LINK: NIKKAJI J2.298E -CH$LINK: PUBCHEM SID:5422 +CH$LINK: PUBCHEM CID:667490 CH$LINK: INCHIKEY GLVAUDGFNGKCSF-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID0020810 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO003439.txt b/Keio_Univ/MSBNK-Keio_Univ-KO003439.txt index 83589faf734..d5df1dd16e2 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO003439.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO003439.txt @@ -15,7 +15,7 @@ CH$LINK: CAS 50-44-2 CH$LINK: CHEBI CHEBI:2208 CH$LINK: KEGG C02380 CH$LINK: NIKKAJI J2.298E -CH$LINK: PUBCHEM SID:5422 +CH$LINK: PUBCHEM CID:667490 CH$LINK: INCHIKEY GLVAUDGFNGKCSF-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID0020810 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO003440.txt b/Keio_Univ/MSBNK-Keio_Univ-KO003440.txt index f48e4a95e3b..88961a920b3 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO003440.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO003440.txt @@ -15,7 +15,7 @@ CH$LINK: CAS 50-44-2 CH$LINK: CHEBI CHEBI:2208 CH$LINK: KEGG C02380 CH$LINK: NIKKAJI J2.298E -CH$LINK: PUBCHEM SID:5422 +CH$LINK: PUBCHEM CID:667490 CH$LINK: INCHIKEY GLVAUDGFNGKCSF-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID0020810 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO003441.txt b/Keio_Univ/MSBNK-Keio_Univ-KO003441.txt index 1adc1ff3746..8f3170b7755 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO003441.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO003441.txt @@ -15,7 +15,7 @@ CH$LINK: CAS 50-44-2 CH$LINK: CHEBI CHEBI:2208 CH$LINK: KEGG C02380 CH$LINK: NIKKAJI J2.298E -CH$LINK: PUBCHEM SID:5422 +CH$LINK: PUBCHEM CID:667490 CH$LINK: INCHIKEY GLVAUDGFNGKCSF-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID0020810 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO003442.txt b/Keio_Univ/MSBNK-Keio_Univ-KO003442.txt index 043f7d46ccf..f48797ed6a7 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO003442.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO003442.txt @@ -14,7 +14,7 @@ CH$LINK: CAS 3106-60-3 CH$LINK: CHEBI CHEBI:16797 CH$LINK: KEGG C02918 CH$LINK: NIKKAJI J66.624F -CH$LINK: PUBCHEM SID:5841 +CH$LINK: PUBCHEM CID:457 CH$LINK: INCHIKEY LDHMAVIPBRSVRG-UHFFFAOYSA-O CH$LINK: COMPTOX DTXSID10185019 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO003443.txt b/Keio_Univ/MSBNK-Keio_Univ-KO003443.txt index 8531f0bbba6..8a0a377a44b 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO003443.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO003443.txt @@ -14,7 +14,7 @@ CH$LINK: CAS 3106-60-3 CH$LINK: CHEBI CHEBI:16797 CH$LINK: KEGG C02918 CH$LINK: NIKKAJI J66.624F -CH$LINK: PUBCHEM SID:5841 +CH$LINK: PUBCHEM CID:457 CH$LINK: INCHIKEY LDHMAVIPBRSVRG-UHFFFAOYSA-O CH$LINK: COMPTOX DTXSID10185019 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO003444.txt b/Keio_Univ/MSBNK-Keio_Univ-KO003444.txt index 7e0171487b7..0d998bd2549 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO003444.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO003444.txt @@ -14,7 +14,7 @@ CH$LINK: CAS 3106-60-3 CH$LINK: CHEBI CHEBI:16797 CH$LINK: KEGG C02918 CH$LINK: NIKKAJI J66.624F -CH$LINK: PUBCHEM SID:5841 +CH$LINK: PUBCHEM CID:457 CH$LINK: INCHIKEY LDHMAVIPBRSVRG-UHFFFAOYSA-O CH$LINK: COMPTOX DTXSID10185019 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO003445.txt b/Keio_Univ/MSBNK-Keio_Univ-KO003445.txt index b5c48c03e1c..ad052b69e8e 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO003445.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO003445.txt @@ -14,7 +14,7 @@ CH$LINK: CAS 3106-60-3 CH$LINK: CHEBI CHEBI:16797 CH$LINK: KEGG C02918 CH$LINK: NIKKAJI J66.624F -CH$LINK: PUBCHEM SID:5841 +CH$LINK: PUBCHEM CID:457 CH$LINK: INCHIKEY LDHMAVIPBRSVRG-UHFFFAOYSA-O CH$LINK: COMPTOX DTXSID10185019 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO003446.txt b/Keio_Univ/MSBNK-Keio_Univ-KO003446.txt index 908b461da2c..654a43d4d33 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO003446.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO003446.txt @@ -14,7 +14,7 @@ CH$LINK: CAS 3106-60-3 CH$LINK: CHEBI CHEBI:16797 CH$LINK: KEGG C02918 CH$LINK: NIKKAJI J66.624F -CH$LINK: PUBCHEM SID:5841 +CH$LINK: PUBCHEM CID:457 CH$LINK: INCHIKEY LDHMAVIPBRSVRG-UHFFFAOYSA-O CH$LINK: COMPTOX DTXSID10185019 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO003447.txt b/Keio_Univ/MSBNK-Keio_Univ-KO003447.txt index 357be920dc6..30d20400217 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO003447.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO003447.txt @@ -15,7 +15,7 @@ CH$LINK: CAS 100-61-8 CH$LINK: CHEBI CHEBI:15733 CH$LINK: KEGG C02299 CH$LINK: NIKKAJI J3.591B -CH$LINK: PUBCHEM SID:5354 +CH$LINK: PUBCHEM CID:7515 CH$LINK: INCHIKEY AFBPFSWMIHJQDM-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID9021841 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO003448.txt b/Keio_Univ/MSBNK-Keio_Univ-KO003448.txt index 60f5eb96fda..192b346629e 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO003448.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO003448.txt @@ -15,7 +15,7 @@ CH$LINK: CAS 100-61-8 CH$LINK: CHEBI CHEBI:15733 CH$LINK: KEGG C02299 CH$LINK: NIKKAJI J3.591B -CH$LINK: PUBCHEM SID:5354 +CH$LINK: PUBCHEM CID:7515 CH$LINK: INCHIKEY AFBPFSWMIHJQDM-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID9021841 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO003449.txt b/Keio_Univ/MSBNK-Keio_Univ-KO003449.txt index f92bc8cbd7e..24c47a8ab6b 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO003449.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO003449.txt @@ -15,7 +15,7 @@ CH$LINK: CAS 100-61-8 CH$LINK: CHEBI CHEBI:15733 CH$LINK: KEGG C02299 CH$LINK: NIKKAJI J3.591B -CH$LINK: PUBCHEM SID:5354 +CH$LINK: PUBCHEM CID:7515 CH$LINK: INCHIKEY AFBPFSWMIHJQDM-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID9021841 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO003450.txt b/Keio_Univ/MSBNK-Keio_Univ-KO003450.txt index 3898ecdf5a0..8e1e986a227 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO003450.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO003450.txt @@ -15,7 +15,7 @@ CH$LINK: CAS 100-61-8 CH$LINK: CHEBI CHEBI:15733 CH$LINK: KEGG C02299 CH$LINK: NIKKAJI J3.591B -CH$LINK: PUBCHEM SID:5354 +CH$LINK: PUBCHEM CID:7515 CH$LINK: INCHIKEY AFBPFSWMIHJQDM-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID9021841 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO003451.txt b/Keio_Univ/MSBNK-Keio_Univ-KO003451.txt index 7201fe9f6e9..0e8060d0344 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO003451.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO003451.txt @@ -15,7 +15,7 @@ CH$LINK: CAS 100-61-8 CH$LINK: CHEBI CHEBI:15733 CH$LINK: KEGG C02299 CH$LINK: NIKKAJI J3.591B -CH$LINK: PUBCHEM SID:5354 +CH$LINK: PUBCHEM CID:7515 CH$LINK: INCHIKEY AFBPFSWMIHJQDM-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID9021841 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO003452.txt b/Keio_Univ/MSBNK-Keio_Univ-KO003452.txt index a65a437b26b..648444fc498 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO003452.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO003452.txt @@ -15,7 +15,7 @@ CH$SMILES: CN[C@@H](CCC(O)=O)C(O)=O CH$IUPAC: InChI=1S/C6H11NO4/c1-7-4(6(10)11)2-3-5(8)9/h4,7H,2-3H2,1H3,(H,8,9)(H,10,11)/t4-/m0/s1 CH$LINK: CHEBI CHEBI:16440 CH$LINK: KEGG C01046 -CH$LINK: PUBCHEM SID:4288 +CH$LINK: PUBCHEM CID:439377 CH$LINK: INCHIKEY XLBVNMSMFQMKEY-BYPYZUCNSA-N AC$INSTRUMENT: API3000, Applied Biosystems AC$INSTRUMENT_TYPE: LC-ESI-QQ diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO003453.txt b/Keio_Univ/MSBNK-Keio_Univ-KO003453.txt index 8d96b97ccd4..94ab29e5f0b 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO003453.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO003453.txt @@ -15,7 +15,7 @@ CH$SMILES: CN[C@@H](CCC(O)=O)C(O)=O CH$IUPAC: InChI=1S/C6H11NO4/c1-7-4(6(10)11)2-3-5(8)9/h4,7H,2-3H2,1H3,(H,8,9)(H,10,11)/t4-/m0/s1 CH$LINK: CHEBI CHEBI:16440 CH$LINK: KEGG C01046 -CH$LINK: PUBCHEM SID:4288 +CH$LINK: PUBCHEM CID:439377 CH$LINK: INCHIKEY XLBVNMSMFQMKEY-BYPYZUCNSA-N AC$INSTRUMENT: API3000, Applied Biosystems AC$INSTRUMENT_TYPE: LC-ESI-QQ diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO003454.txt b/Keio_Univ/MSBNK-Keio_Univ-KO003454.txt index 12d10376326..013b486d6f2 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO003454.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO003454.txt @@ -15,7 +15,7 @@ CH$SMILES: CN[C@@H](CCC(O)=O)C(O)=O CH$IUPAC: InChI=1S/C6H11NO4/c1-7-4(6(10)11)2-3-5(8)9/h4,7H,2-3H2,1H3,(H,8,9)(H,10,11)/t4-/m0/s1 CH$LINK: CHEBI CHEBI:16440 CH$LINK: KEGG C01046 -CH$LINK: PUBCHEM SID:4288 +CH$LINK: PUBCHEM CID:439377 CH$LINK: INCHIKEY XLBVNMSMFQMKEY-BYPYZUCNSA-N AC$INSTRUMENT: API3000, Applied Biosystems AC$INSTRUMENT_TYPE: LC-ESI-QQ diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO003455.txt b/Keio_Univ/MSBNK-Keio_Univ-KO003455.txt index 414e87e8be8..155aba7bcbf 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO003455.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO003455.txt @@ -15,7 +15,7 @@ CH$SMILES: CN[C@@H](CCC(O)=O)C(O)=O CH$IUPAC: InChI=1S/C6H11NO4/c1-7-4(6(10)11)2-3-5(8)9/h4,7H,2-3H2,1H3,(H,8,9)(H,10,11)/t4-/m0/s1 CH$LINK: CHEBI CHEBI:16440 CH$LINK: KEGG C01046 -CH$LINK: PUBCHEM SID:4288 +CH$LINK: PUBCHEM CID:439377 CH$LINK: INCHIKEY XLBVNMSMFQMKEY-BYPYZUCNSA-N AC$INSTRUMENT: API3000, Applied Biosystems AC$INSTRUMENT_TYPE: LC-ESI-QQ diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO003456.txt b/Keio_Univ/MSBNK-Keio_Univ-KO003456.txt index 4bde6e79d80..0aa8358ffb0 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO003456.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO003456.txt @@ -15,7 +15,7 @@ CH$SMILES: CN[C@@H](CCC(O)=O)C(O)=O CH$IUPAC: InChI=1S/C6H11NO4/c1-7-4(6(10)11)2-3-5(8)9/h4,7H,2-3H2,1H3,(H,8,9)(H,10,11)/t4-/m0/s1 CH$LINK: CHEBI CHEBI:16440 CH$LINK: KEGG C01046 -CH$LINK: PUBCHEM SID:4288 +CH$LINK: PUBCHEM CID:439377 CH$LINK: INCHIKEY XLBVNMSMFQMKEY-BYPYZUCNSA-N AC$INSTRUMENT: API3000, Applied Biosystems AC$INSTRUMENT_TYPE: LC-ESI-QQ diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO003457.txt b/Keio_Univ/MSBNK-Keio_Univ-KO003457.txt index d443bf9278c..4b366ce9bfb 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO003457.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO003457.txt @@ -14,7 +14,7 @@ CH$IUPAC: InChI=1S/C11H13N/c1-3-9-12(2)10-11-7-5-4-6-8-11/h1,4-8H,9-10H2,2H3 CH$LINK: CAS 555-57-7 CH$LINK: KEGG C07414 CH$LINK: NIKKAJI J6.471H -CH$LINK: PUBCHEM SID:9618 +CH$LINK: PUBCHEM CID:4688 CH$LINK: INCHIKEY DPWPWRLQFGFJFI-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID3023423 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO003458.txt b/Keio_Univ/MSBNK-Keio_Univ-KO003458.txt index 00ddd58a210..38b48593a6a 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO003458.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO003458.txt @@ -14,7 +14,7 @@ CH$IUPAC: InChI=1S/C11H13N/c1-3-9-12(2)10-11-7-5-4-6-8-11/h1,4-8H,9-10H2,2H3 CH$LINK: CAS 555-57-7 CH$LINK: KEGG C07414 CH$LINK: NIKKAJI J6.471H -CH$LINK: PUBCHEM SID:9618 +CH$LINK: PUBCHEM CID:4688 CH$LINK: INCHIKEY DPWPWRLQFGFJFI-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID3023423 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO003459.txt b/Keio_Univ/MSBNK-Keio_Univ-KO003459.txt index e6fd15e3c10..738320af9ac 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO003459.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO003459.txt @@ -14,7 +14,7 @@ CH$IUPAC: InChI=1S/C11H13N/c1-3-9-12(2)10-11-7-5-4-6-8-11/h1,4-8H,9-10H2,2H3 CH$LINK: CAS 555-57-7 CH$LINK: KEGG C07414 CH$LINK: NIKKAJI J6.471H -CH$LINK: PUBCHEM SID:9618 +CH$LINK: PUBCHEM CID:4688 CH$LINK: INCHIKEY DPWPWRLQFGFJFI-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID3023423 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO003460.txt b/Keio_Univ/MSBNK-Keio_Univ-KO003460.txt index 61c8c656a55..fc09af9c13d 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO003460.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO003460.txt @@ -14,7 +14,7 @@ CH$IUPAC: InChI=1S/C11H13N/c1-3-9-12(2)10-11-7-5-4-6-8-11/h1,4-8H,9-10H2,2H3 CH$LINK: CAS 555-57-7 CH$LINK: KEGG C07414 CH$LINK: NIKKAJI J6.471H -CH$LINK: PUBCHEM SID:9618 +CH$LINK: PUBCHEM CID:4688 CH$LINK: INCHIKEY DPWPWRLQFGFJFI-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID3023423 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO003461.txt b/Keio_Univ/MSBNK-Keio_Univ-KO003461.txt index 1a7d05b474c..c09ad9c3fbe 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO003461.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO003461.txt @@ -14,7 +14,7 @@ CH$IUPAC: InChI=1S/C11H13N/c1-3-9-12(2)10-11-7-5-4-6-8-11/h1,4-8H,9-10H2,2H3 CH$LINK: CAS 555-57-7 CH$LINK: KEGG C07414 CH$LINK: NIKKAJI J6.471H -CH$LINK: PUBCHEM SID:9618 +CH$LINK: PUBCHEM CID:4688 CH$LINK: INCHIKEY DPWPWRLQFGFJFI-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID3023423 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO003467.txt b/Keio_Univ/MSBNK-Keio_Univ-KO003467.txt index b562214bf0a..05d0ac62a2a 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO003467.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO003467.txt @@ -13,7 +13,7 @@ CH$EXACT_MASS: 169.08513 CH$SMILES: OC(=O)[C@@H](N)Cc(c1)n(C)cn1 CH$IUPAC: InChI=1S/C7H11N3O2/c1-10-4-9-3-5(10)2-6(8)7(11)12/h3-4,6H,2,8H2,1H3,(H,11,12)/t6-/m0/s1 CH$LINK: KEGG C01152 -CH$LINK: PUBCHEM SID:4381 +CH$LINK: PUBCHEM CID:64969 CH$LINK: INCHIKEY JDHILDINMRGULE-LURJTMIESA-N CH$LINK: COMPTOX DTXSID90920521 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO003468.txt b/Keio_Univ/MSBNK-Keio_Univ-KO003468.txt index 843b464207b..e2146b8db6f 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO003468.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO003468.txt @@ -13,7 +13,7 @@ CH$EXACT_MASS: 169.08513 CH$SMILES: OC(=O)[C@@H](N)Cc(c1)n(C)cn1 CH$IUPAC: InChI=1S/C7H11N3O2/c1-10-4-9-3-5(10)2-6(8)7(11)12/h3-4,6H,2,8H2,1H3,(H,11,12)/t6-/m0/s1 CH$LINK: KEGG C01152 -CH$LINK: PUBCHEM SID:4381 +CH$LINK: PUBCHEM CID:64969 CH$LINK: INCHIKEY JDHILDINMRGULE-LURJTMIESA-N CH$LINK: COMPTOX DTXSID90920521 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO003469.txt b/Keio_Univ/MSBNK-Keio_Univ-KO003469.txt index 0eb501481c4..f2c3cca7012 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO003469.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO003469.txt @@ -13,7 +13,7 @@ CH$EXACT_MASS: 169.08513 CH$SMILES: OC(=O)[C@@H](N)Cc(c1)n(C)cn1 CH$IUPAC: InChI=1S/C7H11N3O2/c1-10-4-9-3-5(10)2-6(8)7(11)12/h3-4,6H,2,8H2,1H3,(H,11,12)/t6-/m0/s1 CH$LINK: KEGG C01152 -CH$LINK: PUBCHEM SID:4381 +CH$LINK: PUBCHEM CID:64969 CH$LINK: INCHIKEY JDHILDINMRGULE-LURJTMIESA-N CH$LINK: COMPTOX DTXSID90920521 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO003470.txt b/Keio_Univ/MSBNK-Keio_Univ-KO003470.txt index e624e1bceca..38c0eca0359 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO003470.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO003470.txt @@ -13,7 +13,7 @@ CH$EXACT_MASS: 169.08513 CH$SMILES: OC(=O)[C@@H](N)Cc(c1)n(C)cn1 CH$IUPAC: InChI=1S/C7H11N3O2/c1-10-4-9-3-5(10)2-6(8)7(11)12/h3-4,6H,2,8H2,1H3,(H,11,12)/t6-/m0/s1 CH$LINK: KEGG C01152 -CH$LINK: PUBCHEM SID:4381 +CH$LINK: PUBCHEM CID:64969 CH$LINK: INCHIKEY JDHILDINMRGULE-LURJTMIESA-N CH$LINK: COMPTOX DTXSID90920521 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO003471.txt b/Keio_Univ/MSBNK-Keio_Univ-KO003471.txt index 01cef2be529..5b0b3e79ddf 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO003471.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO003471.txt @@ -13,7 +13,7 @@ CH$EXACT_MASS: 169.08513 CH$SMILES: OC(=O)[C@@H](N)Cc(c1)n(C)cn1 CH$IUPAC: InChI=1S/C7H11N3O2/c1-10-4-9-3-5(10)2-6(8)7(11)12/h3-4,6H,2,8H2,1H3,(H,11,12)/t6-/m0/s1 CH$LINK: KEGG C01152 -CH$LINK: PUBCHEM SID:4381 +CH$LINK: PUBCHEM CID:64969 CH$LINK: INCHIKEY JDHILDINMRGULE-LURJTMIESA-N CH$LINK: COMPTOX DTXSID90920521 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO003477.txt b/Keio_Univ/MSBNK-Keio_Univ-KO003477.txt index 94f302ded8a..b28671adff4 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO003477.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO003477.txt @@ -13,7 +13,7 @@ CH$EXACT_MASS: 205.07389 CH$SMILES: COC1=CC2=C(C=C1)NC=C2CC(=O)O CH$IUPAC: InChI=1S/C11H11NO3/c1-15-8-2-3-10-9(5-8)7(6-12-10)4-11(13)14/h2-3,5-6,12H,4H2,1H3,(H,13,14) CH$LINK: KEGG C05660 -CH$LINK: PUBCHEM SID:7971 +CH$LINK: PUBCHEM CID:18986 CH$LINK: INCHIKEY COCNDHOPIHDTHK-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID70188268 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO003478.txt b/Keio_Univ/MSBNK-Keio_Univ-KO003478.txt index fea78136b7e..619b00fceb1 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO003478.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO003478.txt @@ -13,7 +13,7 @@ CH$EXACT_MASS: 205.07389 CH$SMILES: COC1=CC2=C(C=C1)NC=C2CC(=O)O CH$IUPAC: InChI=1S/C11H11NO3/c1-15-8-2-3-10-9(5-8)7(6-12-10)4-11(13)14/h2-3,5-6,12H,4H2,1H3,(H,13,14) CH$LINK: KEGG C05660 -CH$LINK: PUBCHEM SID:7971 +CH$LINK: PUBCHEM CID:18986 CH$LINK: INCHIKEY COCNDHOPIHDTHK-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID70188268 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO003479.txt b/Keio_Univ/MSBNK-Keio_Univ-KO003479.txt index ae302665cf1..a1418f7c634 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO003479.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO003479.txt @@ -13,7 +13,7 @@ CH$EXACT_MASS: 205.07389 CH$SMILES: COC1=CC2=C(C=C1)NC=C2CC(=O)O CH$IUPAC: InChI=1S/C11H11NO3/c1-15-8-2-3-10-9(5-8)7(6-12-10)4-11(13)14/h2-3,5-6,12H,4H2,1H3,(H,13,14) CH$LINK: KEGG C05660 -CH$LINK: PUBCHEM SID:7971 +CH$LINK: PUBCHEM CID:18986 CH$LINK: INCHIKEY COCNDHOPIHDTHK-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID70188268 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO003480.txt b/Keio_Univ/MSBNK-Keio_Univ-KO003480.txt index 53aba077ef4..cd2ab776350 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO003480.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO003480.txt @@ -13,7 +13,7 @@ CH$EXACT_MASS: 205.07389 CH$SMILES: COC1=CC2=C(C=C1)NC=C2CC(=O)O CH$IUPAC: InChI=1S/C11H11NO3/c1-15-8-2-3-10-9(5-8)7(6-12-10)4-11(13)14/h2-3,5-6,12H,4H2,1H3,(H,13,14) CH$LINK: KEGG C05660 -CH$LINK: PUBCHEM SID:7971 +CH$LINK: PUBCHEM CID:18986 CH$LINK: INCHIKEY COCNDHOPIHDTHK-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID70188268 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO003481.txt b/Keio_Univ/MSBNK-Keio_Univ-KO003481.txt index 0227a2ae219..0653e35746a 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO003481.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO003481.txt @@ -13,7 +13,7 @@ CH$EXACT_MASS: 205.07389 CH$SMILES: COC1=CC2=C(C=C1)NC=C2CC(=O)O CH$IUPAC: InChI=1S/C11H11NO3/c1-15-8-2-3-10-9(5-8)7(6-12-10)4-11(13)14/h2-3,5-6,12H,4H2,1H3,(H,13,14) CH$LINK: KEGG C05660 -CH$LINK: PUBCHEM SID:7971 +CH$LINK: PUBCHEM CID:18986 CH$LINK: INCHIKEY COCNDHOPIHDTHK-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID70188268 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO003482.txt b/Keio_Univ/MSBNK-Keio_Univ-KO003482.txt index 62e2792e85c..40f96c7454f 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO003482.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO003482.txt @@ -16,7 +16,7 @@ CH$LINK: CAS 14307-02-9 CH$LINK: CHEBI CHEBI:27503 CH$LINK: KEGG C03570 CH$LINK: NIKKAJI J133.219H -CH$LINK: PUBCHEM SID:6362 +CH$LINK: PUBCHEM CID:440049 CH$LINK: INCHIKEY MSWZFWKMSRAUBD-CBPJZXOFSA-N AC$INSTRUMENT: API3000, Applied Biosystems AC$INSTRUMENT_TYPE: LC-ESI-QQ diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO003483.txt b/Keio_Univ/MSBNK-Keio_Univ-KO003483.txt index 5f7c66b4061..71838c61275 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO003483.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO003483.txt @@ -16,7 +16,7 @@ CH$LINK: CAS 14307-02-9 CH$LINK: CHEBI CHEBI:27503 CH$LINK: KEGG C03570 CH$LINK: NIKKAJI J133.219H -CH$LINK: PUBCHEM SID:6362 +CH$LINK: PUBCHEM CID:440049 CH$LINK: INCHIKEY MSWZFWKMSRAUBD-CBPJZXOFSA-N AC$INSTRUMENT: API3000, Applied Biosystems AC$INSTRUMENT_TYPE: LC-ESI-QQ diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO003484.txt b/Keio_Univ/MSBNK-Keio_Univ-KO003484.txt index be91576c415..da3e1936e08 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO003484.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO003484.txt @@ -16,7 +16,7 @@ CH$LINK: CAS 14307-02-9 CH$LINK: CHEBI CHEBI:27503 CH$LINK: KEGG C03570 CH$LINK: NIKKAJI J133.219H -CH$LINK: PUBCHEM SID:6362 +CH$LINK: PUBCHEM CID:440049 CH$LINK: INCHIKEY MSWZFWKMSRAUBD-CBPJZXOFSA-N AC$INSTRUMENT: API3000, Applied Biosystems AC$INSTRUMENT_TYPE: LC-ESI-QQ diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO003485.txt b/Keio_Univ/MSBNK-Keio_Univ-KO003485.txt index e13bf2096c6..350ca85d4b6 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO003485.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO003485.txt @@ -16,7 +16,7 @@ CH$LINK: CAS 14307-02-9 CH$LINK: CHEBI CHEBI:27503 CH$LINK: KEGG C03570 CH$LINK: NIKKAJI J133.219H -CH$LINK: PUBCHEM SID:6362 +CH$LINK: PUBCHEM CID:440049 CH$LINK: INCHIKEY MSWZFWKMSRAUBD-CBPJZXOFSA-N AC$INSTRUMENT: API3000, Applied Biosystems AC$INSTRUMENT_TYPE: LC-ESI-QQ diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO003486.txt b/Keio_Univ/MSBNK-Keio_Univ-KO003486.txt index b9774856d4a..d5610ce10a8 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO003486.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO003486.txt @@ -16,7 +16,7 @@ CH$LINK: CAS 14307-02-9 CH$LINK: CHEBI CHEBI:27503 CH$LINK: KEGG C03570 CH$LINK: NIKKAJI J133.219H -CH$LINK: PUBCHEM SID:6362 +CH$LINK: PUBCHEM CID:440049 CH$LINK: INCHIKEY MSWZFWKMSRAUBD-CBPJZXOFSA-N AC$INSTRUMENT: API3000, Applied Biosystems AC$INSTRUMENT_TYPE: LC-ESI-QQ diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO003487.txt b/Keio_Univ/MSBNK-Keio_Univ-KO003487.txt index dc176388a2d..6ea57188ba2 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO003487.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO003487.txt @@ -17,7 +17,7 @@ CH$LINK: CAS 1114-41-6 CH$LINK: CHEBI CHEBI:28118 CH$LINK: KEGG C06470 CH$LINK: NIKKAJI J15.184J -CH$LINK: PUBCHEM SID:8702 +CH$LINK: PUBCHEM CID:441038 CH$LINK: INCHIKEY MSFSPUZXLOGKHJ-PGYHGBPZSA-N AC$INSTRUMENT: API3000, Applied Biosystems AC$INSTRUMENT_TYPE: LC-ESI-QQ diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO003488.txt b/Keio_Univ/MSBNK-Keio_Univ-KO003488.txt index 3cdad35bb43..cf847710bb3 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO003488.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO003488.txt @@ -17,7 +17,7 @@ CH$LINK: CAS 1114-41-6 CH$LINK: CHEBI CHEBI:28118 CH$LINK: KEGG C06470 CH$LINK: NIKKAJI J15.184J -CH$LINK: PUBCHEM SID:8702 +CH$LINK: PUBCHEM CID:441038 CH$LINK: INCHIKEY MSFSPUZXLOGKHJ-PGYHGBPZSA-N AC$INSTRUMENT: API3000, Applied Biosystems AC$INSTRUMENT_TYPE: LC-ESI-QQ diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO003489.txt b/Keio_Univ/MSBNK-Keio_Univ-KO003489.txt index 3238722ac00..4f828f8870b 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO003489.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO003489.txt @@ -17,7 +17,7 @@ CH$LINK: CAS 1114-41-6 CH$LINK: CHEBI CHEBI:28118 CH$LINK: KEGG C06470 CH$LINK: NIKKAJI J15.184J -CH$LINK: PUBCHEM SID:8702 +CH$LINK: PUBCHEM CID:441038 CH$LINK: INCHIKEY MSFSPUZXLOGKHJ-PGYHGBPZSA-N AC$INSTRUMENT: API3000, Applied Biosystems AC$INSTRUMENT_TYPE: LC-ESI-QQ diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO003490.txt b/Keio_Univ/MSBNK-Keio_Univ-KO003490.txt index 07fe7cf1746..12b34352fc0 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO003490.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO003490.txt @@ -17,7 +17,7 @@ CH$LINK: CAS 1114-41-6 CH$LINK: CHEBI CHEBI:28118 CH$LINK: KEGG C06470 CH$LINK: NIKKAJI J15.184J -CH$LINK: PUBCHEM SID:8702 +CH$LINK: PUBCHEM CID:441038 CH$LINK: INCHIKEY MSFSPUZXLOGKHJ-PGYHGBPZSA-N AC$INSTRUMENT: API3000, Applied Biosystems AC$INSTRUMENT_TYPE: LC-ESI-QQ diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO003491.txt b/Keio_Univ/MSBNK-Keio_Univ-KO003491.txt index 9004e7834eb..172af5c8932 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO003491.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO003491.txt @@ -17,7 +17,7 @@ CH$LINK: CAS 1114-41-6 CH$LINK: CHEBI CHEBI:28118 CH$LINK: KEGG C06470 CH$LINK: NIKKAJI J15.184J -CH$LINK: PUBCHEM SID:8702 +CH$LINK: PUBCHEM CID:441038 CH$LINK: INCHIKEY MSFSPUZXLOGKHJ-PGYHGBPZSA-N AC$INSTRUMENT: API3000, Applied Biosystems AC$INSTRUMENT_TYPE: LC-ESI-QQ diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO003492.txt b/Keio_Univ/MSBNK-Keio_Univ-KO003492.txt index ce472a85dea..88556215fa9 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO003492.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO003492.txt @@ -14,7 +14,7 @@ CH$IUPAC: InChI=1S/C19H24N2OS/c1-14(12-20(2)3)13-21-16-7-5-6-8-18(16)23-19-10-9- CH$LINK: CAS 60-99-1 CH$LINK: KEGG C07192 CH$LINK: NIKKAJI J76.892H -CH$LINK: PUBCHEM SID:9401 +CH$LINK: PUBCHEM CID:72287 CH$LINK: INCHIKEY VRQVVMDWGGWHTJ-CQSZACIVSA-N CH$LINK: COMPTOX DTXSID1023289 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO003493.txt b/Keio_Univ/MSBNK-Keio_Univ-KO003493.txt index f558e82bd23..2f4f80b59a0 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO003493.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO003493.txt @@ -14,7 +14,7 @@ CH$IUPAC: InChI=1S/C19H24N2OS/c1-14(12-20(2)3)13-21-16-7-5-6-8-18(16)23-19-10-9- CH$LINK: CAS 60-99-1 CH$LINK: KEGG C07192 CH$LINK: NIKKAJI J76.892H -CH$LINK: PUBCHEM SID:9401 +CH$LINK: PUBCHEM CID:72287 CH$LINK: INCHIKEY VRQVVMDWGGWHTJ-CQSZACIVSA-N CH$LINK: COMPTOX DTXSID1023289 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO003494.txt b/Keio_Univ/MSBNK-Keio_Univ-KO003494.txt index 459dad0f69c..39f91e7cea9 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO003494.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO003494.txt @@ -14,7 +14,7 @@ CH$IUPAC: InChI=1S/C19H24N2OS/c1-14(12-20(2)3)13-21-16-7-5-6-8-18(16)23-19-10-9- CH$LINK: CAS 60-99-1 CH$LINK: KEGG C07192 CH$LINK: NIKKAJI J76.892H -CH$LINK: PUBCHEM SID:9401 +CH$LINK: PUBCHEM CID:72287 CH$LINK: INCHIKEY VRQVVMDWGGWHTJ-CQSZACIVSA-N CH$LINK: COMPTOX DTXSID1023289 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO003495.txt b/Keio_Univ/MSBNK-Keio_Univ-KO003495.txt index 9f68f8d618d..e0a8f5963a6 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO003495.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO003495.txt @@ -14,7 +14,7 @@ CH$IUPAC: InChI=1S/C19H24N2OS/c1-14(12-20(2)3)13-21-16-7-5-6-8-18(16)23-19-10-9- CH$LINK: CAS 60-99-1 CH$LINK: KEGG C07192 CH$LINK: NIKKAJI J76.892H -CH$LINK: PUBCHEM SID:9401 +CH$LINK: PUBCHEM CID:72287 CH$LINK: INCHIKEY VRQVVMDWGGWHTJ-CQSZACIVSA-N CH$LINK: COMPTOX DTXSID1023289 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO003496.txt b/Keio_Univ/MSBNK-Keio_Univ-KO003496.txt index 72b6b77ff2d..7ed626cde6b 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO003496.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO003496.txt @@ -14,7 +14,7 @@ CH$IUPAC: InChI=1S/C19H24N2OS/c1-14(12-20(2)3)13-21-16-7-5-6-8-18(16)23-19-10-9- CH$LINK: CAS 60-99-1 CH$LINK: KEGG C07192 CH$LINK: NIKKAJI J76.892H -CH$LINK: PUBCHEM SID:9401 +CH$LINK: PUBCHEM CID:72287 CH$LINK: INCHIKEY VRQVVMDWGGWHTJ-CQSZACIVSA-N CH$LINK: COMPTOX DTXSID1023289 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO003502.txt b/Keio_Univ/MSBNK-Keio_Univ-KO003502.txt index 3294bf7b845..d0b61ac3ee1 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO003502.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO003502.txt @@ -14,7 +14,7 @@ CH$IUPAC: InChI=1S/C13H18N2O/c1-15(2)7-6-10-9-14-13-5-4-11(16-3)8-12(10)13/h4-5, CH$LINK: CAS 1019-45-0 CH$LINK: KEGG C08309 CH$LINK: NIKKAJI J21.248B -CH$LINK: PUBCHEM SID:10507 +CH$LINK: PUBCHEM CID:1832 CH$LINK: INCHIKEY ZSTKHSQDNIGFLM-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID70144324 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO003503.txt b/Keio_Univ/MSBNK-Keio_Univ-KO003503.txt index bb4d1befe3b..aa2a9b2fcb5 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO003503.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO003503.txt @@ -14,7 +14,7 @@ CH$IUPAC: InChI=1S/C13H18N2O/c1-15(2)7-6-10-9-14-13-5-4-11(16-3)8-12(10)13/h4-5, CH$LINK: CAS 1019-45-0 CH$LINK: KEGG C08309 CH$LINK: NIKKAJI J21.248B -CH$LINK: PUBCHEM SID:10507 +CH$LINK: PUBCHEM CID:1832 CH$LINK: INCHIKEY ZSTKHSQDNIGFLM-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID70144324 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO003504.txt b/Keio_Univ/MSBNK-Keio_Univ-KO003504.txt index 096e56fbe02..a85c2abf838 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO003504.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO003504.txt @@ -14,7 +14,7 @@ CH$IUPAC: InChI=1S/C13H18N2O/c1-15(2)7-6-10-9-14-13-5-4-11(16-3)8-12(10)13/h4-5, CH$LINK: CAS 1019-45-0 CH$LINK: KEGG C08309 CH$LINK: NIKKAJI J21.248B -CH$LINK: PUBCHEM SID:10507 +CH$LINK: PUBCHEM CID:1832 CH$LINK: INCHIKEY ZSTKHSQDNIGFLM-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID70144324 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO003505.txt b/Keio_Univ/MSBNK-Keio_Univ-KO003505.txt index 11d4910da54..322d1a9440f 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO003505.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO003505.txt @@ -14,7 +14,7 @@ CH$IUPAC: InChI=1S/C13H18N2O/c1-15(2)7-6-10-9-14-13-5-4-11(16-3)8-12(10)13/h4-5, CH$LINK: CAS 1019-45-0 CH$LINK: KEGG C08309 CH$LINK: NIKKAJI J21.248B -CH$LINK: PUBCHEM SID:10507 +CH$LINK: PUBCHEM CID:1832 CH$LINK: INCHIKEY ZSTKHSQDNIGFLM-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID70144324 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO003506.txt b/Keio_Univ/MSBNK-Keio_Univ-KO003506.txt index 8ad81e748df..156c595ccda 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO003506.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO003506.txt @@ -14,7 +14,7 @@ CH$IUPAC: InChI=1S/C13H18N2O/c1-15(2)7-6-10-9-14-13-5-4-11(16-3)8-12(10)13/h4-5, CH$LINK: CAS 1019-45-0 CH$LINK: KEGG C08309 CH$LINK: NIKKAJI J21.248B -CH$LINK: PUBCHEM SID:10507 +CH$LINK: PUBCHEM CID:1832 CH$LINK: INCHIKEY ZSTKHSQDNIGFLM-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID70144324 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO003512.txt b/Keio_Univ/MSBNK-Keio_Univ-KO003512.txt index 57af2c846df..3027f2f1893 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO003512.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO003512.txt @@ -12,7 +12,7 @@ CH$SMILES: OCC(O1)C(O)CC1n(c3)c(n2)c(n3)c(NC)nc2 CH$IUPAC: InChI=1S/C11H15N5O3/c1-12-10-9-11(14-4-13-10)16(5-15-9)8-2-6(18)7(3-17)19-8/h4-8,17-18H,2-3H2,1H3,(H,12,13,14)/t6-,7+,8+/m0/s1 CH$LINK: CAS 2002-35-9 CH$LINK: KEGG C03795 -CH$LINK: PUBCHEM SID:6544 +CH$LINK: PUBCHEM CID:168948 CH$LINK: INCHIKEY DYSDOYRQWBDGQQ-XLPZGREQSA-N CH$LINK: COMPTOX DTXSID60173840 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO003513.txt b/Keio_Univ/MSBNK-Keio_Univ-KO003513.txt index df599e754ef..9ebe348a581 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO003513.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO003513.txt @@ -12,7 +12,7 @@ CH$SMILES: OCC(O1)C(O)CC1n(c3)c(n2)c(n3)c(NC)nc2 CH$IUPAC: InChI=1S/C11H15N5O3/c1-12-10-9-11(14-4-13-10)16(5-15-9)8-2-6(18)7(3-17)19-8/h4-8,17-18H,2-3H2,1H3,(H,12,13,14)/t6-,7+,8+/m0/s1 CH$LINK: CAS 2002-35-9 CH$LINK: KEGG C03795 -CH$LINK: PUBCHEM SID:6544 +CH$LINK: PUBCHEM CID:168948 CH$LINK: INCHIKEY DYSDOYRQWBDGQQ-XLPZGREQSA-N CH$LINK: COMPTOX DTXSID60173840 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO003514.txt b/Keio_Univ/MSBNK-Keio_Univ-KO003514.txt index 679dc38a51b..1afb34a3215 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO003514.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO003514.txt @@ -12,7 +12,7 @@ CH$SMILES: OCC(O1)C(O)CC1n(c3)c(n2)c(n3)c(NC)nc2 CH$IUPAC: InChI=1S/C11H15N5O3/c1-12-10-9-11(14-4-13-10)16(5-15-9)8-2-6(18)7(3-17)19-8/h4-8,17-18H,2-3H2,1H3,(H,12,13,14)/t6-,7+,8+/m0/s1 CH$LINK: CAS 2002-35-9 CH$LINK: KEGG C03795 -CH$LINK: PUBCHEM SID:6544 +CH$LINK: PUBCHEM CID:168948 CH$LINK: INCHIKEY DYSDOYRQWBDGQQ-XLPZGREQSA-N CH$LINK: COMPTOX DTXSID60173840 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO003515.txt b/Keio_Univ/MSBNK-Keio_Univ-KO003515.txt index b96c92ce3e6..2089abd1136 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO003515.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO003515.txt @@ -12,7 +12,7 @@ CH$SMILES: OCC(O1)C(O)CC1n(c3)c(n2)c(n3)c(NC)nc2 CH$IUPAC: InChI=1S/C11H15N5O3/c1-12-10-9-11(14-4-13-10)16(5-15-9)8-2-6(18)7(3-17)19-8/h4-8,17-18H,2-3H2,1H3,(H,12,13,14)/t6-,7+,8+/m0/s1 CH$LINK: CAS 2002-35-9 CH$LINK: KEGG C03795 -CH$LINK: PUBCHEM SID:6544 +CH$LINK: PUBCHEM CID:168948 CH$LINK: INCHIKEY DYSDOYRQWBDGQQ-XLPZGREQSA-N CH$LINK: COMPTOX DTXSID60173840 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO003516.txt b/Keio_Univ/MSBNK-Keio_Univ-KO003516.txt index f1f7a72abfb..beed6a953d7 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO003516.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO003516.txt @@ -12,7 +12,7 @@ CH$SMILES: OCC(O1)C(O)CC1n(c3)c(n2)c(n3)c(NC)nc2 CH$IUPAC: InChI=1S/C11H15N5O3/c1-12-10-9-11(14-4-13-10)16(5-15-9)8-2-6(18)7(3-17)19-8/h4-8,17-18H,2-3H2,1H3,(H,12,13,14)/t6-,7+,8+/m0/s1 CH$LINK: CAS 2002-35-9 CH$LINK: KEGG C03795 -CH$LINK: PUBCHEM SID:6544 +CH$LINK: PUBCHEM CID:168948 CH$LINK: INCHIKEY DYSDOYRQWBDGQQ-XLPZGREQSA-N CH$LINK: COMPTOX DTXSID60173840 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO003517.txt b/Keio_Univ/MSBNK-Keio_Univ-KO003517.txt index 670bd059a67..907dc450292 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO003517.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO003517.txt @@ -15,7 +15,7 @@ CH$LINK: CHEBI CHEBI:6911 CH$LINK: CHEMPDB MYT CH$LINK: KEGG C07205 CH$LINK: NIKKAJI J1.369B -CH$LINK: PUBCHEM SID:9414 +CH$LINK: PUBCHEM CID:4174 CH$LINK: INCHIKEY FJLBFSROUSIWMA-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID1023314 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO003518.txt b/Keio_Univ/MSBNK-Keio_Univ-KO003518.txt index b3ff6056c30..a595f2f6d01 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO003518.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO003518.txt @@ -15,7 +15,7 @@ CH$LINK: CHEBI CHEBI:6911 CH$LINK: CHEMPDB MYT CH$LINK: KEGG C07205 CH$LINK: NIKKAJI J1.369B -CH$LINK: PUBCHEM SID:9414 +CH$LINK: PUBCHEM CID:4174 CH$LINK: INCHIKEY FJLBFSROUSIWMA-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID1023314 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO003519.txt b/Keio_Univ/MSBNK-Keio_Univ-KO003519.txt index 5eae76f53e0..8305dc32632 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO003519.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO003519.txt @@ -15,7 +15,7 @@ CH$LINK: CHEBI CHEBI:6911 CH$LINK: CHEMPDB MYT CH$LINK: KEGG C07205 CH$LINK: NIKKAJI J1.369B -CH$LINK: PUBCHEM SID:9414 +CH$LINK: PUBCHEM CID:4174 CH$LINK: INCHIKEY FJLBFSROUSIWMA-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID1023314 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO003520.txt b/Keio_Univ/MSBNK-Keio_Univ-KO003520.txt index ca12fbb1d41..e20b2add920 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO003520.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO003520.txt @@ -15,7 +15,7 @@ CH$LINK: CHEBI CHEBI:6911 CH$LINK: CHEMPDB MYT CH$LINK: KEGG C07205 CH$LINK: NIKKAJI J1.369B -CH$LINK: PUBCHEM SID:9414 +CH$LINK: PUBCHEM CID:4174 CH$LINK: INCHIKEY FJLBFSROUSIWMA-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID1023314 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO003521.txt b/Keio_Univ/MSBNK-Keio_Univ-KO003521.txt index ffcdd99520d..3fb01674897 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO003521.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO003521.txt @@ -15,7 +15,7 @@ CH$LINK: CHEBI CHEBI:6911 CH$LINK: CHEMPDB MYT CH$LINK: KEGG C07205 CH$LINK: NIKKAJI J1.369B -CH$LINK: PUBCHEM SID:9414 +CH$LINK: PUBCHEM CID:4174 CH$LINK: INCHIKEY FJLBFSROUSIWMA-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID1023314 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO003527.txt b/Keio_Univ/MSBNK-Keio_Univ-KO003527.txt index 96176603706..c946a113878 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO003527.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO003527.txt @@ -13,7 +13,7 @@ CH$IUPAC: InChI=1S/C4H6N2O2/c5-2-3-1-4(7)6-8-3/h1H,2,5H2,(H,6,7) CH$LINK: CAS 2763-96-4 CH$LINK: KEGG C08311 CH$LINK: NIKKAJI J7.909J -CH$LINK: PUBCHEM SID:10509 +CH$LINK: PUBCHEM CID:4266 CH$LINK: INCHIKEY ZJQHPWUVQPJPQT-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID5041069 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO003528.txt b/Keio_Univ/MSBNK-Keio_Univ-KO003528.txt index 792ec52bd85..d676f4cd50e 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO003528.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO003528.txt @@ -13,7 +13,7 @@ CH$IUPAC: InChI=1S/C4H6N2O2/c5-2-3-1-4(7)6-8-3/h1H,2,5H2,(H,6,7) CH$LINK: CAS 2763-96-4 CH$LINK: KEGG C08311 CH$LINK: NIKKAJI J7.909J -CH$LINK: PUBCHEM SID:10509 +CH$LINK: PUBCHEM CID:4266 CH$LINK: INCHIKEY ZJQHPWUVQPJPQT-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID5041069 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO003529.txt b/Keio_Univ/MSBNK-Keio_Univ-KO003529.txt index 344ddb42212..d2e25707391 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO003529.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO003529.txt @@ -13,7 +13,7 @@ CH$IUPAC: InChI=1S/C4H6N2O2/c5-2-3-1-4(7)6-8-3/h1H,2,5H2,(H,6,7) CH$LINK: CAS 2763-96-4 CH$LINK: KEGG C08311 CH$LINK: NIKKAJI J7.909J -CH$LINK: PUBCHEM SID:10509 +CH$LINK: PUBCHEM CID:4266 CH$LINK: INCHIKEY ZJQHPWUVQPJPQT-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID5041069 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO003530.txt b/Keio_Univ/MSBNK-Keio_Univ-KO003530.txt index 78c0bd58682..c840b3f8161 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO003530.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO003530.txt @@ -13,7 +13,7 @@ CH$IUPAC: InChI=1S/C4H6N2O2/c5-2-3-1-4(7)6-8-3/h1H,2,5H2,(H,6,7) CH$LINK: CAS 2763-96-4 CH$LINK: KEGG C08311 CH$LINK: NIKKAJI J7.909J -CH$LINK: PUBCHEM SID:10509 +CH$LINK: PUBCHEM CID:4266 CH$LINK: INCHIKEY ZJQHPWUVQPJPQT-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID5041069 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO003531.txt b/Keio_Univ/MSBNK-Keio_Univ-KO003531.txt index bea03ff78c1..3e4acc62fcf 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO003531.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO003531.txt @@ -13,7 +13,7 @@ CH$IUPAC: InChI=1S/C4H6N2O2/c5-2-3-1-4(7)6-8-3/h1H,2,5H2,(H,6,7) CH$LINK: CAS 2763-96-4 CH$LINK: KEGG C08311 CH$LINK: NIKKAJI J7.909J -CH$LINK: PUBCHEM SID:10509 +CH$LINK: PUBCHEM CID:4266 CH$LINK: INCHIKEY ZJQHPWUVQPJPQT-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID5041069 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO003532.txt b/Keio_Univ/MSBNK-Keio_Univ-KO003532.txt index 69b17635cc0..d39e55837ef 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO003532.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO003532.txt @@ -14,7 +14,7 @@ CH$IUPAC: InChI=1S/C4H6N2/c1-4-2-5-6-3-4/h2-3H,1H3,(H,5,6) CH$LINK: CAS 7554-65-6 CH$LINK: KEGG C07837 CH$LINK: NIKKAJI J35.396E -CH$LINK: PUBCHEM SID:10039 +CH$LINK: PUBCHEM CID:3406 CH$LINK: INCHIKEY RIKMMFOAQPJVMX-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID3040649 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO003533.txt b/Keio_Univ/MSBNK-Keio_Univ-KO003533.txt index 37db1f2d13c..ead2f3ff35d 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO003533.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO003533.txt @@ -14,7 +14,7 @@ CH$IUPAC: InChI=1S/C4H6N2/c1-4-2-5-6-3-4/h2-3H,1H3,(H,5,6) CH$LINK: CAS 7554-65-6 CH$LINK: KEGG C07837 CH$LINK: NIKKAJI J35.396E -CH$LINK: PUBCHEM SID:10039 +CH$LINK: PUBCHEM CID:3406 CH$LINK: INCHIKEY RIKMMFOAQPJVMX-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID3040649 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO003534.txt b/Keio_Univ/MSBNK-Keio_Univ-KO003534.txt index 999eadd4198..e2c44865b44 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO003534.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO003534.txt @@ -14,7 +14,7 @@ CH$IUPAC: InChI=1S/C4H6N2/c1-4-2-5-6-3-4/h2-3H,1H3,(H,5,6) CH$LINK: CAS 7554-65-6 CH$LINK: KEGG C07837 CH$LINK: NIKKAJI J35.396E -CH$LINK: PUBCHEM SID:10039 +CH$LINK: PUBCHEM CID:3406 CH$LINK: INCHIKEY RIKMMFOAQPJVMX-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID3040649 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO003535.txt b/Keio_Univ/MSBNK-Keio_Univ-KO003535.txt index de27babaf41..da52403d483 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO003535.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO003535.txt @@ -14,7 +14,7 @@ CH$IUPAC: InChI=1S/C4H6N2/c1-4-2-5-6-3-4/h2-3H,1H3,(H,5,6) CH$LINK: CAS 7554-65-6 CH$LINK: KEGG C07837 CH$LINK: NIKKAJI J35.396E -CH$LINK: PUBCHEM SID:10039 +CH$LINK: PUBCHEM CID:3406 CH$LINK: INCHIKEY RIKMMFOAQPJVMX-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID3040649 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO003536.txt b/Keio_Univ/MSBNK-Keio_Univ-KO003536.txt index 86977518e07..2acd9614d39 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO003536.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO003536.txt @@ -14,7 +14,7 @@ CH$IUPAC: InChI=1S/C4H6N2/c1-4-2-5-6-3-4/h2-3H,1H3,(H,5,6) CH$LINK: CAS 7554-65-6 CH$LINK: KEGG C07837 CH$LINK: NIKKAJI J35.396E -CH$LINK: PUBCHEM SID:10039 +CH$LINK: PUBCHEM CID:3406 CH$LINK: INCHIKEY RIKMMFOAQPJVMX-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID3040649 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO003542.txt b/Keio_Univ/MSBNK-Keio_Univ-KO003542.txt index d9cf88221ec..763b96ed142 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO003542.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO003542.txt @@ -16,7 +16,7 @@ CH$LINK: CAS 119-68-6 CH$LINK: CHEBI CHEBI:16394 CH$LINK: KEGG C03005 CH$LINK: NIKKAJI J5.315E -CH$LINK: PUBCHEM SID:5914 +CH$LINK: PUBCHEM CID:67069 CH$LINK: INCHIKEY WVMBPWMAQDVZCM-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID6059491 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO003543.txt b/Keio_Univ/MSBNK-Keio_Univ-KO003543.txt index 5e7ea54798a..6e7e88b3585 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO003543.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO003543.txt @@ -16,7 +16,7 @@ CH$LINK: CAS 119-68-6 CH$LINK: CHEBI CHEBI:16394 CH$LINK: KEGG C03005 CH$LINK: NIKKAJI J5.315E -CH$LINK: PUBCHEM SID:5914 +CH$LINK: PUBCHEM CID:67069 CH$LINK: INCHIKEY WVMBPWMAQDVZCM-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID6059491 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO003544.txt b/Keio_Univ/MSBNK-Keio_Univ-KO003544.txt index 082c66f7451..c3abae87bef 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO003544.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO003544.txt @@ -16,7 +16,7 @@ CH$LINK: CAS 119-68-6 CH$LINK: CHEBI CHEBI:16394 CH$LINK: KEGG C03005 CH$LINK: NIKKAJI J5.315E -CH$LINK: PUBCHEM SID:5914 +CH$LINK: PUBCHEM CID:67069 CH$LINK: INCHIKEY WVMBPWMAQDVZCM-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID6059491 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO003545.txt b/Keio_Univ/MSBNK-Keio_Univ-KO003545.txt index 844460153a9..cdcc6da6ceb 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO003545.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO003545.txt @@ -16,7 +16,7 @@ CH$LINK: CAS 119-68-6 CH$LINK: CHEBI CHEBI:16394 CH$LINK: KEGG C03005 CH$LINK: NIKKAJI J5.315E -CH$LINK: PUBCHEM SID:5914 +CH$LINK: PUBCHEM CID:67069 CH$LINK: INCHIKEY WVMBPWMAQDVZCM-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID6059491 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO003546.txt b/Keio_Univ/MSBNK-Keio_Univ-KO003546.txt index 08d59f816f1..8b1601069db 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO003546.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO003546.txt @@ -16,7 +16,7 @@ CH$LINK: CAS 119-68-6 CH$LINK: CHEBI CHEBI:16394 CH$LINK: KEGG C03005 CH$LINK: NIKKAJI J5.315E -CH$LINK: PUBCHEM SID:5914 +CH$LINK: PUBCHEM CID:67069 CH$LINK: INCHIKEY WVMBPWMAQDVZCM-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID6059491 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO003547.txt b/Keio_Univ/MSBNK-Keio_Univ-KO003547.txt index 3fe5c1c133e..6740f550a6a 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO003547.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO003547.txt @@ -15,7 +15,7 @@ CH$IUPAC: InChI=1S/C13H12Cl2N2/c14-10-6-8(1-3-12(10)16)5-9-2-4-13(17)11(15)7-9/h CH$LINK: CAS 101-14-4 CH$LINK: KEGG C10999 CH$LINK: NIKKAJI J3.595E -CH$LINK: PUBCHEM SID:13182 +CH$LINK: PUBCHEM CID:7543 CH$LINK: INCHIKEY IBOFVQJTBBUKMU-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID5020865 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO003548.txt b/Keio_Univ/MSBNK-Keio_Univ-KO003548.txt index 897a8323a02..848d7fcc6f9 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO003548.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO003548.txt @@ -15,7 +15,7 @@ CH$IUPAC: InChI=1S/C13H12Cl2N2/c14-10-6-8(1-3-12(10)16)5-9-2-4-13(17)11(15)7-9/h CH$LINK: CAS 101-14-4 CH$LINK: KEGG C10999 CH$LINK: NIKKAJI J3.595E -CH$LINK: PUBCHEM SID:13182 +CH$LINK: PUBCHEM CID:7543 CH$LINK: INCHIKEY IBOFVQJTBBUKMU-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID5020865 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO003549.txt b/Keio_Univ/MSBNK-Keio_Univ-KO003549.txt index 67bc077f203..2c75f64b527 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO003549.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO003549.txt @@ -15,7 +15,7 @@ CH$IUPAC: InChI=1S/C13H12Cl2N2/c14-10-6-8(1-3-12(10)16)5-9-2-4-13(17)11(15)7-9/h CH$LINK: CAS 101-14-4 CH$LINK: KEGG C10999 CH$LINK: NIKKAJI J3.595E -CH$LINK: PUBCHEM SID:13182 +CH$LINK: PUBCHEM CID:7543 CH$LINK: INCHIKEY IBOFVQJTBBUKMU-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID5020865 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO003550.txt b/Keio_Univ/MSBNK-Keio_Univ-KO003550.txt index 61142b1c1eb..9fae59e122d 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO003550.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO003550.txt @@ -15,7 +15,7 @@ CH$IUPAC: InChI=1S/C13H12Cl2N2/c14-10-6-8(1-3-12(10)16)5-9-2-4-13(17)11(15)7-9/h CH$LINK: CAS 101-14-4 CH$LINK: KEGG C10999 CH$LINK: NIKKAJI J3.595E -CH$LINK: PUBCHEM SID:13182 +CH$LINK: PUBCHEM CID:7543 CH$LINK: INCHIKEY IBOFVQJTBBUKMU-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID5020865 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO003551.txt b/Keio_Univ/MSBNK-Keio_Univ-KO003551.txt index ccc97c6acab..24ea5eb0b75 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO003551.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO003551.txt @@ -15,7 +15,7 @@ CH$IUPAC: InChI=1S/C13H12Cl2N2/c14-10-6-8(1-3-12(10)16)5-9-2-4-13(17)11(15)7-9/h CH$LINK: CAS 101-14-4 CH$LINK: KEGG C10999 CH$LINK: NIKKAJI J3.595E -CH$LINK: PUBCHEM SID:13182 +CH$LINK: PUBCHEM CID:7543 CH$LINK: INCHIKEY IBOFVQJTBBUKMU-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID5020865 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO003552.txt b/Keio_Univ/MSBNK-Keio_Univ-KO003552.txt index 6f7cd41d5c0..b4856ed17f0 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO003552.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO003552.txt @@ -14,7 +14,7 @@ CH$IUPAC: InChI=1S/C8H7NS2/c1-10-8-9-6-4-2-3-5-7(6)11-8/h2-5H,1H3 CH$LINK: CAS 615-22-5 CH$LINK: KEGG C10910 CH$LINK: NIKKAJI J37.327C -CH$LINK: PUBCHEM SID:13093 +CH$LINK: PUBCHEM CID:11989 CH$LINK: INCHIKEY UTBVIMLZIRIFFR-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID70274236 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO003553.txt b/Keio_Univ/MSBNK-Keio_Univ-KO003553.txt index 67497058ab8..15dde83acb7 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO003553.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO003553.txt @@ -14,7 +14,7 @@ CH$IUPAC: InChI=1S/C8H7NS2/c1-10-8-9-6-4-2-3-5-7(6)11-8/h2-5H,1H3 CH$LINK: CAS 615-22-5 CH$LINK: KEGG C10910 CH$LINK: NIKKAJI J37.327C -CH$LINK: PUBCHEM SID:13093 +CH$LINK: PUBCHEM CID:11989 CH$LINK: INCHIKEY UTBVIMLZIRIFFR-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID70274236 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO003554.txt b/Keio_Univ/MSBNK-Keio_Univ-KO003554.txt index 1639eba5cb0..fa96ea51cc4 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO003554.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO003554.txt @@ -14,7 +14,7 @@ CH$IUPAC: InChI=1S/C8H7NS2/c1-10-8-9-6-4-2-3-5-7(6)11-8/h2-5H,1H3 CH$LINK: CAS 615-22-5 CH$LINK: KEGG C10910 CH$LINK: NIKKAJI J37.327C -CH$LINK: PUBCHEM SID:13093 +CH$LINK: PUBCHEM CID:11989 CH$LINK: INCHIKEY UTBVIMLZIRIFFR-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID70274236 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO003555.txt b/Keio_Univ/MSBNK-Keio_Univ-KO003555.txt index 13ef9a4a12d..0e4bf00eb0f 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO003555.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO003555.txt @@ -14,7 +14,7 @@ CH$IUPAC: InChI=1S/C8H7NS2/c1-10-8-9-6-4-2-3-5-7(6)11-8/h2-5H,1H3 CH$LINK: CAS 615-22-5 CH$LINK: KEGG C10910 CH$LINK: NIKKAJI J37.327C -CH$LINK: PUBCHEM SID:13093 +CH$LINK: PUBCHEM CID:11989 CH$LINK: INCHIKEY UTBVIMLZIRIFFR-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID70274236 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO003556.txt b/Keio_Univ/MSBNK-Keio_Univ-KO003556.txt index 2ad2e033a37..1e75ca7289b 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO003556.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO003556.txt @@ -14,7 +14,7 @@ CH$IUPAC: InChI=1S/C8H7NS2/c1-10-8-9-6-4-2-3-5-7(6)11-8/h2-5H,1H3 CH$LINK: CAS 615-22-5 CH$LINK: KEGG C10910 CH$LINK: NIKKAJI J37.327C -CH$LINK: PUBCHEM SID:13093 +CH$LINK: PUBCHEM CID:11989 CH$LINK: INCHIKEY UTBVIMLZIRIFFR-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID70274236 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO003557.txt b/Keio_Univ/MSBNK-Keio_Univ-KO003557.txt index 21db5119114..243c3ba7310 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO003557.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO003557.txt @@ -13,7 +13,7 @@ CH$IUPAC: InChI=1S/C21H27N3O2/c1-4-15(12-25)22-21(26)14-8-17-16-6-5-7-18-20(16)1 CH$LINK: CAS 361-37-5 CH$LINK: KEGG C07199 CH$LINK: NIKKAJI J76.430B -CH$LINK: PUBCHEM SID:9408 +CH$LINK: PUBCHEM CID:9681 CH$LINK: INCHIKEY KPJZHOPZRAFDTN-ZRGWGRIASA-N CH$LINK: COMPTOX DTXSID2023307 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO003558.txt b/Keio_Univ/MSBNK-Keio_Univ-KO003558.txt index 0b078c6470b..eaf26aa68e6 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO003558.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO003558.txt @@ -13,7 +13,7 @@ CH$IUPAC: InChI=1S/C21H27N3O2/c1-4-15(12-25)22-21(26)14-8-17-16-6-5-7-18-20(16)1 CH$LINK: CAS 361-37-5 CH$LINK: KEGG C07199 CH$LINK: NIKKAJI J76.430B -CH$LINK: PUBCHEM SID:9408 +CH$LINK: PUBCHEM CID:9681 CH$LINK: INCHIKEY KPJZHOPZRAFDTN-ZRGWGRIASA-N CH$LINK: COMPTOX DTXSID2023307 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO003559.txt b/Keio_Univ/MSBNK-Keio_Univ-KO003559.txt index d9ec582d0e4..673a98567fb 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO003559.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO003559.txt @@ -13,7 +13,7 @@ CH$IUPAC: InChI=1S/C21H27N3O2/c1-4-15(12-25)22-21(26)14-8-17-16-6-5-7-18-20(16)1 CH$LINK: CAS 361-37-5 CH$LINK: KEGG C07199 CH$LINK: NIKKAJI J76.430B -CH$LINK: PUBCHEM SID:9408 +CH$LINK: PUBCHEM CID:9681 CH$LINK: INCHIKEY KPJZHOPZRAFDTN-ZRGWGRIASA-N CH$LINK: COMPTOX DTXSID2023307 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO003560.txt b/Keio_Univ/MSBNK-Keio_Univ-KO003560.txt index f4497375acc..18d5679bb1c 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO003560.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO003560.txt @@ -13,7 +13,7 @@ CH$IUPAC: InChI=1S/C21H27N3O2/c1-4-15(12-25)22-21(26)14-8-17-16-6-5-7-18-20(16)1 CH$LINK: CAS 361-37-5 CH$LINK: KEGG C07199 CH$LINK: NIKKAJI J76.430B -CH$LINK: PUBCHEM SID:9408 +CH$LINK: PUBCHEM CID:9681 CH$LINK: INCHIKEY KPJZHOPZRAFDTN-ZRGWGRIASA-N CH$LINK: COMPTOX DTXSID2023307 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO003561.txt b/Keio_Univ/MSBNK-Keio_Univ-KO003561.txt index 1ac28b3d9b6..3c708d14444 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO003561.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO003561.txt @@ -13,7 +13,7 @@ CH$IUPAC: InChI=1S/C21H27N3O2/c1-4-15(12-25)22-21(26)14-8-17-16-6-5-7-18-20(16)1 CH$LINK: CAS 361-37-5 CH$LINK: KEGG C07199 CH$LINK: NIKKAJI J76.430B -CH$LINK: PUBCHEM SID:9408 +CH$LINK: PUBCHEM CID:9681 CH$LINK: INCHIKEY KPJZHOPZRAFDTN-ZRGWGRIASA-N CH$LINK: COMPTOX DTXSID2023307 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO003572.txt b/Keio_Univ/MSBNK-Keio_Univ-KO003572.txt index 07dc9ed5597..e6095f1cdcf 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO003572.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO003572.txt @@ -13,7 +13,7 @@ CH$IUPAC: InChI=1S/C11H17NO3/c1-7(12)11(13)9-6-8(14-2)4-5-10(9)15-3/h4-7,11,13H, CH$LINK: CAS 390-28-3 CH$LINK: KEGG C07513 CH$LINK: NIKKAJI J5.717G -CH$LINK: PUBCHEM SID:9716 +CH$LINK: PUBCHEM CID:6082 CH$LINK: INCHIKEY WJAJPNHVVFWKKL-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID0023290 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO003573.txt b/Keio_Univ/MSBNK-Keio_Univ-KO003573.txt index 4cba38fac6c..ba2f3f6ffa2 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO003573.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO003573.txt @@ -13,7 +13,7 @@ CH$IUPAC: InChI=1S/C11H17NO3/c1-7(12)11(13)9-6-8(14-2)4-5-10(9)15-3/h4-7,11,13H, CH$LINK: CAS 390-28-3 CH$LINK: KEGG C07513 CH$LINK: NIKKAJI J5.717G -CH$LINK: PUBCHEM SID:9716 +CH$LINK: PUBCHEM CID:6082 CH$LINK: INCHIKEY WJAJPNHVVFWKKL-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID0023290 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO003574.txt b/Keio_Univ/MSBNK-Keio_Univ-KO003574.txt index f4e32b021a9..ec46d427892 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO003574.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO003574.txt @@ -13,7 +13,7 @@ CH$IUPAC: InChI=1S/C11H17NO3/c1-7(12)11(13)9-6-8(14-2)4-5-10(9)15-3/h4-7,11,13H, CH$LINK: CAS 390-28-3 CH$LINK: KEGG C07513 CH$LINK: NIKKAJI J5.717G -CH$LINK: PUBCHEM SID:9716 +CH$LINK: PUBCHEM CID:6082 CH$LINK: INCHIKEY WJAJPNHVVFWKKL-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID0023290 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO003575.txt b/Keio_Univ/MSBNK-Keio_Univ-KO003575.txt index b98e0e82820..5b73967d467 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO003575.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO003575.txt @@ -13,7 +13,7 @@ CH$IUPAC: InChI=1S/C11H17NO3/c1-7(12)11(13)9-6-8(14-2)4-5-10(9)15-3/h4-7,11,13H, CH$LINK: CAS 390-28-3 CH$LINK: KEGG C07513 CH$LINK: NIKKAJI J5.717G -CH$LINK: PUBCHEM SID:9716 +CH$LINK: PUBCHEM CID:6082 CH$LINK: INCHIKEY WJAJPNHVVFWKKL-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID0023290 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO003576.txt b/Keio_Univ/MSBNK-Keio_Univ-KO003576.txt index 0e027d25cf0..39698311994 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO003576.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO003576.txt @@ -13,7 +13,7 @@ CH$IUPAC: InChI=1S/C11H17NO3/c1-7(12)11(13)9-6-8(14-2)4-5-10(9)15-3/h4-7,11,13H, CH$LINK: CAS 390-28-3 CH$LINK: KEGG C07513 CH$LINK: NIKKAJI J5.717G -CH$LINK: PUBCHEM SID:9716 +CH$LINK: PUBCHEM CID:6082 CH$LINK: INCHIKEY WJAJPNHVVFWKKL-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID0023290 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO003577.txt b/Keio_Univ/MSBNK-Keio_Univ-KO003577.txt index 354ba8d6715..0d5539dbae8 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO003577.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO003577.txt @@ -13,7 +13,7 @@ CH$IUPAC: InChI=1S/C9H10N2/c1-3-8(7-10-5-1)9-4-2-6-11-9/h1,3,5,7H,2,4,6H2 CH$LINK: CAS 532-12-7 CH$LINK: KEGG C10160 CH$LINK: NIKKAJI J11.722F -CH$LINK: PUBCHEM SID:12346 +CH$LINK: PUBCHEM CID:442649 CH$LINK: INCHIKEY DPNGWXJMIILTBS-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID70891866 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO003578.txt b/Keio_Univ/MSBNK-Keio_Univ-KO003578.txt index c55554db3cf..17f46c93397 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO003578.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO003578.txt @@ -13,7 +13,7 @@ CH$IUPAC: InChI=1S/C9H10N2/c1-3-8(7-10-5-1)9-4-2-6-11-9/h1,3,5,7H,2,4,6H2 CH$LINK: CAS 532-12-7 CH$LINK: KEGG C10160 CH$LINK: NIKKAJI J11.722F -CH$LINK: PUBCHEM SID:12346 +CH$LINK: PUBCHEM CID:442649 CH$LINK: INCHIKEY DPNGWXJMIILTBS-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID70891866 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO003579.txt b/Keio_Univ/MSBNK-Keio_Univ-KO003579.txt index 6a6d90fef37..a027755e1a2 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO003579.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO003579.txt @@ -13,7 +13,7 @@ CH$IUPAC: InChI=1S/C9H10N2/c1-3-8(7-10-5-1)9-4-2-6-11-9/h1,3,5,7H,2,4,6H2 CH$LINK: CAS 532-12-7 CH$LINK: KEGG C10160 CH$LINK: NIKKAJI J11.722F -CH$LINK: PUBCHEM SID:12346 +CH$LINK: PUBCHEM CID:442649 CH$LINK: INCHIKEY DPNGWXJMIILTBS-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID70891866 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO003580.txt b/Keio_Univ/MSBNK-Keio_Univ-KO003580.txt index d615d428b6f..5a933fe89b6 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO003580.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO003580.txt @@ -13,7 +13,7 @@ CH$IUPAC: InChI=1S/C9H10N2/c1-3-8(7-10-5-1)9-4-2-6-11-9/h1,3,5,7H,2,4,6H2 CH$LINK: CAS 532-12-7 CH$LINK: KEGG C10160 CH$LINK: NIKKAJI J11.722F -CH$LINK: PUBCHEM SID:12346 +CH$LINK: PUBCHEM CID:442649 CH$LINK: INCHIKEY DPNGWXJMIILTBS-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID70891866 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO003581.txt b/Keio_Univ/MSBNK-Keio_Univ-KO003581.txt index ff0a7fdda9b..9875a447455 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO003581.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO003581.txt @@ -13,7 +13,7 @@ CH$IUPAC: InChI=1S/C9H10N2/c1-3-8(7-10-5-1)9-4-2-6-11-9/h1,3,5,7H,2,4,6H2 CH$LINK: CAS 532-12-7 CH$LINK: KEGG C10160 CH$LINK: NIKKAJI J11.722F -CH$LINK: PUBCHEM SID:12346 +CH$LINK: PUBCHEM CID:442649 CH$LINK: INCHIKEY DPNGWXJMIILTBS-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID70891866 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO003582.txt b/Keio_Univ/MSBNK-Keio_Univ-KO003582.txt index 1b99b238b4a..15333006e6b 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO003582.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO003582.txt @@ -18,7 +18,7 @@ CH$LINK: CHEBI CHEBI:17154 CH$LINK: CHEMPDB NCA CH$LINK: KEGG C00153 CH$LINK: NIKKAJI J3.988H -CH$LINK: PUBCHEM SID:3453 +CH$LINK: PUBCHEM CID:936 CH$LINK: INCHIKEY DFPAKSUCGFBDDF-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID2020929 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO003583.txt b/Keio_Univ/MSBNK-Keio_Univ-KO003583.txt index 87fed9d00a1..447c17ea82c 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO003583.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO003583.txt @@ -18,7 +18,7 @@ CH$LINK: CHEBI CHEBI:17154 CH$LINK: CHEMPDB NCA CH$LINK: KEGG C00153 CH$LINK: NIKKAJI J3.988H -CH$LINK: PUBCHEM SID:3453 +CH$LINK: PUBCHEM CID:936 CH$LINK: INCHIKEY DFPAKSUCGFBDDF-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID2020929 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO003584.txt b/Keio_Univ/MSBNK-Keio_Univ-KO003584.txt index bd4c3651e4d..c2ab463c44a 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO003584.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO003584.txt @@ -18,7 +18,7 @@ CH$LINK: CHEBI CHEBI:17154 CH$LINK: CHEMPDB NCA CH$LINK: KEGG C00153 CH$LINK: NIKKAJI J3.988H -CH$LINK: PUBCHEM SID:3453 +CH$LINK: PUBCHEM CID:936 CH$LINK: INCHIKEY DFPAKSUCGFBDDF-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID2020929 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO003585.txt b/Keio_Univ/MSBNK-Keio_Univ-KO003585.txt index 72f0358a77c..1d4dd58cf6c 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO003585.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO003585.txt @@ -18,7 +18,7 @@ CH$LINK: CHEBI CHEBI:17154 CH$LINK: CHEMPDB NCA CH$LINK: KEGG C00153 CH$LINK: NIKKAJI J3.988H -CH$LINK: PUBCHEM SID:3453 +CH$LINK: PUBCHEM CID:936 CH$LINK: INCHIKEY DFPAKSUCGFBDDF-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID2020929 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO003586.txt b/Keio_Univ/MSBNK-Keio_Univ-KO003586.txt index 04a88718bd2..78ba1141394 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO003586.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO003586.txt @@ -18,7 +18,7 @@ CH$LINK: CHEBI CHEBI:17154 CH$LINK: CHEMPDB NCA CH$LINK: KEGG C00153 CH$LINK: NIKKAJI J3.988H -CH$LINK: PUBCHEM SID:3453 +CH$LINK: PUBCHEM CID:936 CH$LINK: INCHIKEY DFPAKSUCGFBDDF-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID2020929 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO003587.txt b/Keio_Univ/MSBNK-Keio_Univ-KO003587.txt index 02cafd51340..4c12a1312cb 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO003587.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO003587.txt @@ -18,7 +18,7 @@ CH$LINK: CHEBI CHEBI:15940 CH$LINK: CHEMPDB NIO CH$LINK: KEGG C00253 CH$LINK: NIKKAJI J2.809F -CH$LINK: PUBCHEM SID:3552 +CH$LINK: PUBCHEM CID:938 CH$LINK: INCHIKEY PVNIIMVLHYAWGP-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID1020932 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO003588.txt b/Keio_Univ/MSBNK-Keio_Univ-KO003588.txt index 50f43b0e640..774bc0a0a6a 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO003588.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO003588.txt @@ -18,7 +18,7 @@ CH$LINK: CHEBI CHEBI:15940 CH$LINK: CHEMPDB NIO CH$LINK: KEGG C00253 CH$LINK: NIKKAJI J2.809F -CH$LINK: PUBCHEM SID:3552 +CH$LINK: PUBCHEM CID:938 CH$LINK: INCHIKEY PVNIIMVLHYAWGP-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID1020932 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO003589.txt b/Keio_Univ/MSBNK-Keio_Univ-KO003589.txt index edcfe33e6db..d83eba34f20 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO003589.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO003589.txt @@ -18,7 +18,7 @@ CH$LINK: CHEBI CHEBI:15940 CH$LINK: CHEMPDB NIO CH$LINK: KEGG C00253 CH$LINK: NIKKAJI J2.809F -CH$LINK: PUBCHEM SID:3552 +CH$LINK: PUBCHEM CID:938 CH$LINK: INCHIKEY PVNIIMVLHYAWGP-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID1020932 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO003590.txt b/Keio_Univ/MSBNK-Keio_Univ-KO003590.txt index 97c9ca866b9..89be766403f 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO003590.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO003590.txt @@ -18,7 +18,7 @@ CH$LINK: CHEBI CHEBI:15940 CH$LINK: CHEMPDB NIO CH$LINK: KEGG C00253 CH$LINK: NIKKAJI J2.809F -CH$LINK: PUBCHEM SID:3552 +CH$LINK: PUBCHEM CID:938 CH$LINK: INCHIKEY PVNIIMVLHYAWGP-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID1020932 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO003591.txt b/Keio_Univ/MSBNK-Keio_Univ-KO003591.txt index 7a33e868c1a..1296373fd3f 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO003591.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO003591.txt @@ -18,7 +18,7 @@ CH$LINK: CHEBI CHEBI:15940 CH$LINK: CHEMPDB NIO CH$LINK: KEGG C00253 CH$LINK: NIKKAJI J2.809F -CH$LINK: PUBCHEM SID:3552 +CH$LINK: PUBCHEM CID:938 CH$LINK: INCHIKEY PVNIIMVLHYAWGP-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID1020932 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO003592.txt b/Keio_Univ/MSBNK-Keio_Univ-KO003592.txt index 7588cd3977b..f3935882b04 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO003592.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO003592.txt @@ -18,7 +18,7 @@ CH$LINK: CAS 6600-40-4 CH$LINK: CHEBI CHEBI:18314 CH$LINK: KEGG C01826 CH$LINK: NIKKAJI J9.213D -CH$LINK: PUBCHEM SID:4949 +CH$LINK: PUBCHEM CID:65098 CH$LINK: INCHIKEY SNDPXSYFESPGGJ-BYPYZUCNSA-N AC$INSTRUMENT: API3000, Applied Biosystems AC$INSTRUMENT_TYPE: LC-ESI-QQ diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO003593.txt b/Keio_Univ/MSBNK-Keio_Univ-KO003593.txt index fde62711ad0..dfc7ad43bda 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO003593.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO003593.txt @@ -18,7 +18,7 @@ CH$LINK: CAS 6600-40-4 CH$LINK: CHEBI CHEBI:18314 CH$LINK: KEGG C01826 CH$LINK: NIKKAJI J9.213D -CH$LINK: PUBCHEM SID:4949 +CH$LINK: PUBCHEM CID:65098 CH$LINK: INCHIKEY SNDPXSYFESPGGJ-BYPYZUCNSA-N AC$INSTRUMENT: API3000, Applied Biosystems AC$INSTRUMENT_TYPE: LC-ESI-QQ diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO003594.txt b/Keio_Univ/MSBNK-Keio_Univ-KO003594.txt index 8e7dab1cc51..19a43f9e7ce 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO003594.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO003594.txt @@ -18,7 +18,7 @@ CH$LINK: CAS 6600-40-4 CH$LINK: CHEBI CHEBI:18314 CH$LINK: KEGG C01826 CH$LINK: NIKKAJI J9.213D -CH$LINK: PUBCHEM SID:4949 +CH$LINK: PUBCHEM CID:65098 CH$LINK: INCHIKEY SNDPXSYFESPGGJ-BYPYZUCNSA-N AC$INSTRUMENT: API3000, Applied Biosystems AC$INSTRUMENT_TYPE: LC-ESI-QQ diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO003595.txt b/Keio_Univ/MSBNK-Keio_Univ-KO003595.txt index dcdc9e80245..bb71232596c 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO003595.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO003595.txt @@ -18,7 +18,7 @@ CH$LINK: CAS 6600-40-4 CH$LINK: CHEBI CHEBI:18314 CH$LINK: KEGG C01826 CH$LINK: NIKKAJI J9.213D -CH$LINK: PUBCHEM SID:4949 +CH$LINK: PUBCHEM CID:65098 CH$LINK: INCHIKEY SNDPXSYFESPGGJ-BYPYZUCNSA-N AC$INSTRUMENT: API3000, Applied Biosystems AC$INSTRUMENT_TYPE: LC-ESI-QQ diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO003596.txt b/Keio_Univ/MSBNK-Keio_Univ-KO003596.txt index 4471779aeeb..427e7d9bf36 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO003596.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO003596.txt @@ -18,7 +18,7 @@ CH$LINK: CAS 6600-40-4 CH$LINK: CHEBI CHEBI:18314 CH$LINK: KEGG C01826 CH$LINK: NIKKAJI J9.213D -CH$LINK: PUBCHEM SID:4949 +CH$LINK: PUBCHEM CID:65098 CH$LINK: INCHIKEY SNDPXSYFESPGGJ-BYPYZUCNSA-N AC$INSTRUMENT: API3000, Applied Biosystems AC$INSTRUMENT_TYPE: LC-ESI-QQ diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO003597.txt b/Keio_Univ/MSBNK-Keio_Univ-KO003597.txt index 7d4d26312d0..7c776bf1071 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO003597.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO003597.txt @@ -21,7 +21,7 @@ CH$LINK: CHEBI CHEBI:18347 CH$LINK: CHEMPDB NLE CH$LINK: KEGG C01933 CH$LINK: NIKKAJI J9.189H -CH$LINK: PUBCHEM SID:5038 +CH$LINK: PUBCHEM CID:21236 CH$LINK: INCHIKEY LRQKBLKVPFOOQJ-YFKPBYRVSA-N CH$LINK: COMPTOX DTXSID70883362 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO003598.txt b/Keio_Univ/MSBNK-Keio_Univ-KO003598.txt index 861cb68b8e5..09fafb00dcb 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO003598.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO003598.txt @@ -21,7 +21,7 @@ CH$LINK: CHEBI CHEBI:18347 CH$LINK: CHEMPDB NLE CH$LINK: KEGG C01933 CH$LINK: NIKKAJI J9.189H -CH$LINK: PUBCHEM SID:5038 +CH$LINK: PUBCHEM CID:21236 CH$LINK: INCHIKEY LRQKBLKVPFOOQJ-YFKPBYRVSA-N CH$LINK: COMPTOX DTXSID70883362 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO003599.txt b/Keio_Univ/MSBNK-Keio_Univ-KO003599.txt index 8b06580816d..f290bf94f36 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO003599.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO003599.txt @@ -21,7 +21,7 @@ CH$LINK: CHEBI CHEBI:18347 CH$LINK: CHEMPDB NLE CH$LINK: KEGG C01933 CH$LINK: NIKKAJI J9.189H -CH$LINK: PUBCHEM SID:5038 +CH$LINK: PUBCHEM CID:21236 CH$LINK: INCHIKEY LRQKBLKVPFOOQJ-YFKPBYRVSA-N CH$LINK: COMPTOX DTXSID70883362 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO003600.txt b/Keio_Univ/MSBNK-Keio_Univ-KO003600.txt index a2bd8adf16f..2aa16a8aa32 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO003600.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO003600.txt @@ -21,7 +21,7 @@ CH$LINK: CHEBI CHEBI:18347 CH$LINK: CHEMPDB NLE CH$LINK: KEGG C01933 CH$LINK: NIKKAJI J9.189H -CH$LINK: PUBCHEM SID:5038 +CH$LINK: PUBCHEM CID:21236 CH$LINK: INCHIKEY LRQKBLKVPFOOQJ-YFKPBYRVSA-N CH$LINK: COMPTOX DTXSID70883362 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO003601.txt b/Keio_Univ/MSBNK-Keio_Univ-KO003601.txt index 14f6f4b619f..9d87e5f92b8 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO003601.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO003601.txt @@ -21,7 +21,7 @@ CH$LINK: CHEBI CHEBI:18347 CH$LINK: CHEMPDB NLE CH$LINK: KEGG C01933 CH$LINK: NIKKAJI J9.189H -CH$LINK: PUBCHEM SID:5038 +CH$LINK: PUBCHEM CID:21236 CH$LINK: INCHIKEY LRQKBLKVPFOOQJ-YFKPBYRVSA-N CH$LINK: COMPTOX DTXSID70883362 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO003602.txt b/Keio_Univ/MSBNK-Keio_Univ-KO003602.txt index 3af4183baf0..3aec6375ee9 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO003602.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO003602.txt @@ -16,7 +16,7 @@ CH$LINK: CAS 54-11-5 CH$LINK: CHEBI CHEBI:17688 CH$LINK: KEGG C00745 CH$LINK: NIKKAJI J9.266E -CH$LINK: PUBCHEM SID:4007 +CH$LINK: PUBCHEM CID:89594 CH$LINK: INCHIKEY SNICXCGAKADSCV-JTQLQIEISA-N CH$LINK: COMPTOX DTXSID1020930 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO003603.txt b/Keio_Univ/MSBNK-Keio_Univ-KO003603.txt index 9b668707b92..6642450f809 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO003603.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO003603.txt @@ -16,7 +16,7 @@ CH$LINK: CAS 54-11-5 CH$LINK: CHEBI CHEBI:17688 CH$LINK: KEGG C00745 CH$LINK: NIKKAJI J9.266E -CH$LINK: PUBCHEM SID:4007 +CH$LINK: PUBCHEM CID:89594 CH$LINK: INCHIKEY SNICXCGAKADSCV-JTQLQIEISA-N CH$LINK: COMPTOX DTXSID1020930 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO003604.txt b/Keio_Univ/MSBNK-Keio_Univ-KO003604.txt index 7119d4bf755..b6799c9412f 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO003604.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO003604.txt @@ -16,7 +16,7 @@ CH$LINK: CAS 54-11-5 CH$LINK: CHEBI CHEBI:17688 CH$LINK: KEGG C00745 CH$LINK: NIKKAJI J9.266E -CH$LINK: PUBCHEM SID:4007 +CH$LINK: PUBCHEM CID:89594 CH$LINK: INCHIKEY SNICXCGAKADSCV-JTQLQIEISA-N CH$LINK: COMPTOX DTXSID1020930 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO003605.txt b/Keio_Univ/MSBNK-Keio_Univ-KO003605.txt index 8af6913ef9c..ebe0ec68caa 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO003605.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO003605.txt @@ -16,7 +16,7 @@ CH$LINK: CAS 54-11-5 CH$LINK: CHEBI CHEBI:17688 CH$LINK: KEGG C00745 CH$LINK: NIKKAJI J9.266E -CH$LINK: PUBCHEM SID:4007 +CH$LINK: PUBCHEM CID:89594 CH$LINK: INCHIKEY SNICXCGAKADSCV-JTQLQIEISA-N CH$LINK: COMPTOX DTXSID1020930 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO003606.txt b/Keio_Univ/MSBNK-Keio_Univ-KO003606.txt index 791e3593495..ad24a2d54f7 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO003606.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO003606.txt @@ -16,7 +16,7 @@ CH$LINK: CAS 54-11-5 CH$LINK: CHEBI CHEBI:17688 CH$LINK: KEGG C00745 CH$LINK: NIKKAJI J9.266E -CH$LINK: PUBCHEM SID:4007 +CH$LINK: PUBCHEM CID:89594 CH$LINK: INCHIKEY SNICXCGAKADSCV-JTQLQIEISA-N CH$LINK: COMPTOX DTXSID1020930 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO003612.txt b/Keio_Univ/MSBNK-Keio_Univ-KO003612.txt index d6ef4f1d4a2..cce88a3c8e9 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO003612.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO003612.txt @@ -20,7 +20,7 @@ CH$LINK: CHEBI CHEBI:18357 CH$LINK: CHEMPDB LNR CH$LINK: KEGG C00547 CH$LINK: NIKKAJI J9.223A -CH$LINK: PUBCHEM SID:3828 +CH$LINK: PUBCHEM CID:439260 CH$LINK: INCHIKEY SFLSHLFXELFNJZ-QMMMGPOBSA-N CH$LINK: COMPTOX DTXSID5023378 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO003613.txt b/Keio_Univ/MSBNK-Keio_Univ-KO003613.txt index 9bdb515ac63..d168a3d9351 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO003613.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO003613.txt @@ -20,7 +20,7 @@ CH$LINK: CHEBI CHEBI:18357 CH$LINK: CHEMPDB LNR CH$LINK: KEGG C00547 CH$LINK: NIKKAJI J9.223A -CH$LINK: PUBCHEM SID:3828 +CH$LINK: PUBCHEM CID:439260 CH$LINK: INCHIKEY SFLSHLFXELFNJZ-QMMMGPOBSA-N CH$LINK: COMPTOX DTXSID5023378 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO003614.txt b/Keio_Univ/MSBNK-Keio_Univ-KO003614.txt index 5366ed3f1aa..14ed5a95103 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO003614.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO003614.txt @@ -20,7 +20,7 @@ CH$LINK: CHEBI CHEBI:18357 CH$LINK: CHEMPDB LNR CH$LINK: KEGG C00547 CH$LINK: NIKKAJI J9.223A -CH$LINK: PUBCHEM SID:3828 +CH$LINK: PUBCHEM CID:439260 CH$LINK: INCHIKEY SFLSHLFXELFNJZ-QMMMGPOBSA-N CH$LINK: COMPTOX DTXSID5023378 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO003615.txt b/Keio_Univ/MSBNK-Keio_Univ-KO003615.txt index bf3da7b566f..d490707c89d 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO003615.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO003615.txt @@ -20,7 +20,7 @@ CH$LINK: CHEBI CHEBI:18357 CH$LINK: CHEMPDB LNR CH$LINK: KEGG C00547 CH$LINK: NIKKAJI J9.223A -CH$LINK: PUBCHEM SID:3828 +CH$LINK: PUBCHEM CID:439260 CH$LINK: INCHIKEY SFLSHLFXELFNJZ-QMMMGPOBSA-N CH$LINK: COMPTOX DTXSID5023378 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO003616.txt b/Keio_Univ/MSBNK-Keio_Univ-KO003616.txt index fe155fe11b3..79bf9eabe0b 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO003616.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO003616.txt @@ -20,7 +20,7 @@ CH$LINK: CHEBI CHEBI:18357 CH$LINK: CHEMPDB LNR CH$LINK: KEGG C00547 CH$LINK: NIKKAJI J9.223A -CH$LINK: PUBCHEM SID:3828 +CH$LINK: PUBCHEM CID:439260 CH$LINK: INCHIKEY SFLSHLFXELFNJZ-QMMMGPOBSA-N CH$LINK: COMPTOX DTXSID5023378 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO003627.txt b/Keio_Univ/MSBNK-Keio_Univ-KO003627.txt index a9ebad43ff1..782ee02e3ac 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO003627.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO003627.txt @@ -14,7 +14,7 @@ CH$IUPAC: InChI=1S/C12H12N2O3/c1-3-14-6-9(12(16)17)10(15)8-5-4-7(2)13-11(8)14/h4 CH$LINK: CAS 389-08-2 CH$LINK: KEGG C05079 CH$LINK: NIKKAJI J2.039G -CH$LINK: PUBCHEM SID:7525 +CH$LINK: PUBCHEM CID:4421 CH$LINK: INCHIKEY MHWLWQUZZRMNGJ-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID3020912 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO003628.txt b/Keio_Univ/MSBNK-Keio_Univ-KO003628.txt index 0262d8d71bb..6c2d83349e0 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO003628.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO003628.txt @@ -14,7 +14,7 @@ CH$IUPAC: InChI=1S/C12H12N2O3/c1-3-14-6-9(12(16)17)10(15)8-5-4-7(2)13-11(8)14/h4 CH$LINK: CAS 389-08-2 CH$LINK: KEGG C05079 CH$LINK: NIKKAJI J2.039G -CH$LINK: PUBCHEM SID:7525 +CH$LINK: PUBCHEM CID:4421 CH$LINK: INCHIKEY MHWLWQUZZRMNGJ-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID3020912 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO003629.txt b/Keio_Univ/MSBNK-Keio_Univ-KO003629.txt index b197331fe9e..8595b27bc8c 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO003629.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO003629.txt @@ -14,7 +14,7 @@ CH$IUPAC: InChI=1S/C12H12N2O3/c1-3-14-6-9(12(16)17)10(15)8-5-4-7(2)13-11(8)14/h4 CH$LINK: CAS 389-08-2 CH$LINK: KEGG C05079 CH$LINK: NIKKAJI J2.039G -CH$LINK: PUBCHEM SID:7525 +CH$LINK: PUBCHEM CID:4421 CH$LINK: INCHIKEY MHWLWQUZZRMNGJ-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID3020912 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO003630.txt b/Keio_Univ/MSBNK-Keio_Univ-KO003630.txt index 68e11b53f2e..9947523f349 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO003630.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO003630.txt @@ -14,7 +14,7 @@ CH$IUPAC: InChI=1S/C12H12N2O3/c1-3-14-6-9(12(16)17)10(15)8-5-4-7(2)13-11(8)14/h4 CH$LINK: CAS 389-08-2 CH$LINK: KEGG C05079 CH$LINK: NIKKAJI J2.039G -CH$LINK: PUBCHEM SID:7525 +CH$LINK: PUBCHEM CID:4421 CH$LINK: INCHIKEY MHWLWQUZZRMNGJ-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID3020912 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO003631.txt b/Keio_Univ/MSBNK-Keio_Univ-KO003631.txt index 79f2f21ec07..bd053b471d1 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO003631.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO003631.txt @@ -14,7 +14,7 @@ CH$IUPAC: InChI=1S/C12H12N2O3/c1-3-14-6-9(12(16)17)10(15)8-5-4-7(2)13-11(8)14/h4 CH$LINK: CAS 389-08-2 CH$LINK: KEGG C05079 CH$LINK: NIKKAJI J2.039G -CH$LINK: PUBCHEM SID:7525 +CH$LINK: PUBCHEM CID:4421 CH$LINK: INCHIKEY MHWLWQUZZRMNGJ-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID3020912 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO003632.txt b/Keio_Univ/MSBNK-Keio_Univ-KO003632.txt index 76b93dd3dcf..7aac200b90d 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO003632.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO003632.txt @@ -18,7 +18,7 @@ CH$LINK: CHEBI CHEBI:15729 CH$LINK: CHEMPDB ORN CH$LINK: KEGG C00077 CH$LINK: NIKKAJI J9.177D -CH$LINK: PUBCHEM SID:3377 +CH$LINK: PUBCHEM CID:6262 CH$LINK: INCHIKEY AHLPHDHHMVZTML-BYPYZUCNSA-N CH$LINK: COMPTOX DTXSID00883219 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO003633.txt b/Keio_Univ/MSBNK-Keio_Univ-KO003633.txt index 8cbfb9560b4..532d0923e59 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO003633.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO003633.txt @@ -18,7 +18,7 @@ CH$LINK: CHEBI CHEBI:15729 CH$LINK: CHEMPDB ORN CH$LINK: KEGG C00077 CH$LINK: NIKKAJI J9.177D -CH$LINK: PUBCHEM SID:3377 +CH$LINK: PUBCHEM CID:6262 CH$LINK: INCHIKEY AHLPHDHHMVZTML-BYPYZUCNSA-N CH$LINK: COMPTOX DTXSID00883219 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO003634.txt b/Keio_Univ/MSBNK-Keio_Univ-KO003634.txt index efc83afece0..42a4e92851b 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO003634.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO003634.txt @@ -18,7 +18,7 @@ CH$LINK: CHEBI CHEBI:15729 CH$LINK: CHEMPDB ORN CH$LINK: KEGG C00077 CH$LINK: NIKKAJI J9.177D -CH$LINK: PUBCHEM SID:3377 +CH$LINK: PUBCHEM CID:6262 CH$LINK: INCHIKEY AHLPHDHHMVZTML-BYPYZUCNSA-N CH$LINK: COMPTOX DTXSID00883219 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO003635.txt b/Keio_Univ/MSBNK-Keio_Univ-KO003635.txt index 9935580987a..d5cd2018a95 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO003635.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO003635.txt @@ -18,7 +18,7 @@ CH$LINK: CHEBI CHEBI:15729 CH$LINK: CHEMPDB ORN CH$LINK: KEGG C00077 CH$LINK: NIKKAJI J9.177D -CH$LINK: PUBCHEM SID:3377 +CH$LINK: PUBCHEM CID:6262 CH$LINK: INCHIKEY AHLPHDHHMVZTML-BYPYZUCNSA-N CH$LINK: COMPTOX DTXSID00883219 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO003636.txt b/Keio_Univ/MSBNK-Keio_Univ-KO003636.txt index 7d048273788..45d47642345 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO003636.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO003636.txt @@ -18,7 +18,7 @@ CH$LINK: CHEBI CHEBI:15729 CH$LINK: CHEMPDB ORN CH$LINK: KEGG C00077 CH$LINK: NIKKAJI J9.177D -CH$LINK: PUBCHEM SID:3377 +CH$LINK: PUBCHEM CID:6262 CH$LINK: INCHIKEY AHLPHDHHMVZTML-BYPYZUCNSA-N CH$LINK: COMPTOX DTXSID00883219 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO003637.txt b/Keio_Univ/MSBNK-Keio_Univ-KO003637.txt index 0eead6778d5..ca37aeb5d9e 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO003637.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO003637.txt @@ -14,7 +14,7 @@ CH$LINK: CAS 348-66-3 CH$LINK: CHEBI CHEBI:16176 CH$LINK: KEGG C00515 CH$LINK: NIKKAJI J9.191J -CH$LINK: PUBCHEM SID:3798 +CH$LINK: PUBCHEM CID:71082 CH$LINK: INCHIKEY AHLPHDHHMVZTML-SCSAIBSYSA-N CH$LINK: COMPTOX DTXSID30883368 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO003638.txt b/Keio_Univ/MSBNK-Keio_Univ-KO003638.txt index 4ea1583dd0f..ab9d4d8910a 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO003638.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO003638.txt @@ -14,7 +14,7 @@ CH$LINK: CAS 348-66-3 CH$LINK: CHEBI CHEBI:16176 CH$LINK: KEGG C00515 CH$LINK: NIKKAJI J9.191J -CH$LINK: PUBCHEM SID:3798 +CH$LINK: PUBCHEM CID:71082 CH$LINK: INCHIKEY AHLPHDHHMVZTML-SCSAIBSYSA-N CH$LINK: COMPTOX DTXSID30883368 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO003639.txt b/Keio_Univ/MSBNK-Keio_Univ-KO003639.txt index 5ed8c9a97f0..f968636c28b 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO003639.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO003639.txt @@ -14,7 +14,7 @@ CH$LINK: CAS 348-66-3 CH$LINK: CHEBI CHEBI:16176 CH$LINK: KEGG C00515 CH$LINK: NIKKAJI J9.191J -CH$LINK: PUBCHEM SID:3798 +CH$LINK: PUBCHEM CID:71082 CH$LINK: INCHIKEY AHLPHDHHMVZTML-SCSAIBSYSA-N CH$LINK: COMPTOX DTXSID30883368 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO003640.txt b/Keio_Univ/MSBNK-Keio_Univ-KO003640.txt index f5f8d82fcf7..7e6c82cad77 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO003640.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO003640.txt @@ -14,7 +14,7 @@ CH$LINK: CAS 348-66-3 CH$LINK: CHEBI CHEBI:16176 CH$LINK: KEGG C00515 CH$LINK: NIKKAJI J9.191J -CH$LINK: PUBCHEM SID:3798 +CH$LINK: PUBCHEM CID:71082 CH$LINK: INCHIKEY AHLPHDHHMVZTML-SCSAIBSYSA-N CH$LINK: COMPTOX DTXSID30883368 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO003641.txt b/Keio_Univ/MSBNK-Keio_Univ-KO003641.txt index 289aa519460..684d739cc5e 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO003641.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO003641.txt @@ -14,7 +14,7 @@ CH$LINK: CAS 348-66-3 CH$LINK: CHEBI CHEBI:16176 CH$LINK: KEGG C00515 CH$LINK: NIKKAJI J9.191J -CH$LINK: PUBCHEM SID:3798 +CH$LINK: PUBCHEM CID:71082 CH$LINK: INCHIKEY AHLPHDHHMVZTML-SCSAIBSYSA-N CH$LINK: COMPTOX DTXSID30883368 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO003642.txt b/Keio_Univ/MSBNK-Keio_Univ-KO003642.txt index 3cee836b26d..0a0274b731c 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO003642.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO003642.txt @@ -15,7 +15,7 @@ CH$IUPAC: InChI=1S/C8H19N/c1-2-3-4-5-6-7-8-9/h2-9H2,1H3 CH$LINK: CAS 111-86-4 CH$LINK: KEGG C01740 CH$LINK: NIKKAJI J5.115B -CH$LINK: PUBCHEM SID:4875 +CH$LINK: PUBCHEM CID:8143 CH$LINK: INCHIKEY IOQPZZOEVPZRBK-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID8021939 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO003643.txt b/Keio_Univ/MSBNK-Keio_Univ-KO003643.txt index 5ee686b353d..cf29ecb4e3c 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO003643.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO003643.txt @@ -15,7 +15,7 @@ CH$IUPAC: InChI=1S/C8H19N/c1-2-3-4-5-6-7-8-9/h2-9H2,1H3 CH$LINK: CAS 111-86-4 CH$LINK: KEGG C01740 CH$LINK: NIKKAJI J5.115B -CH$LINK: PUBCHEM SID:4875 +CH$LINK: PUBCHEM CID:8143 CH$LINK: INCHIKEY IOQPZZOEVPZRBK-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID8021939 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO003644.txt b/Keio_Univ/MSBNK-Keio_Univ-KO003644.txt index 75047243194..0e86973db90 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO003644.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO003644.txt @@ -15,7 +15,7 @@ CH$IUPAC: InChI=1S/C8H19N/c1-2-3-4-5-6-7-8-9/h2-9H2,1H3 CH$LINK: CAS 111-86-4 CH$LINK: KEGG C01740 CH$LINK: NIKKAJI J5.115B -CH$LINK: PUBCHEM SID:4875 +CH$LINK: PUBCHEM CID:8143 CH$LINK: INCHIKEY IOQPZZOEVPZRBK-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID8021939 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO003645.txt b/Keio_Univ/MSBNK-Keio_Univ-KO003645.txt index 88aea8c1e8e..b103c9e97a3 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO003645.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO003645.txt @@ -15,7 +15,7 @@ CH$IUPAC: InChI=1S/C8H19N/c1-2-3-4-5-6-7-8-9/h2-9H2,1H3 CH$LINK: CAS 111-86-4 CH$LINK: KEGG C01740 CH$LINK: NIKKAJI J5.115B -CH$LINK: PUBCHEM SID:4875 +CH$LINK: PUBCHEM CID:8143 CH$LINK: INCHIKEY IOQPZZOEVPZRBK-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID8021939 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO003646.txt b/Keio_Univ/MSBNK-Keio_Univ-KO003646.txt index 9e0b731cd10..bc3846fbc3e 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO003646.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO003646.txt @@ -15,7 +15,7 @@ CH$IUPAC: InChI=1S/C8H19N/c1-2-3-4-5-6-7-8-9/h2-9H2,1H3 CH$LINK: CAS 111-86-4 CH$LINK: KEGG C01740 CH$LINK: NIKKAJI J5.115B -CH$LINK: PUBCHEM SID:4875 +CH$LINK: PUBCHEM CID:8143 CH$LINK: INCHIKEY IOQPZZOEVPZRBK-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID8021939 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO003647.txt b/Keio_Univ/MSBNK-Keio_Univ-KO003647.txt index dbdc584c77c..6e95ca0f0bb 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO003647.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO003647.txt @@ -17,7 +17,7 @@ CH$IUPAC: InChI=1S/C5H7NO3/c7-4-2-1-3(6-4)5(8)9/h3H,1-2H2,(H,6,7)(H,8,9)/t3-/m0/ CH$LINK: CAS 98-79-3 CH$LINK: KEGG C01879 CH$LINK: NIKKAJI J4.959J -CH$LINK: PUBCHEM SID:4992 +CH$LINK: PUBCHEM CID:7405 CH$LINK: INCHIKEY ODHCTXKNWHHXJC-VKHMYHEASA-N CH$LINK: COMPTOX DTXSID6046260 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO003648.txt b/Keio_Univ/MSBNK-Keio_Univ-KO003648.txt index f3ef7a40635..b9640594c24 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO003648.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO003648.txt @@ -17,7 +17,7 @@ CH$IUPAC: InChI=1S/C5H7NO3/c7-4-2-1-3(6-4)5(8)9/h3H,1-2H2,(H,6,7)(H,8,9)/t3-/m0/ CH$LINK: CAS 98-79-3 CH$LINK: KEGG C01879 CH$LINK: NIKKAJI J4.959J -CH$LINK: PUBCHEM SID:4992 +CH$LINK: PUBCHEM CID:7405 CH$LINK: INCHIKEY ODHCTXKNWHHXJC-VKHMYHEASA-N CH$LINK: COMPTOX DTXSID6046260 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO003649.txt b/Keio_Univ/MSBNK-Keio_Univ-KO003649.txt index 645c18232fe..4448a99c07f 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO003649.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO003649.txt @@ -17,7 +17,7 @@ CH$IUPAC: InChI=1S/C5H7NO3/c7-4-2-1-3(6-4)5(8)9/h3H,1-2H2,(H,6,7)(H,8,9)/t3-/m0/ CH$LINK: CAS 98-79-3 CH$LINK: KEGG C01879 CH$LINK: NIKKAJI J4.959J -CH$LINK: PUBCHEM SID:4992 +CH$LINK: PUBCHEM CID:7405 CH$LINK: INCHIKEY ODHCTXKNWHHXJC-VKHMYHEASA-N CH$LINK: COMPTOX DTXSID6046260 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO003650.txt b/Keio_Univ/MSBNK-Keio_Univ-KO003650.txt index ace3a18fb08..1be363d97f6 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO003650.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO003650.txt @@ -17,7 +17,7 @@ CH$IUPAC: InChI=1S/C5H7NO3/c7-4-2-1-3(6-4)5(8)9/h3H,1-2H2,(H,6,7)(H,8,9)/t3-/m0/ CH$LINK: CAS 98-79-3 CH$LINK: KEGG C01879 CH$LINK: NIKKAJI J4.959J -CH$LINK: PUBCHEM SID:4992 +CH$LINK: PUBCHEM CID:7405 CH$LINK: INCHIKEY ODHCTXKNWHHXJC-VKHMYHEASA-N CH$LINK: COMPTOX DTXSID6046260 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO003651.txt b/Keio_Univ/MSBNK-Keio_Univ-KO003651.txt index 0727739a8e6..4cfb2c9f787 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO003651.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO003651.txt @@ -17,7 +17,7 @@ CH$IUPAC: InChI=1S/C5H7NO3/c7-4-2-1-3(6-4)5(8)9/h3H,1-2H2,(H,6,7)(H,8,9)/t3-/m0/ CH$LINK: CAS 98-79-3 CH$LINK: KEGG C01879 CH$LINK: NIKKAJI J4.959J -CH$LINK: PUBCHEM SID:4992 +CH$LINK: PUBCHEM CID:7405 CH$LINK: INCHIKEY ODHCTXKNWHHXJC-VKHMYHEASA-N CH$LINK: COMPTOX DTXSID6046260 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO003657.txt b/Keio_Univ/MSBNK-Keio_Univ-KO003657.txt index 6ea5763e7c5..8b43f471346 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO003657.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO003657.txt @@ -16,7 +16,7 @@ CH$LINK: CAS 2149-82-8 CH$LINK: CHEBI CHEBI:15842 CH$LINK: KEGG C01103 CH$LINK: NIKKAJI J13.801K -CH$LINK: PUBCHEM SID:4337 +CH$LINK: PUBCHEM CID:160617 CH$LINK: INCHIKEY KYOBSHFOBAOFBF-XVFCMESISA-N AC$INSTRUMENT: API3000, Applied Biosystems AC$INSTRUMENT_TYPE: LC-ESI-QQ diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO003658.txt b/Keio_Univ/MSBNK-Keio_Univ-KO003658.txt index 772ee794d10..12445223b84 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO003658.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO003658.txt @@ -16,7 +16,7 @@ CH$LINK: CAS 2149-82-8 CH$LINK: CHEBI CHEBI:15842 CH$LINK: KEGG C01103 CH$LINK: NIKKAJI J13.801K -CH$LINK: PUBCHEM SID:4337 +CH$LINK: PUBCHEM CID:160617 CH$LINK: INCHIKEY KYOBSHFOBAOFBF-XVFCMESISA-N AC$INSTRUMENT: API3000, Applied Biosystems AC$INSTRUMENT_TYPE: LC-ESI-QQ diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO003659.txt b/Keio_Univ/MSBNK-Keio_Univ-KO003659.txt index 8b97e579d1f..5fa34d8877a 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO003659.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO003659.txt @@ -16,7 +16,7 @@ CH$LINK: CAS 2149-82-8 CH$LINK: CHEBI CHEBI:15842 CH$LINK: KEGG C01103 CH$LINK: NIKKAJI J13.801K -CH$LINK: PUBCHEM SID:4337 +CH$LINK: PUBCHEM CID:160617 CH$LINK: INCHIKEY KYOBSHFOBAOFBF-XVFCMESISA-N AC$INSTRUMENT: API3000, Applied Biosystems AC$INSTRUMENT_TYPE: LC-ESI-QQ diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO003660.txt b/Keio_Univ/MSBNK-Keio_Univ-KO003660.txt index 35a566f86ee..91b06f8fdc0 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO003660.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO003660.txt @@ -16,7 +16,7 @@ CH$LINK: CAS 2149-82-8 CH$LINK: CHEBI CHEBI:15842 CH$LINK: KEGG C01103 CH$LINK: NIKKAJI J13.801K -CH$LINK: PUBCHEM SID:4337 +CH$LINK: PUBCHEM CID:160617 CH$LINK: INCHIKEY KYOBSHFOBAOFBF-XVFCMESISA-N AC$INSTRUMENT: API3000, Applied Biosystems AC$INSTRUMENT_TYPE: LC-ESI-QQ diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO003671.txt b/Keio_Univ/MSBNK-Keio_Univ-KO003671.txt index 119bb096f61..9878e8db3b6 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO003671.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO003671.txt @@ -18,7 +18,7 @@ CH$LINK: CHEBI CHEBI:17203 CH$LINK: CHEMPDB PRO CH$LINK: KEGG C00148 CH$LINK: NIKKAJI J9.117K -CH$LINK: PUBCHEM SID:3448 +CH$LINK: PUBCHEM CID:145742 CH$LINK: INCHIKEY ONIBWKKTOPOVIA-BYPYZUCNSA-N CH$LINK: COMPTOX DTXSID5044021 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO003672.txt b/Keio_Univ/MSBNK-Keio_Univ-KO003672.txt index 38e4db429b7..4e8d91d9b0f 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO003672.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO003672.txt @@ -18,7 +18,7 @@ CH$LINK: CHEBI CHEBI:17203 CH$LINK: CHEMPDB PRO CH$LINK: KEGG C00148 CH$LINK: NIKKAJI J9.117K -CH$LINK: PUBCHEM SID:3448 +CH$LINK: PUBCHEM CID:145742 CH$LINK: INCHIKEY ONIBWKKTOPOVIA-BYPYZUCNSA-N CH$LINK: COMPTOX DTXSID5044021 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO003673.txt b/Keio_Univ/MSBNK-Keio_Univ-KO003673.txt index 0e4a91ef5d1..79a5519af2b 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO003673.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO003673.txt @@ -18,7 +18,7 @@ CH$LINK: CHEBI CHEBI:17203 CH$LINK: CHEMPDB PRO CH$LINK: KEGG C00148 CH$LINK: NIKKAJI J9.117K -CH$LINK: PUBCHEM SID:3448 +CH$LINK: PUBCHEM CID:145742 CH$LINK: INCHIKEY ONIBWKKTOPOVIA-BYPYZUCNSA-N CH$LINK: COMPTOX DTXSID5044021 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO003674.txt b/Keio_Univ/MSBNK-Keio_Univ-KO003674.txt index e8fe1025177..9ef28fc90d1 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO003674.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO003674.txt @@ -18,7 +18,7 @@ CH$LINK: CHEBI CHEBI:17203 CH$LINK: CHEMPDB PRO CH$LINK: KEGG C00148 CH$LINK: NIKKAJI J9.117K -CH$LINK: PUBCHEM SID:3448 +CH$LINK: PUBCHEM CID:145742 CH$LINK: INCHIKEY ONIBWKKTOPOVIA-BYPYZUCNSA-N CH$LINK: COMPTOX DTXSID5044021 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO003675.txt b/Keio_Univ/MSBNK-Keio_Univ-KO003675.txt index 0faf6ce8e73..f1c284bc5ff 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO003675.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO003675.txt @@ -18,7 +18,7 @@ CH$LINK: CHEBI CHEBI:17203 CH$LINK: CHEMPDB PRO CH$LINK: KEGG C00148 CH$LINK: NIKKAJI J9.117K -CH$LINK: PUBCHEM SID:3448 +CH$LINK: PUBCHEM CID:145742 CH$LINK: INCHIKEY ONIBWKKTOPOVIA-BYPYZUCNSA-N CH$LINK: COMPTOX DTXSID5044021 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO003676.txt b/Keio_Univ/MSBNK-Keio_Univ-KO003676.txt index d3a2abbf9c7..760574ae162 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO003676.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO003676.txt @@ -17,7 +17,7 @@ CH$LINK: CHEBI CHEBI:26055 CH$LINK: CHEMPDB PEP CH$LINK: KEGG C00074 CH$LINK: NIKKAJI J9.706C -CH$LINK: PUBCHEM SID:3374 +CH$LINK: PUBCHEM CID:1005 CH$LINK: INCHIKEY DTBNBXWJWCWCIK-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID80861797 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO003677.txt b/Keio_Univ/MSBNK-Keio_Univ-KO003677.txt index 6b505f42c3d..b711c859207 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO003677.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO003677.txt @@ -17,7 +17,7 @@ CH$LINK: CHEBI CHEBI:26055 CH$LINK: CHEMPDB PEP CH$LINK: KEGG C00074 CH$LINK: NIKKAJI J9.706C -CH$LINK: PUBCHEM SID:3374 +CH$LINK: PUBCHEM CID:1005 CH$LINK: INCHIKEY DTBNBXWJWCWCIK-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID80861797 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO003678.txt b/Keio_Univ/MSBNK-Keio_Univ-KO003678.txt index 35073ef9212..e58a63212a5 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO003678.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO003678.txt @@ -17,7 +17,7 @@ CH$LINK: CHEBI CHEBI:26055 CH$LINK: CHEMPDB PEP CH$LINK: KEGG C00074 CH$LINK: NIKKAJI J9.706C -CH$LINK: PUBCHEM SID:3374 +CH$LINK: PUBCHEM CID:1005 CH$LINK: INCHIKEY DTBNBXWJWCWCIK-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID80861797 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO003679.txt b/Keio_Univ/MSBNK-Keio_Univ-KO003679.txt index 5f45060ca5e..2f1883cc384 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO003679.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO003679.txt @@ -17,7 +17,7 @@ CH$LINK: CHEBI CHEBI:26055 CH$LINK: CHEMPDB PEP CH$LINK: KEGG C00074 CH$LINK: NIKKAJI J9.706C -CH$LINK: PUBCHEM SID:3374 +CH$LINK: PUBCHEM CID:1005 CH$LINK: INCHIKEY DTBNBXWJWCWCIK-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID80861797 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO003680.txt b/Keio_Univ/MSBNK-Keio_Univ-KO003680.txt index ad64771614b..53513bea9d8 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO003680.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO003680.txt @@ -17,7 +17,7 @@ CH$LINK: CHEBI CHEBI:26055 CH$LINK: CHEMPDB PEP CH$LINK: KEGG C00074 CH$LINK: NIKKAJI J9.706C -CH$LINK: PUBCHEM SID:3374 +CH$LINK: PUBCHEM CID:1005 CH$LINK: INCHIKEY DTBNBXWJWCWCIK-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID80861797 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO003681.txt b/Keio_Univ/MSBNK-Keio_Univ-KO003681.txt index c8cf93f2fc4..d565141c5d3 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO003681.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO003681.txt @@ -15,7 +15,7 @@ CH$LINK: CHEBI CHEBI:17310 CH$LINK: CHEMPDB PXL CH$LINK: KEGG C00250 CH$LINK: NIKKAJI J2.361B -CH$LINK: PUBCHEM SID:3549 +CH$LINK: PUBCHEM CID:1050 CH$LINK: INCHIKEY RADKZDMFGJYCBB-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID4046020 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO003682.txt b/Keio_Univ/MSBNK-Keio_Univ-KO003682.txt index 5ec7138578c..062c6f38b28 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO003682.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO003682.txt @@ -15,7 +15,7 @@ CH$LINK: CHEBI CHEBI:17310 CH$LINK: CHEMPDB PXL CH$LINK: KEGG C00250 CH$LINK: NIKKAJI J2.361B -CH$LINK: PUBCHEM SID:3549 +CH$LINK: PUBCHEM CID:1050 CH$LINK: INCHIKEY RADKZDMFGJYCBB-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID4046020 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO003683.txt b/Keio_Univ/MSBNK-Keio_Univ-KO003683.txt index 6c08f3fe8ba..6cc6daf7ba1 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO003683.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO003683.txt @@ -15,7 +15,7 @@ CH$LINK: CHEBI CHEBI:17310 CH$LINK: CHEMPDB PXL CH$LINK: KEGG C00250 CH$LINK: NIKKAJI J2.361B -CH$LINK: PUBCHEM SID:3549 +CH$LINK: PUBCHEM CID:1050 CH$LINK: INCHIKEY RADKZDMFGJYCBB-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID4046020 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO003684.txt b/Keio_Univ/MSBNK-Keio_Univ-KO003684.txt index 9c721e90b20..15df6fced11 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO003684.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO003684.txt @@ -15,7 +15,7 @@ CH$LINK: CHEBI CHEBI:17310 CH$LINK: CHEMPDB PXL CH$LINK: KEGG C00250 CH$LINK: NIKKAJI J2.361B -CH$LINK: PUBCHEM SID:3549 +CH$LINK: PUBCHEM CID:1050 CH$LINK: INCHIKEY RADKZDMFGJYCBB-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID4046020 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO003685.txt b/Keio_Univ/MSBNK-Keio_Univ-KO003685.txt index 5b717f25012..dd39d8277e7 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO003685.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO003685.txt @@ -15,7 +15,7 @@ CH$LINK: CHEBI CHEBI:17310 CH$LINK: CHEMPDB PXL CH$LINK: KEGG C00250 CH$LINK: NIKKAJI J2.361B -CH$LINK: PUBCHEM SID:3549 +CH$LINK: PUBCHEM CID:1050 CH$LINK: INCHIKEY RADKZDMFGJYCBB-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID4046020 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO003686.txt b/Keio_Univ/MSBNK-Keio_Univ-KO003686.txt index 60320cc76be..b32de3c1467 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO003686.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO003686.txt @@ -13,7 +13,7 @@ CH$SMILES: OC(COP(O)(O)=O)C(O)=O CH$IUPAC: InChI=1S/C3H7O7P/c4-2(3(5)6)1-10-11(7,8)9/h2,4H,1H2,(H,5,6)(H2,7,8,9) CH$LINK: CHEBI CHEBI:17050 CH$LINK: KEGG C00597 -CH$LINK: PUBCHEM SID:3874 +CH$LINK: PUBCHEM CID:724 CH$LINK: INCHIKEY OSJPPGNTCRNQQC-UHFFFAOYSA-N AC$INSTRUMENT: API3000, Applied Biosystems AC$INSTRUMENT_TYPE: LC-ESI-QQ diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO003687.txt b/Keio_Univ/MSBNK-Keio_Univ-KO003687.txt index 5b3c959d10e..60dbb586315 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO003687.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO003687.txt @@ -13,7 +13,7 @@ CH$SMILES: OC(COP(O)(O)=O)C(O)=O CH$IUPAC: InChI=1S/C3H7O7P/c4-2(3(5)6)1-10-11(7,8)9/h2,4H,1H2,(H,5,6)(H2,7,8,9) CH$LINK: CHEBI CHEBI:17050 CH$LINK: KEGG C00597 -CH$LINK: PUBCHEM SID:3874 +CH$LINK: PUBCHEM CID:724 CH$LINK: INCHIKEY OSJPPGNTCRNQQC-UHFFFAOYSA-N AC$INSTRUMENT: API3000, Applied Biosystems AC$INSTRUMENT_TYPE: LC-ESI-QQ diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO003688.txt b/Keio_Univ/MSBNK-Keio_Univ-KO003688.txt index 72b39db7fb9..c24261a3178 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO003688.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO003688.txt @@ -13,7 +13,7 @@ CH$SMILES: OC(COP(O)(O)=O)C(O)=O CH$IUPAC: InChI=1S/C3H7O7P/c4-2(3(5)6)1-10-11(7,8)9/h2,4H,1H2,(H,5,6)(H2,7,8,9) CH$LINK: CHEBI CHEBI:17050 CH$LINK: KEGG C00597 -CH$LINK: PUBCHEM SID:3874 +CH$LINK: PUBCHEM CID:724 CH$LINK: INCHIKEY OSJPPGNTCRNQQC-UHFFFAOYSA-N AC$INSTRUMENT: API3000, Applied Biosystems AC$INSTRUMENT_TYPE: LC-ESI-QQ diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO003689.txt b/Keio_Univ/MSBNK-Keio_Univ-KO003689.txt index ed80939f208..91f0000366a 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO003689.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO003689.txt @@ -13,7 +13,7 @@ CH$SMILES: OC(COP(O)(O)=O)C(O)=O CH$IUPAC: InChI=1S/C3H7O7P/c4-2(3(5)6)1-10-11(7,8)9/h2,4H,1H2,(H,5,6)(H2,7,8,9) CH$LINK: CHEBI CHEBI:17050 CH$LINK: KEGG C00597 -CH$LINK: PUBCHEM SID:3874 +CH$LINK: PUBCHEM CID:724 CH$LINK: INCHIKEY OSJPPGNTCRNQQC-UHFFFAOYSA-N AC$INSTRUMENT: API3000, Applied Biosystems AC$INSTRUMENT_TYPE: LC-ESI-QQ diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO003690.txt b/Keio_Univ/MSBNK-Keio_Univ-KO003690.txt index 7715a5b92fb..f655f134d78 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO003690.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO003690.txt @@ -14,7 +14,7 @@ CH$SMILES: OC[C@H](C(O)=O)OP(O)(O)=O CH$IUPAC: InChI=1S/C3H7O7P/c4-1-2(3(5)6)10-11(7,8)9/h2,4H,1H2,(H,5,6)(H2,7,8,9)/t2-/m1/s1 CH$LINK: CHEBI CHEBI:17835 CH$LINK: KEGG C00631 -CH$LINK: PUBCHEM SID:3904 +CH$LINK: PUBCHEM CID:439278 CH$LINK: INCHIKEY GXIURPTVHJPJLF-UWTATZPHSA-N AC$INSTRUMENT: API3000, Applied Biosystems AC$INSTRUMENT_TYPE: LC-ESI-QQ diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO003691.txt b/Keio_Univ/MSBNK-Keio_Univ-KO003691.txt index 97092a07f82..9367f64856f 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO003691.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO003691.txt @@ -14,7 +14,7 @@ CH$SMILES: OC[C@H](C(O)=O)OP(O)(O)=O CH$IUPAC: InChI=1S/C3H7O7P/c4-1-2(3(5)6)10-11(7,8)9/h2,4H,1H2,(H,5,6)(H2,7,8,9)/t2-/m1/s1 CH$LINK: CHEBI CHEBI:17835 CH$LINK: KEGG C00631 -CH$LINK: PUBCHEM SID:3904 +CH$LINK: PUBCHEM CID:439278 CH$LINK: INCHIKEY GXIURPTVHJPJLF-UWTATZPHSA-N AC$INSTRUMENT: API3000, Applied Biosystems AC$INSTRUMENT_TYPE: LC-ESI-QQ diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO003692.txt b/Keio_Univ/MSBNK-Keio_Univ-KO003692.txt index 52347c047ef..dbda9e650d0 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO003692.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO003692.txt @@ -14,7 +14,7 @@ CH$SMILES: OC[C@H](C(O)=O)OP(O)(O)=O CH$IUPAC: InChI=1S/C3H7O7P/c4-1-2(3(5)6)10-11(7,8)9/h2,4H,1H2,(H,5,6)(H2,7,8,9)/t2-/m1/s1 CH$LINK: CHEBI CHEBI:17835 CH$LINK: KEGG C00631 -CH$LINK: PUBCHEM SID:3904 +CH$LINK: PUBCHEM CID:439278 CH$LINK: INCHIKEY GXIURPTVHJPJLF-UWTATZPHSA-N AC$INSTRUMENT: API3000, Applied Biosystems AC$INSTRUMENT_TYPE: LC-ESI-QQ diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO003693.txt b/Keio_Univ/MSBNK-Keio_Univ-KO003693.txt index 192ae2c3554..5efec38cfe4 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO003693.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO003693.txt @@ -14,7 +14,7 @@ CH$SMILES: OC[C@H](C(O)=O)OP(O)(O)=O CH$IUPAC: InChI=1S/C3H7O7P/c4-1-2(3(5)6)10-11(7,8)9/h2,4H,1H2,(H,5,6)(H2,7,8,9)/t2-/m1/s1 CH$LINK: CHEBI CHEBI:17835 CH$LINK: KEGG C00631 -CH$LINK: PUBCHEM SID:3904 +CH$LINK: PUBCHEM CID:439278 CH$LINK: INCHIKEY GXIURPTVHJPJLF-UWTATZPHSA-N AC$INSTRUMENT: API3000, Applied Biosystems AC$INSTRUMENT_TYPE: LC-ESI-QQ diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO003694.txt b/Keio_Univ/MSBNK-Keio_Univ-KO003694.txt index e463c822957..957a2d05ca6 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO003694.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO003694.txt @@ -14,7 +14,7 @@ CH$SMILES: OC[C@H](C(O)=O)OP(O)(O)=O CH$IUPAC: InChI=1S/C3H7O7P/c4-1-2(3(5)6)10-11(7,8)9/h2,4H,1H2,(H,5,6)(H2,7,8,9)/t2-/m1/s1 CH$LINK: CHEBI CHEBI:17835 CH$LINK: KEGG C00631 -CH$LINK: PUBCHEM SID:3904 +CH$LINK: PUBCHEM CID:439278 CH$LINK: INCHIKEY GXIURPTVHJPJLF-UWTATZPHSA-N AC$INSTRUMENT: API3000, Applied Biosystems AC$INSTRUMENT_TYPE: LC-ESI-QQ diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO003695.txt b/Keio_Univ/MSBNK-Keio_Univ-KO003695.txt index 005580724a2..4505a6987e3 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO003695.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO003695.txt @@ -17,7 +17,7 @@ CH$LINK: CAS 79-83-4 CH$LINK: CHEBI CHEBI:7916 CH$LINK: KEGG C00864 CH$LINK: NIKKAJI J4.242K -CH$LINK: PUBCHEM SID:4121 +CH$LINK: PUBCHEM CID:6613 CH$LINK: INCHIKEY GHOKWGTUZJEAQD-ZETCQYMHSA-N CH$LINK: COMPTOX DTXSID9023417 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO003696.txt b/Keio_Univ/MSBNK-Keio_Univ-KO003696.txt index 89dd41c1b3c..077fa4cb76c 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO003696.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO003696.txt @@ -17,7 +17,7 @@ CH$LINK: CAS 79-83-4 CH$LINK: CHEBI CHEBI:7916 CH$LINK: KEGG C00864 CH$LINK: NIKKAJI J4.242K -CH$LINK: PUBCHEM SID:4121 +CH$LINK: PUBCHEM CID:6613 CH$LINK: INCHIKEY GHOKWGTUZJEAQD-ZETCQYMHSA-N CH$LINK: COMPTOX DTXSID9023417 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO003697.txt b/Keio_Univ/MSBNK-Keio_Univ-KO003697.txt index 73d582033d6..785c87be3f8 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO003697.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO003697.txt @@ -17,7 +17,7 @@ CH$LINK: CAS 79-83-4 CH$LINK: CHEBI CHEBI:7916 CH$LINK: KEGG C00864 CH$LINK: NIKKAJI J4.242K -CH$LINK: PUBCHEM SID:4121 +CH$LINK: PUBCHEM CID:6613 CH$LINK: INCHIKEY GHOKWGTUZJEAQD-ZETCQYMHSA-N CH$LINK: COMPTOX DTXSID9023417 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO003698.txt b/Keio_Univ/MSBNK-Keio_Univ-KO003698.txt index 762378f408e..bb1c6bb726e 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO003698.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO003698.txt @@ -17,7 +17,7 @@ CH$LINK: CAS 79-83-4 CH$LINK: CHEBI CHEBI:7916 CH$LINK: KEGG C00864 CH$LINK: NIKKAJI J4.242K -CH$LINK: PUBCHEM SID:4121 +CH$LINK: PUBCHEM CID:6613 CH$LINK: INCHIKEY GHOKWGTUZJEAQD-ZETCQYMHSA-N CH$LINK: COMPTOX DTXSID9023417 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO003699.txt b/Keio_Univ/MSBNK-Keio_Univ-KO003699.txt index ddafb79d607..f659948fd5b 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO003699.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO003699.txt @@ -17,7 +17,7 @@ CH$LINK: CAS 79-83-4 CH$LINK: CHEBI CHEBI:7916 CH$LINK: KEGG C00864 CH$LINK: NIKKAJI J4.242K -CH$LINK: PUBCHEM SID:4121 +CH$LINK: PUBCHEM CID:6613 CH$LINK: INCHIKEY GHOKWGTUZJEAQD-ZETCQYMHSA-N CH$LINK: COMPTOX DTXSID9023417 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO003700.txt b/Keio_Univ/MSBNK-Keio_Univ-KO003700.txt index eaee5ba9d16..d66e6c28c2b 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO003700.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO003700.txt @@ -15,7 +15,7 @@ CH$IUPAC: InChI=1S/C6H7O4P/c7-11(8,9)10-6-4-2-1-3-5-6/h1-5H,(H2,7,8,9) CH$LINK: CAS 701-64-4 CH$LINK: KEGG C02734 CH$LINK: NIKKAJI J32.914B -CH$LINK: PUBCHEM SID:5695 +CH$LINK: PUBCHEM CID:12793 CH$LINK: INCHIKEY CMPQUABWPXYYSH-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID6044981 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO003701.txt b/Keio_Univ/MSBNK-Keio_Univ-KO003701.txt index 14a83d3347e..4ef6d741784 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO003701.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO003701.txt @@ -15,7 +15,7 @@ CH$IUPAC: InChI=1S/C6H7O4P/c7-11(8,9)10-6-4-2-1-3-5-6/h1-5H,(H2,7,8,9) CH$LINK: CAS 701-64-4 CH$LINK: KEGG C02734 CH$LINK: NIKKAJI J32.914B -CH$LINK: PUBCHEM SID:5695 +CH$LINK: PUBCHEM CID:12793 CH$LINK: INCHIKEY CMPQUABWPXYYSH-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID6044981 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO003702.txt b/Keio_Univ/MSBNK-Keio_Univ-KO003702.txt index 57ef5dec958..36041fcac29 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO003702.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO003702.txt @@ -15,7 +15,7 @@ CH$IUPAC: InChI=1S/C6H7O4P/c7-11(8,9)10-6-4-2-1-3-5-6/h1-5H,(H2,7,8,9) CH$LINK: CAS 701-64-4 CH$LINK: KEGG C02734 CH$LINK: NIKKAJI J32.914B -CH$LINK: PUBCHEM SID:5695 +CH$LINK: PUBCHEM CID:12793 CH$LINK: INCHIKEY CMPQUABWPXYYSH-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID6044981 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO003703.txt b/Keio_Univ/MSBNK-Keio_Univ-KO003703.txt index cbbe20966f2..c95147c112c 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO003703.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO003703.txt @@ -15,7 +15,7 @@ CH$IUPAC: InChI=1S/C6H7O4P/c7-11(8,9)10-6-4-2-1-3-5-6/h1-5H,(H2,7,8,9) CH$LINK: CAS 701-64-4 CH$LINK: KEGG C02734 CH$LINK: NIKKAJI J32.914B -CH$LINK: PUBCHEM SID:5695 +CH$LINK: PUBCHEM CID:12793 CH$LINK: INCHIKEY CMPQUABWPXYYSH-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID6044981 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO003704.txt b/Keio_Univ/MSBNK-Keio_Univ-KO003704.txt index fb1354f111a..79a1e4f86a6 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO003704.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO003704.txt @@ -15,7 +15,7 @@ CH$IUPAC: InChI=1S/C6H7O4P/c7-11(8,9)10-6-4-2-1-3-5-6/h1-5H,(H2,7,8,9) CH$LINK: CAS 701-64-4 CH$LINK: KEGG C02734 CH$LINK: NIKKAJI J32.914B -CH$LINK: PUBCHEM SID:5695 +CH$LINK: PUBCHEM CID:12793 CH$LINK: INCHIKEY CMPQUABWPXYYSH-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID6044981 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO003705.txt b/Keio_Univ/MSBNK-Keio_Univ-KO003705.txt index 4f9932a8d71..de8aa5ff399 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO003705.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO003705.txt @@ -16,7 +16,7 @@ CH$LINK: CAS 110-89-4 CH$LINK: CHEBI CHEBI:18049 CH$LINK: KEGG C01746 CH$LINK: NIKKAJI J2.884C -CH$LINK: PUBCHEM SID:4880 +CH$LINK: PUBCHEM CID:8082 CH$LINK: INCHIKEY NQRYJNQNLNOLGT-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID6021165 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO003706.txt b/Keio_Univ/MSBNK-Keio_Univ-KO003706.txt index 818031793c3..d8d10f892e4 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO003706.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO003706.txt @@ -16,7 +16,7 @@ CH$LINK: CAS 110-89-4 CH$LINK: CHEBI CHEBI:18049 CH$LINK: KEGG C01746 CH$LINK: NIKKAJI J2.884C -CH$LINK: PUBCHEM SID:4880 +CH$LINK: PUBCHEM CID:8082 CH$LINK: INCHIKEY NQRYJNQNLNOLGT-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID6021165 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO003707.txt b/Keio_Univ/MSBNK-Keio_Univ-KO003707.txt index 5996a8f7044..88057a23944 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO003707.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO003707.txt @@ -16,7 +16,7 @@ CH$LINK: CAS 110-89-4 CH$LINK: CHEBI CHEBI:18049 CH$LINK: KEGG C01746 CH$LINK: NIKKAJI J2.884C -CH$LINK: PUBCHEM SID:4880 +CH$LINK: PUBCHEM CID:8082 CH$LINK: INCHIKEY NQRYJNQNLNOLGT-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID6021165 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO003708.txt b/Keio_Univ/MSBNK-Keio_Univ-KO003708.txt index 898808013d5..39c0319d65b 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO003708.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO003708.txt @@ -16,7 +16,7 @@ CH$LINK: CAS 110-89-4 CH$LINK: CHEBI CHEBI:18049 CH$LINK: KEGG C01746 CH$LINK: NIKKAJI J2.884C -CH$LINK: PUBCHEM SID:4880 +CH$LINK: PUBCHEM CID:8082 CH$LINK: INCHIKEY NQRYJNQNLNOLGT-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID6021165 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO003709.txt b/Keio_Univ/MSBNK-Keio_Univ-KO003709.txt index d8a8930ade0..b692a3b9345 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO003709.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO003709.txt @@ -16,7 +16,7 @@ CH$LINK: CAS 110-89-4 CH$LINK: CHEBI CHEBI:18049 CH$LINK: KEGG C01746 CH$LINK: NIKKAJI J2.884C -CH$LINK: PUBCHEM SID:4880 +CH$LINK: PUBCHEM CID:8082 CH$LINK: INCHIKEY NQRYJNQNLNOLGT-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID6021165 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO003710.txt b/Keio_Univ/MSBNK-Keio_Univ-KO003710.txt index 095fca19afc..37cf775e62f 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO003710.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO003710.txt @@ -19,7 +19,7 @@ CH$IUPAC: InChI=1S/C6H8N2/c7-5-2-1-3-6(8)4-5/h1-4H,7-8H2 CH$LINK: CAS 25265-76-3 108-45-2 CH$LINK: CHEBI CHEBI:8092 CH$LINK: KEGG C02454 -CH$LINK: PUBCHEM SID:5474 +CH$LINK: PUBCHEM CID:7935 CH$LINK: INCHIKEY WZCQRUWWHSTZEM-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID4021137 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO003711.txt b/Keio_Univ/MSBNK-Keio_Univ-KO003711.txt index d94e9c9ee09..b998f6a9f1e 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO003711.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO003711.txt @@ -19,7 +19,7 @@ CH$IUPAC: InChI=1S/C6H8N2/c7-5-2-1-3-6(8)4-5/h1-4H,7-8H2 CH$LINK: CAS 25265-76-3 108-45-2 CH$LINK: CHEBI CHEBI:8092 CH$LINK: KEGG C02454 -CH$LINK: PUBCHEM SID:5474 +CH$LINK: PUBCHEM CID:7935 CH$LINK: INCHIKEY WZCQRUWWHSTZEM-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID4021137 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO003712.txt b/Keio_Univ/MSBNK-Keio_Univ-KO003712.txt index 28ebe01baab..fde17ccd953 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO003712.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO003712.txt @@ -19,7 +19,7 @@ CH$IUPAC: InChI=1S/C6H8N2/c7-5-2-1-3-6(8)4-5/h1-4H,7-8H2 CH$LINK: CAS 25265-76-3 108-45-2 CH$LINK: CHEBI CHEBI:8092 CH$LINK: KEGG C02454 -CH$LINK: PUBCHEM SID:5474 +CH$LINK: PUBCHEM CID:7935 CH$LINK: INCHIKEY WZCQRUWWHSTZEM-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID4021137 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO003713.txt b/Keio_Univ/MSBNK-Keio_Univ-KO003713.txt index cb0d1eed744..bc0c3aa44e0 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO003713.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO003713.txt @@ -19,7 +19,7 @@ CH$IUPAC: InChI=1S/C6H8N2/c7-5-2-1-3-6(8)4-5/h1-4H,7-8H2 CH$LINK: CAS 25265-76-3 108-45-2 CH$LINK: CHEBI CHEBI:8092 CH$LINK: KEGG C02454 -CH$LINK: PUBCHEM SID:5474 +CH$LINK: PUBCHEM CID:7935 CH$LINK: INCHIKEY WZCQRUWWHSTZEM-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID4021137 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO003714.txt b/Keio_Univ/MSBNK-Keio_Univ-KO003714.txt index a31652d6c58..94614ef1da5 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO003714.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO003714.txt @@ -19,7 +19,7 @@ CH$IUPAC: InChI=1S/C6H8N2/c7-5-2-1-3-6(8)4-5/h1-4H,7-8H2 CH$LINK: CAS 25265-76-3 108-45-2 CH$LINK: CHEBI CHEBI:8092 CH$LINK: KEGG C02454 -CH$LINK: PUBCHEM SID:5474 +CH$LINK: PUBCHEM CID:7935 CH$LINK: INCHIKEY WZCQRUWWHSTZEM-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID4021137 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO003723.txt b/Keio_Univ/MSBNK-Keio_Univ-KO003723.txt index 1cc16661a8f..dd2d89decfb 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO003723.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO003723.txt @@ -15,7 +15,7 @@ CH$LINK: CAS 110-86-1 CH$LINK: CHEBI CHEBI:16227 CH$LINK: KEGG C00747 CH$LINK: NIKKAJI J2.883E -CH$LINK: PUBCHEM SID:4009 +CH$LINK: PUBCHEM CID:1049 CH$LINK: INCHIKEY JUJWROOIHBZHMG-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID9021924 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO003724.txt b/Keio_Univ/MSBNK-Keio_Univ-KO003724.txt index 4b266e3419e..a4d147e4a90 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO003724.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO003724.txt @@ -15,7 +15,7 @@ CH$LINK: CAS 110-86-1 CH$LINK: CHEBI CHEBI:16227 CH$LINK: KEGG C00747 CH$LINK: NIKKAJI J2.883E -CH$LINK: PUBCHEM SID:4009 +CH$LINK: PUBCHEM CID:1049 CH$LINK: INCHIKEY JUJWROOIHBZHMG-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID9021924 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO003725.txt b/Keio_Univ/MSBNK-Keio_Univ-KO003725.txt index 48444b75d6e..44923e66ab4 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO003725.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO003725.txt @@ -15,7 +15,7 @@ CH$LINK: CAS 110-86-1 CH$LINK: CHEBI CHEBI:16227 CH$LINK: KEGG C00747 CH$LINK: NIKKAJI J2.883E -CH$LINK: PUBCHEM SID:4009 +CH$LINK: PUBCHEM CID:1049 CH$LINK: INCHIKEY JUJWROOIHBZHMG-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID9021924 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO003726.txt b/Keio_Univ/MSBNK-Keio_Univ-KO003726.txt index 86a379a3ef1..d1020c22803 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO003726.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO003726.txt @@ -15,7 +15,7 @@ CH$LINK: CAS 110-86-1 CH$LINK: CHEBI CHEBI:16227 CH$LINK: KEGG C00747 CH$LINK: NIKKAJI J2.883E -CH$LINK: PUBCHEM SID:4009 +CH$LINK: PUBCHEM CID:1049 CH$LINK: INCHIKEY JUJWROOIHBZHMG-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID9021924 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO003727.txt b/Keio_Univ/MSBNK-Keio_Univ-KO003727.txt index 9ab358c931e..1f8aa7ba6d4 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO003727.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO003727.txt @@ -15,7 +15,7 @@ CH$LINK: CAS 110-86-1 CH$LINK: CHEBI CHEBI:16227 CH$LINK: KEGG C00747 CH$LINK: NIKKAJI J2.883E -CH$LINK: PUBCHEM SID:4009 +CH$LINK: PUBCHEM CID:1049 CH$LINK: INCHIKEY JUJWROOIHBZHMG-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID9021924 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO003728.txt b/Keio_Univ/MSBNK-Keio_Univ-KO003728.txt index decb751303c..9616f0ec79e 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO003728.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO003728.txt @@ -16,7 +16,7 @@ CH$LINK: CAS 98-98-6 CH$LINK: CHEBI CHEBI:28747 CH$LINK: KEGG C10164 CH$LINK: NIKKAJI J45.682I -CH$LINK: PUBCHEM SID:12350 +CH$LINK: PUBCHEM CID:1018 CH$LINK: INCHIKEY SIOXPEMLGUPBBT-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID7031903 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO003729.txt b/Keio_Univ/MSBNK-Keio_Univ-KO003729.txt index 582e766b61d..92ee5097832 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO003729.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO003729.txt @@ -16,7 +16,7 @@ CH$LINK: CAS 98-98-6 CH$LINK: CHEBI CHEBI:28747 CH$LINK: KEGG C10164 CH$LINK: NIKKAJI J45.682I -CH$LINK: PUBCHEM SID:12350 +CH$LINK: PUBCHEM CID:1018 CH$LINK: INCHIKEY SIOXPEMLGUPBBT-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID7031903 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO003730.txt b/Keio_Univ/MSBNK-Keio_Univ-KO003730.txt index b1e49df2d0c..43777535092 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO003730.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO003730.txt @@ -16,7 +16,7 @@ CH$LINK: CAS 98-98-6 CH$LINK: CHEBI CHEBI:28747 CH$LINK: KEGG C10164 CH$LINK: NIKKAJI J45.682I -CH$LINK: PUBCHEM SID:12350 +CH$LINK: PUBCHEM CID:1018 CH$LINK: INCHIKEY SIOXPEMLGUPBBT-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID7031903 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO003731.txt b/Keio_Univ/MSBNK-Keio_Univ-KO003731.txt index 869d6d08d8f..2fdf58f79db 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO003731.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO003731.txt @@ -16,7 +16,7 @@ CH$LINK: CAS 98-98-6 CH$LINK: CHEBI CHEBI:28747 CH$LINK: KEGG C10164 CH$LINK: NIKKAJI J45.682I -CH$LINK: PUBCHEM SID:12350 +CH$LINK: PUBCHEM CID:1018 CH$LINK: INCHIKEY SIOXPEMLGUPBBT-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID7031903 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO003732.txt b/Keio_Univ/MSBNK-Keio_Univ-KO003732.txt index c1aa113eb92..5ac55f9f5e6 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO003732.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO003732.txt @@ -16,7 +16,7 @@ CH$LINK: CAS 98-98-6 CH$LINK: CHEBI CHEBI:28747 CH$LINK: KEGG C10164 CH$LINK: NIKKAJI J45.682I -CH$LINK: PUBCHEM SID:12350 +CH$LINK: PUBCHEM CID:1018 CH$LINK: INCHIKEY SIOXPEMLGUPBBT-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID7031903 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO003733.txt b/Keio_Univ/MSBNK-Keio_Univ-KO003733.txt index 0b2dbe64c14..97a197d0eb4 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO003733.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO003733.txt @@ -15,7 +15,7 @@ CH$LINK: CAS 110-85-0 CH$LINK: CHEBI CHEBI:28568 CH$LINK: KEGG C07973 CH$LINK: NIKKAJI J1.981J -CH$LINK: PUBCHEM SID:10174 +CH$LINK: PUBCHEM CID:4837 CH$LINK: INCHIKEY GLUUGHFHXGJENI-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID1021164 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO003734.txt b/Keio_Univ/MSBNK-Keio_Univ-KO003734.txt index 5d11a4ab0aa..7f50869ceb7 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO003734.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO003734.txt @@ -15,7 +15,7 @@ CH$LINK: CAS 110-85-0 CH$LINK: CHEBI CHEBI:28568 CH$LINK: KEGG C07973 CH$LINK: NIKKAJI J1.981J -CH$LINK: PUBCHEM SID:10174 +CH$LINK: PUBCHEM CID:4837 CH$LINK: INCHIKEY GLUUGHFHXGJENI-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID1021164 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO003735.txt b/Keio_Univ/MSBNK-Keio_Univ-KO003735.txt index 0f3e053331a..2d28a09ec2f 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO003735.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO003735.txt @@ -15,7 +15,7 @@ CH$LINK: CAS 110-85-0 CH$LINK: CHEBI CHEBI:28568 CH$LINK: KEGG C07973 CH$LINK: NIKKAJI J1.981J -CH$LINK: PUBCHEM SID:10174 +CH$LINK: PUBCHEM CID:4837 CH$LINK: INCHIKEY GLUUGHFHXGJENI-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID1021164 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO003736.txt b/Keio_Univ/MSBNK-Keio_Univ-KO003736.txt index 4a5188f8c97..c675729c718 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO003736.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO003736.txt @@ -15,7 +15,7 @@ CH$LINK: CAS 110-85-0 CH$LINK: CHEBI CHEBI:28568 CH$LINK: KEGG C07973 CH$LINK: NIKKAJI J1.981J -CH$LINK: PUBCHEM SID:10174 +CH$LINK: PUBCHEM CID:4837 CH$LINK: INCHIKEY GLUUGHFHXGJENI-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID1021164 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO003737.txt b/Keio_Univ/MSBNK-Keio_Univ-KO003737.txt index 1357311673c..05d9d79bfd2 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO003737.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO003737.txt @@ -15,7 +15,7 @@ CH$LINK: CAS 110-85-0 CH$LINK: CHEBI CHEBI:28568 CH$LINK: KEGG C07973 CH$LINK: NIKKAJI J1.981J -CH$LINK: PUBCHEM SID:10174 +CH$LINK: PUBCHEM CID:4837 CH$LINK: INCHIKEY GLUUGHFHXGJENI-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID1021164 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO003738.txt b/Keio_Univ/MSBNK-Keio_Univ-KO003738.txt index 5bb38e61e7a..4e70bc6c877 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO003738.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO003738.txt @@ -17,7 +17,7 @@ CH$LINK: CAS 64-04-0 CH$LINK: CHEBI CHEBI:18397 CH$LINK: KEGG C05332 CH$LINK: NIKKAJI J4.833J -CH$LINK: PUBCHEM SID:7711 +CH$LINK: PUBCHEM CID:1001 CH$LINK: INCHIKEY BHHGXPLMPWCGHP-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID5058773 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO003739.txt b/Keio_Univ/MSBNK-Keio_Univ-KO003739.txt index a700904b8ca..82038e892ba 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO003739.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO003739.txt @@ -17,7 +17,7 @@ CH$LINK: CAS 64-04-0 CH$LINK: CHEBI CHEBI:18397 CH$LINK: KEGG C05332 CH$LINK: NIKKAJI J4.833J -CH$LINK: PUBCHEM SID:7711 +CH$LINK: PUBCHEM CID:1001 CH$LINK: INCHIKEY BHHGXPLMPWCGHP-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID5058773 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO003740.txt b/Keio_Univ/MSBNK-Keio_Univ-KO003740.txt index 8f995f86c31..3ac6bc8b0cd 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO003740.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO003740.txt @@ -17,7 +17,7 @@ CH$LINK: CAS 64-04-0 CH$LINK: CHEBI CHEBI:18397 CH$LINK: KEGG C05332 CH$LINK: NIKKAJI J4.833J -CH$LINK: PUBCHEM SID:7711 +CH$LINK: PUBCHEM CID:1001 CH$LINK: INCHIKEY BHHGXPLMPWCGHP-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID5058773 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO003741.txt b/Keio_Univ/MSBNK-Keio_Univ-KO003741.txt index 95c9ba97f77..6ff562967cf 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO003741.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO003741.txt @@ -17,7 +17,7 @@ CH$LINK: CAS 64-04-0 CH$LINK: CHEBI CHEBI:18397 CH$LINK: KEGG C05332 CH$LINK: NIKKAJI J4.833J -CH$LINK: PUBCHEM SID:7711 +CH$LINK: PUBCHEM CID:1001 CH$LINK: INCHIKEY BHHGXPLMPWCGHP-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID5058773 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO003742.txt b/Keio_Univ/MSBNK-Keio_Univ-KO003742.txt index 8769518c56c..04759c7de0e 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO003742.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO003742.txt @@ -17,7 +17,7 @@ CH$LINK: CAS 64-04-0 CH$LINK: CHEBI CHEBI:18397 CH$LINK: KEGG C05332 CH$LINK: NIKKAJI J4.833J -CH$LINK: PUBCHEM SID:7711 +CH$LINK: PUBCHEM CID:1001 CH$LINK: INCHIKEY BHHGXPLMPWCGHP-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID5058773 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO003743.txt b/Keio_Univ/MSBNK-Keio_Univ-KO003743.txt index aad47535718..3a666613dc9 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO003743.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO003743.txt @@ -19,7 +19,7 @@ CH$LINK: CAS 3105-95-1 CH$LINK: CHEBI CHEBI:30913 CH$LINK: KEGG C00408 CH$LINK: NIKKAJI J215.717I -CH$LINK: PUBCHEM SID:3698 +CH$LINK: PUBCHEM CID:439227 CH$LINK: INCHIKEY HXEACLLIILLPRG-YFKPBYRVSA-N AC$INSTRUMENT: API3000, Applied Biosystems AC$INSTRUMENT_TYPE: LC-ESI-QQ diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO003744.txt b/Keio_Univ/MSBNK-Keio_Univ-KO003744.txt index 60270d3eef1..032ceddbfbd 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO003744.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO003744.txt @@ -19,7 +19,7 @@ CH$LINK: CAS 3105-95-1 CH$LINK: CHEBI CHEBI:30913 CH$LINK: KEGG C00408 CH$LINK: NIKKAJI J215.717I -CH$LINK: PUBCHEM SID:3698 +CH$LINK: PUBCHEM CID:439227 CH$LINK: INCHIKEY HXEACLLIILLPRG-YFKPBYRVSA-N AC$INSTRUMENT: API3000, Applied Biosystems AC$INSTRUMENT_TYPE: LC-ESI-QQ diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO003745.txt b/Keio_Univ/MSBNK-Keio_Univ-KO003745.txt index e03ac0302a4..c84daf78e65 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO003745.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO003745.txt @@ -19,7 +19,7 @@ CH$LINK: CAS 3105-95-1 CH$LINK: CHEBI CHEBI:30913 CH$LINK: KEGG C00408 CH$LINK: NIKKAJI J215.717I -CH$LINK: PUBCHEM SID:3698 +CH$LINK: PUBCHEM CID:439227 CH$LINK: INCHIKEY HXEACLLIILLPRG-YFKPBYRVSA-N AC$INSTRUMENT: API3000, Applied Biosystems AC$INSTRUMENT_TYPE: LC-ESI-QQ diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO003746.txt b/Keio_Univ/MSBNK-Keio_Univ-KO003746.txt index eb3e44c283c..b26d4a24990 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO003746.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO003746.txt @@ -19,7 +19,7 @@ CH$LINK: CAS 3105-95-1 CH$LINK: CHEBI CHEBI:30913 CH$LINK: KEGG C00408 CH$LINK: NIKKAJI J215.717I -CH$LINK: PUBCHEM SID:3698 +CH$LINK: PUBCHEM CID:439227 CH$LINK: INCHIKEY HXEACLLIILLPRG-YFKPBYRVSA-N AC$INSTRUMENT: API3000, Applied Biosystems AC$INSTRUMENT_TYPE: LC-ESI-QQ diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO003747.txt b/Keio_Univ/MSBNK-Keio_Univ-KO003747.txt index 97d7d4a5cf2..fb3b8d13a6f 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO003747.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO003747.txt @@ -19,7 +19,7 @@ CH$LINK: CAS 3105-95-1 CH$LINK: CHEBI CHEBI:30913 CH$LINK: KEGG C00408 CH$LINK: NIKKAJI J215.717I -CH$LINK: PUBCHEM SID:3698 +CH$LINK: PUBCHEM CID:439227 CH$LINK: INCHIKEY HXEACLLIILLPRG-YFKPBYRVSA-N AC$INSTRUMENT: API3000, Applied Biosystems AC$INSTRUMENT_TYPE: LC-ESI-QQ diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO003753.txt b/Keio_Univ/MSBNK-Keio_Univ-KO003753.txt index c94dcf17ea8..189186762bc 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO003753.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO003753.txt @@ -15,7 +15,7 @@ CH$LINK: CAS 65-23-6 CH$LINK: CHEBI CHEBI:16709 CH$LINK: KEGG C00314 CH$LINK: NIKKAJI J2.356F -CH$LINK: PUBCHEM SID:3608 +CH$LINK: PUBCHEM CID:1054 CH$LINK: INCHIKEY LXNHXLLTXMVWPM-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID4023541 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO003754.txt b/Keio_Univ/MSBNK-Keio_Univ-KO003754.txt index 24a2e004b23..1306c4ad608 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO003754.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO003754.txt @@ -15,7 +15,7 @@ CH$LINK: CAS 65-23-6 CH$LINK: CHEBI CHEBI:16709 CH$LINK: KEGG C00314 CH$LINK: NIKKAJI J2.356F -CH$LINK: PUBCHEM SID:3608 +CH$LINK: PUBCHEM CID:1054 CH$LINK: INCHIKEY LXNHXLLTXMVWPM-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID4023541 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO003755.txt b/Keio_Univ/MSBNK-Keio_Univ-KO003755.txt index 49291b0ccb7..647b0badf7a 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO003755.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO003755.txt @@ -15,7 +15,7 @@ CH$LINK: CAS 65-23-6 CH$LINK: CHEBI CHEBI:16709 CH$LINK: KEGG C00314 CH$LINK: NIKKAJI J2.356F -CH$LINK: PUBCHEM SID:3608 +CH$LINK: PUBCHEM CID:1054 CH$LINK: INCHIKEY LXNHXLLTXMVWPM-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID4023541 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO003756.txt b/Keio_Univ/MSBNK-Keio_Univ-KO003756.txt index ec69be66f0d..0b782ad0afe 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO003756.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO003756.txt @@ -15,7 +15,7 @@ CH$LINK: CAS 65-23-6 CH$LINK: CHEBI CHEBI:16709 CH$LINK: KEGG C00314 CH$LINK: NIKKAJI J2.356F -CH$LINK: PUBCHEM SID:3608 +CH$LINK: PUBCHEM CID:1054 CH$LINK: INCHIKEY LXNHXLLTXMVWPM-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID4023541 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO003757.txt b/Keio_Univ/MSBNK-Keio_Univ-KO003757.txt index a25139a24e8..42c8dd2dc78 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO003757.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO003757.txt @@ -15,7 +15,7 @@ CH$LINK: CAS 65-23-6 CH$LINK: CHEBI CHEBI:16709 CH$LINK: KEGG C00314 CH$LINK: NIKKAJI J2.356F -CH$LINK: PUBCHEM SID:3608 +CH$LINK: PUBCHEM CID:1054 CH$LINK: INCHIKEY LXNHXLLTXMVWPM-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID4023541 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO003758.txt b/Keio_Univ/MSBNK-Keio_Univ-KO003758.txt index f66d68348ff..673a0d0bb62 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO003758.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO003758.txt @@ -13,7 +13,7 @@ CH$IUPAC: InChI=1S/C9H15NO/c1-10-7-3-2-4-8(10)6-9(11)5-7/h7-8H,2-6H2,1H3 CH$LINK: CAS 552-70-5 CH$LINK: KEGG C10865 CH$LINK: NIKKAJI J14.215H -CH$LINK: PUBCHEM SID:13048 +CH$LINK: PUBCHEM CID:11096 CH$LINK: INCHIKEY RHWSKVCZXBAWLZ-UHFFFAOYSA-N AC$INSTRUMENT: API3000, Applied Biosystems AC$INSTRUMENT_TYPE: LC-ESI-QQ diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO003759.txt b/Keio_Univ/MSBNK-Keio_Univ-KO003759.txt index 3f7c4bf4b08..7516e80b799 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO003759.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO003759.txt @@ -13,7 +13,7 @@ CH$IUPAC: InChI=1S/C9H15NO/c1-10-7-3-2-4-8(10)6-9(11)5-7/h7-8H,2-6H2,1H3 CH$LINK: CAS 552-70-5 CH$LINK: KEGG C10865 CH$LINK: NIKKAJI J14.215H -CH$LINK: PUBCHEM SID:13048 +CH$LINK: PUBCHEM CID:11096 CH$LINK: INCHIKEY RHWSKVCZXBAWLZ-UHFFFAOYSA-N AC$INSTRUMENT: API3000, Applied Biosystems AC$INSTRUMENT_TYPE: LC-ESI-QQ diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO003760.txt b/Keio_Univ/MSBNK-Keio_Univ-KO003760.txt index 5b8c8769b90..7128e7bec02 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO003760.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO003760.txt @@ -13,7 +13,7 @@ CH$IUPAC: InChI=1S/C9H15NO/c1-10-7-3-2-4-8(10)6-9(11)5-7/h7-8H,2-6H2,1H3 CH$LINK: CAS 552-70-5 CH$LINK: KEGG C10865 CH$LINK: NIKKAJI J14.215H -CH$LINK: PUBCHEM SID:13048 +CH$LINK: PUBCHEM CID:11096 CH$LINK: INCHIKEY RHWSKVCZXBAWLZ-UHFFFAOYSA-N AC$INSTRUMENT: API3000, Applied Biosystems AC$INSTRUMENT_TYPE: LC-ESI-QQ diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO003761.txt b/Keio_Univ/MSBNK-Keio_Univ-KO003761.txt index 4cee801bbe5..86920b389bf 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO003761.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO003761.txt @@ -13,7 +13,7 @@ CH$IUPAC: InChI=1S/C9H15NO/c1-10-7-3-2-4-8(10)6-9(11)5-7/h7-8H,2-6H2,1H3 CH$LINK: CAS 552-70-5 CH$LINK: KEGG C10865 CH$LINK: NIKKAJI J14.215H -CH$LINK: PUBCHEM SID:13048 +CH$LINK: PUBCHEM CID:11096 CH$LINK: INCHIKEY RHWSKVCZXBAWLZ-UHFFFAOYSA-N AC$INSTRUMENT: API3000, Applied Biosystems AC$INSTRUMENT_TYPE: LC-ESI-QQ diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO003762.txt b/Keio_Univ/MSBNK-Keio_Univ-KO003762.txt index 4c25b3fc5d1..4f96bc33eda 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO003762.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO003762.txt @@ -13,7 +13,7 @@ CH$IUPAC: InChI=1S/C9H15NO/c1-10-7-3-2-4-8(10)6-9(11)5-7/h7-8H,2-6H2,1H3 CH$LINK: CAS 552-70-5 CH$LINK: KEGG C10865 CH$LINK: NIKKAJI J14.215H -CH$LINK: PUBCHEM SID:13048 +CH$LINK: PUBCHEM CID:11096 CH$LINK: INCHIKEY RHWSKVCZXBAWLZ-UHFFFAOYSA-N AC$INSTRUMENT: API3000, Applied Biosystems AC$INSTRUMENT_TYPE: LC-ESI-QQ diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO003763.txt b/Keio_Univ/MSBNK-Keio_Univ-KO003763.txt index bf6a8425faa..25665b23517 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO003763.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO003763.txt @@ -13,7 +13,7 @@ CH$IUPAC: InChI=1S/C7H10N2OS/c1-2-3-5-4-6(10)9-7(11)8-5/h4H,2-3H2,1H3,(H2,8,9,10 CH$LINK: CAS 51-52-5 CH$LINK: KEGG C07569 CH$LINK: NIKKAJI J1.363C -CH$LINK: PUBCHEM SID:9772 +CH$LINK: PUBCHEM CID:657298 CH$LINK: INCHIKEY KNAHARQHSZJURB-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID5021209 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO003764.txt b/Keio_Univ/MSBNK-Keio_Univ-KO003764.txt index e547fb8803f..185f972d02f 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO003764.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO003764.txt @@ -13,7 +13,7 @@ CH$IUPAC: InChI=1S/C7H10N2OS/c1-2-3-5-4-6(10)9-7(11)8-5/h4H,2-3H2,1H3,(H2,8,9,10 CH$LINK: CAS 51-52-5 CH$LINK: KEGG C07569 CH$LINK: NIKKAJI J1.363C -CH$LINK: PUBCHEM SID:9772 +CH$LINK: PUBCHEM CID:657298 CH$LINK: INCHIKEY KNAHARQHSZJURB-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID5021209 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO003765.txt b/Keio_Univ/MSBNK-Keio_Univ-KO003765.txt index 9fbb8e6bcdc..ef1966e0a83 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO003765.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO003765.txt @@ -13,7 +13,7 @@ CH$IUPAC: InChI=1S/C7H10N2OS/c1-2-3-5-4-6(10)9-7(11)8-5/h4H,2-3H2,1H3,(H2,8,9,10 CH$LINK: CAS 51-52-5 CH$LINK: KEGG C07569 CH$LINK: NIKKAJI J1.363C -CH$LINK: PUBCHEM SID:9772 +CH$LINK: PUBCHEM CID:657298 CH$LINK: INCHIKEY KNAHARQHSZJURB-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID5021209 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO003766.txt b/Keio_Univ/MSBNK-Keio_Univ-KO003766.txt index b01d5485eae..2d8ec1a8fd4 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO003766.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO003766.txt @@ -13,7 +13,7 @@ CH$IUPAC: InChI=1S/C7H10N2OS/c1-2-3-5-4-6(10)9-7(11)8-5/h4H,2-3H2,1H3,(H2,8,9,10 CH$LINK: CAS 51-52-5 CH$LINK: KEGG C07569 CH$LINK: NIKKAJI J1.363C -CH$LINK: PUBCHEM SID:9772 +CH$LINK: PUBCHEM CID:657298 CH$LINK: INCHIKEY KNAHARQHSZJURB-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID5021209 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO003767.txt b/Keio_Univ/MSBNK-Keio_Univ-KO003767.txt index 5632746db90..8c4f21201cc 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO003767.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO003767.txt @@ -13,7 +13,7 @@ CH$IUPAC: InChI=1S/C7H10N2OS/c1-2-3-5-4-6(10)9-7(11)8-5/h4H,2-3H2,1H3,(H2,8,9,10 CH$LINK: CAS 51-52-5 CH$LINK: KEGG C07569 CH$LINK: NIKKAJI J1.363C -CH$LINK: PUBCHEM SID:9772 +CH$LINK: PUBCHEM CID:657298 CH$LINK: INCHIKEY KNAHARQHSZJURB-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID5021209 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO003773.txt b/Keio_Univ/MSBNK-Keio_Univ-KO003773.txt index 6a0f00cb99b..8d623c787d9 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO003773.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO003773.txt @@ -16,7 +16,7 @@ CH$LINK: CHEBI CHEBI:476 CH$LINK: CHEMPDB PHN CH$LINK: KEGG C00604 CH$LINK: NIKKAJI J4.844E -CH$LINK: PUBCHEM SID:3879 +CH$LINK: PUBCHEM CID:1318 CH$LINK: INCHIKEY DGEZNRSVGBDHLK-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID1025857 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO003774.txt b/Keio_Univ/MSBNK-Keio_Univ-KO003774.txt index b152c3f43cc..61c1fb4e3cb 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO003774.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO003774.txt @@ -16,7 +16,7 @@ CH$LINK: CHEBI CHEBI:476 CH$LINK: CHEMPDB PHN CH$LINK: KEGG C00604 CH$LINK: NIKKAJI J4.844E -CH$LINK: PUBCHEM SID:3879 +CH$LINK: PUBCHEM CID:1318 CH$LINK: INCHIKEY DGEZNRSVGBDHLK-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID1025857 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO003775.txt b/Keio_Univ/MSBNK-Keio_Univ-KO003775.txt index dc565f3ae1c..2d542de4afd 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO003775.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO003775.txt @@ -16,7 +16,7 @@ CH$LINK: CHEBI CHEBI:476 CH$LINK: CHEMPDB PHN CH$LINK: KEGG C00604 CH$LINK: NIKKAJI J4.844E -CH$LINK: PUBCHEM SID:3879 +CH$LINK: PUBCHEM CID:1318 CH$LINK: INCHIKEY DGEZNRSVGBDHLK-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID1025857 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO003776.txt b/Keio_Univ/MSBNK-Keio_Univ-KO003776.txt index 83e07c351eb..1f044ceee15 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO003776.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO003776.txt @@ -16,7 +16,7 @@ CH$LINK: CHEBI CHEBI:476 CH$LINK: CHEMPDB PHN CH$LINK: KEGG C00604 CH$LINK: NIKKAJI J4.844E -CH$LINK: PUBCHEM SID:3879 +CH$LINK: PUBCHEM CID:1318 CH$LINK: INCHIKEY DGEZNRSVGBDHLK-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID1025857 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO003777.txt b/Keio_Univ/MSBNK-Keio_Univ-KO003777.txt index d896eef36a4..f71a0141cc4 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO003777.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO003777.txt @@ -16,7 +16,7 @@ CH$LINK: CHEBI CHEBI:476 CH$LINK: CHEMPDB PHN CH$LINK: KEGG C00604 CH$LINK: NIKKAJI J4.844E -CH$LINK: PUBCHEM SID:3879 +CH$LINK: PUBCHEM CID:1318 CH$LINK: INCHIKEY DGEZNRSVGBDHLK-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID1025857 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO003778.txt b/Keio_Univ/MSBNK-Keio_Univ-KO003778.txt index 6645a2bf601..ba688c83b5b 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO003778.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO003778.txt @@ -14,7 +14,7 @@ CH$IUPAC: InChI=1S/C9H13NO2/c1-10-6-9(12)7-3-2-4-8(11)5-7/h2-5,9-12H,6H2,1H3/t9- CH$LINK: CAS 59-42-7 CH$LINK: KEGG C07441 CH$LINK: NIKKAJI J8.601K -CH$LINK: PUBCHEM SID:9645 +CH$LINK: PUBCHEM CID:6041 CH$LINK: INCHIKEY SONNWYBIRXJNDC-VIFPVBQESA-N CH$LINK: COMPTOX DTXSID9023465 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO003779.txt b/Keio_Univ/MSBNK-Keio_Univ-KO003779.txt index c76b0a13d4b..d85878695e9 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO003779.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO003779.txt @@ -14,7 +14,7 @@ CH$IUPAC: InChI=1S/C9H13NO2/c1-10-6-9(12)7-3-2-4-8(11)5-7/h2-5,9-12H,6H2,1H3/t9- CH$LINK: CAS 59-42-7 CH$LINK: KEGG C07441 CH$LINK: NIKKAJI J8.601K -CH$LINK: PUBCHEM SID:9645 +CH$LINK: PUBCHEM CID:6041 CH$LINK: INCHIKEY SONNWYBIRXJNDC-VIFPVBQESA-N CH$LINK: COMPTOX DTXSID9023465 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO003780.txt b/Keio_Univ/MSBNK-Keio_Univ-KO003780.txt index cd84274dc63..a00a40c5fa2 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO003780.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO003780.txt @@ -14,7 +14,7 @@ CH$IUPAC: InChI=1S/C9H13NO2/c1-10-6-9(12)7-3-2-4-8(11)5-7/h2-5,9-12H,6H2,1H3/t9- CH$LINK: CAS 59-42-7 CH$LINK: KEGG C07441 CH$LINK: NIKKAJI J8.601K -CH$LINK: PUBCHEM SID:9645 +CH$LINK: PUBCHEM CID:6041 CH$LINK: INCHIKEY SONNWYBIRXJNDC-VIFPVBQESA-N CH$LINK: COMPTOX DTXSID9023465 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO003781.txt b/Keio_Univ/MSBNK-Keio_Univ-KO003781.txt index a1334066a6a..b61488090e5 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO003781.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO003781.txt @@ -14,7 +14,7 @@ CH$IUPAC: InChI=1S/C9H13NO2/c1-10-6-9(12)7-3-2-4-8(11)5-7/h2-5,9-12H,6H2,1H3/t9- CH$LINK: CAS 59-42-7 CH$LINK: KEGG C07441 CH$LINK: NIKKAJI J8.601K -CH$LINK: PUBCHEM SID:9645 +CH$LINK: PUBCHEM CID:6041 CH$LINK: INCHIKEY SONNWYBIRXJNDC-VIFPVBQESA-N CH$LINK: COMPTOX DTXSID9023465 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO003782.txt b/Keio_Univ/MSBNK-Keio_Univ-KO003782.txt index 07ea88af14b..cfd79e0285a 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO003782.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO003782.txt @@ -14,7 +14,7 @@ CH$IUPAC: InChI=1S/C9H13NO2/c1-10-6-9(12)7-3-2-4-8(11)5-7/h2-5,9-12H,6H2,1H3/t9- CH$LINK: CAS 59-42-7 CH$LINK: KEGG C07441 CH$LINK: NIKKAJI J8.601K -CH$LINK: PUBCHEM SID:9645 +CH$LINK: PUBCHEM CID:6041 CH$LINK: INCHIKEY SONNWYBIRXJNDC-VIFPVBQESA-N CH$LINK: COMPTOX DTXSID9023465 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO003783.txt b/Keio_Univ/MSBNK-Keio_Univ-KO003783.txt index 4600d3a52ff..55df4b7567a 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO003783.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO003783.txt @@ -17,7 +17,7 @@ CH$LINK: CAS 407-41-0 CH$LINK: CHEBI CHEBI:15811 CH$LINK: KEGG C01005 CH$LINK: NIKKAJI J136.545B -CH$LINK: PUBCHEM SID:4251 +CH$LINK: PUBCHEM CID:68841 CH$LINK: INCHIKEY BZQFBWGGLXLEPQ-REOHCLBHSA-N CH$LINK: COMPTOX DTXSID1046348 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO003784.txt b/Keio_Univ/MSBNK-Keio_Univ-KO003784.txt index 439dc60e6cf..311604ba3f1 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO003784.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO003784.txt @@ -17,7 +17,7 @@ CH$LINK: CAS 407-41-0 CH$LINK: CHEBI CHEBI:15811 CH$LINK: KEGG C01005 CH$LINK: NIKKAJI J136.545B -CH$LINK: PUBCHEM SID:4251 +CH$LINK: PUBCHEM CID:68841 CH$LINK: INCHIKEY BZQFBWGGLXLEPQ-REOHCLBHSA-N CH$LINK: COMPTOX DTXSID1046348 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO003785.txt b/Keio_Univ/MSBNK-Keio_Univ-KO003785.txt index 4821f85c430..9a7f31b24cc 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO003785.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO003785.txt @@ -17,7 +17,7 @@ CH$LINK: CAS 407-41-0 CH$LINK: CHEBI CHEBI:15811 CH$LINK: KEGG C01005 CH$LINK: NIKKAJI J136.545B -CH$LINK: PUBCHEM SID:4251 +CH$LINK: PUBCHEM CID:68841 CH$LINK: INCHIKEY BZQFBWGGLXLEPQ-REOHCLBHSA-N CH$LINK: COMPTOX DTXSID1046348 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO003786.txt b/Keio_Univ/MSBNK-Keio_Univ-KO003786.txt index 0e55e218b0b..05539f25c63 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO003786.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO003786.txt @@ -17,7 +17,7 @@ CH$LINK: CAS 407-41-0 CH$LINK: CHEBI CHEBI:15811 CH$LINK: KEGG C01005 CH$LINK: NIKKAJI J136.545B -CH$LINK: PUBCHEM SID:4251 +CH$LINK: PUBCHEM CID:68841 CH$LINK: INCHIKEY BZQFBWGGLXLEPQ-REOHCLBHSA-N CH$LINK: COMPTOX DTXSID1046348 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO003787.txt b/Keio_Univ/MSBNK-Keio_Univ-KO003787.txt index 02e402439d9..c5c6a54a75b 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO003787.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO003787.txt @@ -17,7 +17,7 @@ CH$LINK: CAS 407-41-0 CH$LINK: CHEBI CHEBI:15811 CH$LINK: KEGG C01005 CH$LINK: NIKKAJI J136.545B -CH$LINK: PUBCHEM SID:4251 +CH$LINK: PUBCHEM CID:68841 CH$LINK: INCHIKEY BZQFBWGGLXLEPQ-REOHCLBHSA-N CH$LINK: COMPTOX DTXSID1046348 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO003788.txt b/Keio_Univ/MSBNK-Keio_Univ-KO003788.txt index 986d77e8052..7c95fc22e3a 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO003788.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO003788.txt @@ -14,7 +14,7 @@ CH$IUPAC: InChI=1S/C12H14N2O2/c1-2-12(9-6-4-3-5-7-9)10(15)13-8-14-11(12)16/h3-7H CH$LINK: CAS 125-33-7 CH$LINK: KEGG C07371 CH$LINK: NIKKAJI J3.260C -CH$LINK: PUBCHEM SID:9575 +CH$LINK: PUBCHEM CID:4909 CH$LINK: INCHIKEY DQMZLTXERSFNPB-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID7023510 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO003789.txt b/Keio_Univ/MSBNK-Keio_Univ-KO003789.txt index e1539bb419c..afe33889731 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO003789.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO003789.txt @@ -14,7 +14,7 @@ CH$IUPAC: InChI=1S/C12H14N2O2/c1-2-12(9-6-4-3-5-7-9)10(15)13-8-14-11(12)16/h3-7H CH$LINK: CAS 125-33-7 CH$LINK: KEGG C07371 CH$LINK: NIKKAJI J3.260C -CH$LINK: PUBCHEM SID:9575 +CH$LINK: PUBCHEM CID:4909 CH$LINK: INCHIKEY DQMZLTXERSFNPB-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID7023510 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO003790.txt b/Keio_Univ/MSBNK-Keio_Univ-KO003790.txt index 088b4b6c40c..c26994d870b 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO003790.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO003790.txt @@ -14,7 +14,7 @@ CH$IUPAC: InChI=1S/C12H14N2O2/c1-2-12(9-6-4-3-5-7-9)10(15)13-8-14-11(12)16/h3-7H CH$LINK: CAS 125-33-7 CH$LINK: KEGG C07371 CH$LINK: NIKKAJI J3.260C -CH$LINK: PUBCHEM SID:9575 +CH$LINK: PUBCHEM CID:4909 CH$LINK: INCHIKEY DQMZLTXERSFNPB-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID7023510 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO003791.txt b/Keio_Univ/MSBNK-Keio_Univ-KO003791.txt index 074c31885b6..d6cc59dc559 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO003791.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO003791.txt @@ -14,7 +14,7 @@ CH$IUPAC: InChI=1S/C12H14N2O2/c1-2-12(9-6-4-3-5-7-9)10(15)13-8-14-11(12)16/h3-7H CH$LINK: CAS 125-33-7 CH$LINK: KEGG C07371 CH$LINK: NIKKAJI J3.260C -CH$LINK: PUBCHEM SID:9575 +CH$LINK: PUBCHEM CID:4909 CH$LINK: INCHIKEY DQMZLTXERSFNPB-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID7023510 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO003792.txt b/Keio_Univ/MSBNK-Keio_Univ-KO003792.txt index f94188824ba..899c23dfd41 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO003792.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO003792.txt @@ -14,7 +14,7 @@ CH$IUPAC: InChI=1S/C12H14N2O2/c1-2-12(9-6-4-3-5-7-9)10(15)13-8-14-11(12)16/h3-7H CH$LINK: CAS 125-33-7 CH$LINK: KEGG C07371 CH$LINK: NIKKAJI J3.260C -CH$LINK: PUBCHEM SID:9575 +CH$LINK: PUBCHEM CID:4909 CH$LINK: INCHIKEY DQMZLTXERSFNPB-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID7023510 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO003793.txt b/Keio_Univ/MSBNK-Keio_Univ-KO003793.txt index ea32de1a770..a08696fe4b4 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO003793.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO003793.txt @@ -18,7 +18,7 @@ CH$LINK: CAS 64-04-0 CH$LINK: CHEBI CHEBI:18397 CH$LINK: KEGG C05332 CH$LINK: NIKKAJI J4.833J -CH$LINK: PUBCHEM SID:7711 +CH$LINK: PUBCHEM CID:1001 CH$LINK: INCHIKEY BHHGXPLMPWCGHP-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID5058773 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO003794.txt b/Keio_Univ/MSBNK-Keio_Univ-KO003794.txt index d8b0355554e..aea39c0f41f 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO003794.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO003794.txt @@ -18,7 +18,7 @@ CH$LINK: CAS 64-04-0 CH$LINK: CHEBI CHEBI:18397 CH$LINK: KEGG C05332 CH$LINK: NIKKAJI J4.833J -CH$LINK: PUBCHEM SID:7711 +CH$LINK: PUBCHEM CID:1001 CH$LINK: INCHIKEY BHHGXPLMPWCGHP-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID5058773 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO003795.txt b/Keio_Univ/MSBNK-Keio_Univ-KO003795.txt index 17b51029097..a7999c45b0b 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO003795.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO003795.txt @@ -18,7 +18,7 @@ CH$LINK: CAS 64-04-0 CH$LINK: CHEBI CHEBI:18397 CH$LINK: KEGG C05332 CH$LINK: NIKKAJI J4.833J -CH$LINK: PUBCHEM SID:7711 +CH$LINK: PUBCHEM CID:1001 CH$LINK: INCHIKEY BHHGXPLMPWCGHP-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID5058773 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO003796.txt b/Keio_Univ/MSBNK-Keio_Univ-KO003796.txt index dc7166959da..4ecadab0203 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO003796.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO003796.txt @@ -18,7 +18,7 @@ CH$LINK: CAS 64-04-0 CH$LINK: CHEBI CHEBI:18397 CH$LINK: KEGG C05332 CH$LINK: NIKKAJI J4.833J -CH$LINK: PUBCHEM SID:7711 +CH$LINK: PUBCHEM CID:1001 CH$LINK: INCHIKEY BHHGXPLMPWCGHP-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID5058773 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO003797.txt b/Keio_Univ/MSBNK-Keio_Univ-KO003797.txt index 55edddb00b0..b350cea62b6 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO003797.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO003797.txt @@ -18,7 +18,7 @@ CH$LINK: CAS 64-04-0 CH$LINK: CHEBI CHEBI:18397 CH$LINK: KEGG C05332 CH$LINK: NIKKAJI J4.833J -CH$LINK: PUBCHEM SID:7711 +CH$LINK: PUBCHEM CID:1001 CH$LINK: INCHIKEY BHHGXPLMPWCGHP-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID5058773 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO003798.txt b/Keio_Univ/MSBNK-Keio_Univ-KO003798.txt index 8d15a96bf0f..9373fcdd770 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO003798.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO003798.txt @@ -16,7 +16,7 @@ CH$LINK: CAS 2238-90-6 CH$LINK: CHEBI CHEBI:16874 CH$LINK: KEGG C01747 CH$LINK: NIKKAJI J39.570F -CH$LINK: PUBCHEM SID:4881 +CH$LINK: PUBCHEM CID:5280458 CH$LINK: INCHIKEY HHJTWTPUPVQKNA-PIIMIWFASA-N AC$INSTRUMENT: API3000, Applied Biosystems AC$INSTRUMENT_TYPE: LC-ESI-QQ diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO003799.txt b/Keio_Univ/MSBNK-Keio_Univ-KO003799.txt index 1134fd983cc..89db90d5549 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO003799.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO003799.txt @@ -16,7 +16,7 @@ CH$LINK: CAS 2238-90-6 CH$LINK: CHEBI CHEBI:16874 CH$LINK: KEGG C01747 CH$LINK: NIKKAJI J39.570F -CH$LINK: PUBCHEM SID:4881 +CH$LINK: PUBCHEM CID:5280458 CH$LINK: INCHIKEY HHJTWTPUPVQKNA-PIIMIWFASA-N AC$INSTRUMENT: API3000, Applied Biosystems AC$INSTRUMENT_TYPE: LC-ESI-QQ diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO003800.txt b/Keio_Univ/MSBNK-Keio_Univ-KO003800.txt index 62105362cc1..eefb1993a48 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO003800.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO003800.txt @@ -16,7 +16,7 @@ CH$LINK: CAS 2238-90-6 CH$LINK: CHEBI CHEBI:16874 CH$LINK: KEGG C01747 CH$LINK: NIKKAJI J39.570F -CH$LINK: PUBCHEM SID:4881 +CH$LINK: PUBCHEM CID:5280458 CH$LINK: INCHIKEY HHJTWTPUPVQKNA-PIIMIWFASA-N AC$INSTRUMENT: API3000, Applied Biosystems AC$INSTRUMENT_TYPE: LC-ESI-QQ diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO003801.txt b/Keio_Univ/MSBNK-Keio_Univ-KO003801.txt index 86cf4c90181..f1d1a3eb435 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO003801.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO003801.txt @@ -16,7 +16,7 @@ CH$LINK: CAS 2238-90-6 CH$LINK: CHEBI CHEBI:16874 CH$LINK: KEGG C01747 CH$LINK: NIKKAJI J39.570F -CH$LINK: PUBCHEM SID:4881 +CH$LINK: PUBCHEM CID:5280458 CH$LINK: INCHIKEY HHJTWTPUPVQKNA-PIIMIWFASA-N AC$INSTRUMENT: API3000, Applied Biosystems AC$INSTRUMENT_TYPE: LC-ESI-QQ diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO003802.txt b/Keio_Univ/MSBNK-Keio_Univ-KO003802.txt index 2973c976e0c..63f8c1dff13 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO003802.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO003802.txt @@ -16,7 +16,7 @@ CH$LINK: CAS 2238-90-6 CH$LINK: CHEBI CHEBI:16874 CH$LINK: KEGG C01747 CH$LINK: NIKKAJI J39.570F -CH$LINK: PUBCHEM SID:4881 +CH$LINK: PUBCHEM CID:5280458 CH$LINK: INCHIKEY HHJTWTPUPVQKNA-PIIMIWFASA-N AC$INSTRUMENT: API3000, Applied Biosystems AC$INSTRUMENT_TYPE: LC-ESI-QQ diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO003803.txt b/Keio_Univ/MSBNK-Keio_Univ-KO003803.txt index 4423f697f97..20748fcb0e5 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO003803.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO003803.txt @@ -13,7 +13,7 @@ CH$IUPAC: InChI=1S/C15H13N3O4S/c1-18-13(15(20)17-12-8-4-5-9-16-12)14(19)10-6-2-3 CH$LINK: CAS 36322-90-4 CH$LINK: KEGG C01608 CH$LINK: NIKKAJI J3.498C -CH$LINK: PUBCHEM SID:4761 +CH$LINK: PUBCHEM CID:54676228 CH$LINK: INCHIKEY QYSPLQLAKJAUJT-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID5021170 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO003804.txt b/Keio_Univ/MSBNK-Keio_Univ-KO003804.txt index e0e0a715d0e..197cb031d3c 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO003804.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO003804.txt @@ -13,7 +13,7 @@ CH$IUPAC: InChI=1S/C15H13N3O4S/c1-18-13(15(20)17-12-8-4-5-9-16-12)14(19)10-6-2-3 CH$LINK: CAS 36322-90-4 CH$LINK: KEGG C01608 CH$LINK: NIKKAJI J3.498C -CH$LINK: PUBCHEM SID:4761 +CH$LINK: PUBCHEM CID:54676228 CH$LINK: INCHIKEY QYSPLQLAKJAUJT-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID5021170 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO003805.txt b/Keio_Univ/MSBNK-Keio_Univ-KO003805.txt index 2c48776b247..76911a37d36 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO003805.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO003805.txt @@ -13,7 +13,7 @@ CH$IUPAC: InChI=1S/C15H13N3O4S/c1-18-13(15(20)17-12-8-4-5-9-16-12)14(19)10-6-2-3 CH$LINK: CAS 36322-90-4 CH$LINK: KEGG C01608 CH$LINK: NIKKAJI J3.498C -CH$LINK: PUBCHEM SID:4761 +CH$LINK: PUBCHEM CID:54676228 CH$LINK: INCHIKEY QYSPLQLAKJAUJT-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID5021170 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO003806.txt b/Keio_Univ/MSBNK-Keio_Univ-KO003806.txt index 688ac624440..b41fece09a5 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO003806.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO003806.txt @@ -13,7 +13,7 @@ CH$IUPAC: InChI=1S/C15H13N3O4S/c1-18-13(15(20)17-12-8-4-5-9-16-12)14(19)10-6-2-3 CH$LINK: CAS 36322-90-4 CH$LINK: KEGG C01608 CH$LINK: NIKKAJI J3.498C -CH$LINK: PUBCHEM SID:4761 +CH$LINK: PUBCHEM CID:54676228 CH$LINK: INCHIKEY QYSPLQLAKJAUJT-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID5021170 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO003807.txt b/Keio_Univ/MSBNK-Keio_Univ-KO003807.txt index 004f96756de..11c0375d5eb 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO003807.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO003807.txt @@ -13,7 +13,7 @@ CH$IUPAC: InChI=1S/C15H13N3O4S/c1-18-13(15(20)17-12-8-4-5-9-16-12)14(19)10-6-2-3 CH$LINK: CAS 36322-90-4 CH$LINK: KEGG C01608 CH$LINK: NIKKAJI J3.498C -CH$LINK: PUBCHEM SID:4761 +CH$LINK: PUBCHEM CID:54676228 CH$LINK: INCHIKEY QYSPLQLAKJAUJT-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID5021170 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO003808.txt b/Keio_Univ/MSBNK-Keio_Univ-KO003808.txt index 53dfff0ec44..3042315f884 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO003808.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO003808.txt @@ -14,7 +14,7 @@ CH$LINK: CAS 130-86-9 CH$LINK: CHEBI CHEBI:16415 CH$LINK: KEGG C05189 CH$LINK: NIKKAJI J40.085H -CH$LINK: PUBCHEM SID:7594 +CH$LINK: PUBCHEM CID:4970 CH$LINK: INCHIKEY GPTFURBXHJWNHR-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID90156282 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO003809.txt b/Keio_Univ/MSBNK-Keio_Univ-KO003809.txt index a9b44c49e17..6fe5a073b03 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO003809.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO003809.txt @@ -14,7 +14,7 @@ CH$LINK: CAS 130-86-9 CH$LINK: CHEBI CHEBI:16415 CH$LINK: KEGG C05189 CH$LINK: NIKKAJI J40.085H -CH$LINK: PUBCHEM SID:7594 +CH$LINK: PUBCHEM CID:4970 CH$LINK: INCHIKEY GPTFURBXHJWNHR-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID90156282 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO003810.txt b/Keio_Univ/MSBNK-Keio_Univ-KO003810.txt index 1a87a85e131..4b799915feb 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO003810.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO003810.txt @@ -14,7 +14,7 @@ CH$LINK: CAS 130-86-9 CH$LINK: CHEBI CHEBI:16415 CH$LINK: KEGG C05189 CH$LINK: NIKKAJI J40.085H -CH$LINK: PUBCHEM SID:7594 +CH$LINK: PUBCHEM CID:4970 CH$LINK: INCHIKEY GPTFURBXHJWNHR-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID90156282 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO003811.txt b/Keio_Univ/MSBNK-Keio_Univ-KO003811.txt index d0669612b83..067517936f0 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO003811.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO003811.txt @@ -14,7 +14,7 @@ CH$LINK: CAS 130-86-9 CH$LINK: CHEBI CHEBI:16415 CH$LINK: KEGG C05189 CH$LINK: NIKKAJI J40.085H -CH$LINK: PUBCHEM SID:7594 +CH$LINK: PUBCHEM CID:4970 CH$LINK: INCHIKEY GPTFURBXHJWNHR-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID90156282 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO003812.txt b/Keio_Univ/MSBNK-Keio_Univ-KO003812.txt index ef5cdf908a5..688c6778cdd 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO003812.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO003812.txt @@ -14,7 +14,7 @@ CH$LINK: CAS 130-86-9 CH$LINK: CHEBI CHEBI:16415 CH$LINK: KEGG C05189 CH$LINK: NIKKAJI J40.085H -CH$LINK: PUBCHEM SID:7594 +CH$LINK: PUBCHEM CID:4970 CH$LINK: INCHIKEY GPTFURBXHJWNHR-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID90156282 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO003813.txt b/Keio_Univ/MSBNK-Keio_Univ-KO003813.txt index ae2567f3c75..5acb2f9fab6 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO003813.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO003813.txt @@ -15,7 +15,7 @@ CH$LINK: CAS 3486-67-7 CH$LINK: CHEBI CHEBI:16096 CH$LINK: KEGG C05315 CH$LINK: NIKKAJI J12.970D -CH$LINK: PUBCHEM SID:7697 +CH$LINK: PUBCHEM CID:19009 CH$LINK: INCHIKEY QUCQEUCGKKTEBI-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID9048065 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO003814.txt b/Keio_Univ/MSBNK-Keio_Univ-KO003814.txt index 43c4e1ff3f0..dcb8fe2bd1a 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO003814.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO003814.txt @@ -15,7 +15,7 @@ CH$LINK: CAS 3486-67-7 CH$LINK: CHEBI CHEBI:16096 CH$LINK: KEGG C05315 CH$LINK: NIKKAJI J12.970D -CH$LINK: PUBCHEM SID:7697 +CH$LINK: PUBCHEM CID:19009 CH$LINK: INCHIKEY QUCQEUCGKKTEBI-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID9048065 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO003815.txt b/Keio_Univ/MSBNK-Keio_Univ-KO003815.txt index 67f0f97b30b..f299f1e82a0 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO003815.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO003815.txt @@ -15,7 +15,7 @@ CH$LINK: CAS 3486-67-7 CH$LINK: CHEBI CHEBI:16096 CH$LINK: KEGG C05315 CH$LINK: NIKKAJI J12.970D -CH$LINK: PUBCHEM SID:7697 +CH$LINK: PUBCHEM CID:19009 CH$LINK: INCHIKEY QUCQEUCGKKTEBI-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID9048065 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO003816.txt b/Keio_Univ/MSBNK-Keio_Univ-KO003816.txt index f42e14340ab..c5e3e436f94 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO003816.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO003816.txt @@ -15,7 +15,7 @@ CH$LINK: CAS 3486-67-7 CH$LINK: CHEBI CHEBI:16096 CH$LINK: KEGG C05315 CH$LINK: NIKKAJI J12.970D -CH$LINK: PUBCHEM SID:7697 +CH$LINK: PUBCHEM CID:19009 CH$LINK: INCHIKEY QUCQEUCGKKTEBI-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID9048065 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO003817.txt b/Keio_Univ/MSBNK-Keio_Univ-KO003817.txt index 9f151286001..4079a9b8cde 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO003817.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO003817.txt @@ -15,7 +15,7 @@ CH$LINK: CAS 3486-67-7 CH$LINK: CHEBI CHEBI:16096 CH$LINK: KEGG C05315 CH$LINK: NIKKAJI J12.970D -CH$LINK: PUBCHEM SID:7697 +CH$LINK: PUBCHEM CID:19009 CH$LINK: INCHIKEY QUCQEUCGKKTEBI-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID9048065 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO003818.txt b/Keio_Univ/MSBNK-Keio_Univ-KO003818.txt index 18ec4d1621d..6457143c782 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO003818.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO003818.txt @@ -18,7 +18,7 @@ CH$IUPAC: InChI=1S/C5H7NO3/c7-4-2-1-3(6-4)5(8)9/h3H,1-2H2,(H,6,7)(H,8,9)/t3-/m0/ CH$LINK: CAS 98-79-3 CH$LINK: KEGG C01879 CH$LINK: NIKKAJI J4.959J -CH$LINK: PUBCHEM SID:4992 +CH$LINK: PUBCHEM CID:7405 CH$LINK: INCHIKEY ODHCTXKNWHHXJC-VKHMYHEASA-N CH$LINK: COMPTOX DTXSID6046260 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO003819.txt b/Keio_Univ/MSBNK-Keio_Univ-KO003819.txt index 63ae6d6f5f6..db6d5951b57 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO003819.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO003819.txt @@ -18,7 +18,7 @@ CH$IUPAC: InChI=1S/C5H7NO3/c7-4-2-1-3(6-4)5(8)9/h3H,1-2H2,(H,6,7)(H,8,9)/t3-/m0/ CH$LINK: CAS 98-79-3 CH$LINK: KEGG C01879 CH$LINK: NIKKAJI J4.959J -CH$LINK: PUBCHEM SID:4992 +CH$LINK: PUBCHEM CID:7405 CH$LINK: INCHIKEY ODHCTXKNWHHXJC-VKHMYHEASA-N CH$LINK: COMPTOX DTXSID6046260 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO003820.txt b/Keio_Univ/MSBNK-Keio_Univ-KO003820.txt index 4098246cb60..97a9032e30d 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO003820.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO003820.txt @@ -18,7 +18,7 @@ CH$IUPAC: InChI=1S/C5H7NO3/c7-4-2-1-3(6-4)5(8)9/h3H,1-2H2,(H,6,7)(H,8,9)/t3-/m0/ CH$LINK: CAS 98-79-3 CH$LINK: KEGG C01879 CH$LINK: NIKKAJI J4.959J -CH$LINK: PUBCHEM SID:4992 +CH$LINK: PUBCHEM CID:7405 CH$LINK: INCHIKEY ODHCTXKNWHHXJC-VKHMYHEASA-N CH$LINK: COMPTOX DTXSID6046260 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO003821.txt b/Keio_Univ/MSBNK-Keio_Univ-KO003821.txt index 161c6941a65..e5e0156f574 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO003821.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO003821.txt @@ -18,7 +18,7 @@ CH$IUPAC: InChI=1S/C5H7NO3/c7-4-2-1-3(6-4)5(8)9/h3H,1-2H2,(H,6,7)(H,8,9)/t3-/m0/ CH$LINK: CAS 98-79-3 CH$LINK: KEGG C01879 CH$LINK: NIKKAJI J4.959J -CH$LINK: PUBCHEM SID:4992 +CH$LINK: PUBCHEM CID:7405 CH$LINK: INCHIKEY ODHCTXKNWHHXJC-VKHMYHEASA-N CH$LINK: COMPTOX DTXSID6046260 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO003822.txt b/Keio_Univ/MSBNK-Keio_Univ-KO003822.txt index 44a17e565b0..3796f4d242c 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO003822.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO003822.txt @@ -18,7 +18,7 @@ CH$IUPAC: InChI=1S/C5H7NO3/c7-4-2-1-3(6-4)5(8)9/h3H,1-2H2,(H,6,7)(H,8,9)/t3-/m0/ CH$LINK: CAS 98-79-3 CH$LINK: KEGG C01879 CH$LINK: NIKKAJI J4.959J -CH$LINK: PUBCHEM SID:4992 +CH$LINK: PUBCHEM CID:7405 CH$LINK: INCHIKEY ODHCTXKNWHHXJC-VKHMYHEASA-N CH$LINK: COMPTOX DTXSID6046260 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO003823.txt b/Keio_Univ/MSBNK-Keio_Univ-KO003823.txt index bd0749dcc4a..0932f3f599b 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO003823.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO003823.txt @@ -17,7 +17,7 @@ CH$LINK: CAS 107-73-3 CH$LINK: CHEBI CHEBI:18132 CH$LINK: KEGG C00588 CH$LINK: NIKKAJI J215.288F -CH$LINK: PUBCHEM SID:3867 +CH$LINK: PUBCHEM CID:1014 CH$LINK: INCHIKEY YHHSONZFOIEMCP-UHFFFAOYSA-O AC$INSTRUMENT: API3000, Applied Biosystems AC$INSTRUMENT_TYPE: LC-ESI-QQ diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO003824.txt b/Keio_Univ/MSBNK-Keio_Univ-KO003824.txt index 2a9368b7290..df331e580a1 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO003824.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO003824.txt @@ -17,7 +17,7 @@ CH$LINK: CAS 107-73-3 CH$LINK: CHEBI CHEBI:18132 CH$LINK: KEGG C00588 CH$LINK: NIKKAJI J215.288F -CH$LINK: PUBCHEM SID:3867 +CH$LINK: PUBCHEM CID:1014 CH$LINK: INCHIKEY YHHSONZFOIEMCP-UHFFFAOYSA-O AC$INSTRUMENT: API3000, Applied Biosystems AC$INSTRUMENT_TYPE: LC-ESI-QQ diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO003825.txt b/Keio_Univ/MSBNK-Keio_Univ-KO003825.txt index 0f47d254f5d..223723536ed 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO003825.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO003825.txt @@ -17,7 +17,7 @@ CH$LINK: CAS 107-73-3 CH$LINK: CHEBI CHEBI:18132 CH$LINK: KEGG C00588 CH$LINK: NIKKAJI J215.288F -CH$LINK: PUBCHEM SID:3867 +CH$LINK: PUBCHEM CID:1014 CH$LINK: INCHIKEY YHHSONZFOIEMCP-UHFFFAOYSA-O AC$INSTRUMENT: API3000, Applied Biosystems AC$INSTRUMENT_TYPE: LC-ESI-QQ diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO003826.txt b/Keio_Univ/MSBNK-Keio_Univ-KO003826.txt index 7f39406368b..396b697fb48 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO003826.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO003826.txt @@ -17,7 +17,7 @@ CH$LINK: CAS 107-73-3 CH$LINK: CHEBI CHEBI:18132 CH$LINK: KEGG C00588 CH$LINK: NIKKAJI J215.288F -CH$LINK: PUBCHEM SID:3867 +CH$LINK: PUBCHEM CID:1014 CH$LINK: INCHIKEY YHHSONZFOIEMCP-UHFFFAOYSA-O AC$INSTRUMENT: API3000, Applied Biosystems AC$INSTRUMENT_TYPE: LC-ESI-QQ diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO003827.txt b/Keio_Univ/MSBNK-Keio_Univ-KO003827.txt index e0ca899690c..d45047ad8d0 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO003827.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO003827.txt @@ -17,7 +17,7 @@ CH$LINK: CAS 107-73-3 CH$LINK: CHEBI CHEBI:18132 CH$LINK: KEGG C00588 CH$LINK: NIKKAJI J215.288F -CH$LINK: PUBCHEM SID:3867 +CH$LINK: PUBCHEM CID:1014 CH$LINK: INCHIKEY YHHSONZFOIEMCP-UHFFFAOYSA-O AC$INSTRUMENT: API3000, Applied Biosystems AC$INSTRUMENT_TYPE: LC-ESI-QQ diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO003828.txt b/Keio_Univ/MSBNK-Keio_Univ-KO003828.txt index 10975eca60e..eb08e9272b2 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO003828.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO003828.txt @@ -14,7 +14,7 @@ CH$LINK: CAS 53-79-2 CH$LINK: CHEBI CHEBI:17939 CH$LINK: KEGG C01610 CH$LINK: NIKKAJI J2.310H -CH$LINK: PUBCHEM SID:4763 +CH$LINK: PUBCHEM CID:439530 CH$LINK: INCHIKEY RXWNCPJZOCPEPQ-NVWDDTSBSA-N CH$LINK: COMPTOX DTXSID8036788 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO003829.txt b/Keio_Univ/MSBNK-Keio_Univ-KO003829.txt index f78ef08b4cd..e6a9fab7f66 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO003829.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO003829.txt @@ -14,7 +14,7 @@ CH$LINK: CAS 53-79-2 CH$LINK: CHEBI CHEBI:17939 CH$LINK: KEGG C01610 CH$LINK: NIKKAJI J2.310H -CH$LINK: PUBCHEM SID:4763 +CH$LINK: PUBCHEM CID:439530 CH$LINK: INCHIKEY RXWNCPJZOCPEPQ-NVWDDTSBSA-N CH$LINK: COMPTOX DTXSID8036788 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO003830.txt b/Keio_Univ/MSBNK-Keio_Univ-KO003830.txt index d21484d2327..03fe60376d7 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO003830.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO003830.txt @@ -14,7 +14,7 @@ CH$LINK: CAS 53-79-2 CH$LINK: CHEBI CHEBI:17939 CH$LINK: KEGG C01610 CH$LINK: NIKKAJI J2.310H -CH$LINK: PUBCHEM SID:4763 +CH$LINK: PUBCHEM CID:439530 CH$LINK: INCHIKEY RXWNCPJZOCPEPQ-NVWDDTSBSA-N CH$LINK: COMPTOX DTXSID8036788 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO003831.txt b/Keio_Univ/MSBNK-Keio_Univ-KO003831.txt index a77b43b8553..709ca226673 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO003831.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO003831.txt @@ -14,7 +14,7 @@ CH$LINK: CAS 53-79-2 CH$LINK: CHEBI CHEBI:17939 CH$LINK: KEGG C01610 CH$LINK: NIKKAJI J2.310H -CH$LINK: PUBCHEM SID:4763 +CH$LINK: PUBCHEM CID:439530 CH$LINK: INCHIKEY RXWNCPJZOCPEPQ-NVWDDTSBSA-N CH$LINK: COMPTOX DTXSID8036788 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO003832.txt b/Keio_Univ/MSBNK-Keio_Univ-KO003832.txt index 30de3dc40e8..ce578f4eca6 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO003832.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO003832.txt @@ -14,7 +14,7 @@ CH$LINK: CAS 53-79-2 CH$LINK: CHEBI CHEBI:17939 CH$LINK: KEGG C01610 CH$LINK: NIKKAJI J2.310H -CH$LINK: PUBCHEM SID:4763 +CH$LINK: PUBCHEM CID:439530 CH$LINK: INCHIKEY RXWNCPJZOCPEPQ-NVWDDTSBSA-N CH$LINK: COMPTOX DTXSID8036788 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO003833.txt b/Keio_Univ/MSBNK-Keio_Univ-KO003833.txt index f92c5a7f239..eeaaa08cf58 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO003833.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO003833.txt @@ -15,7 +15,7 @@ CH$LINK: CAS 82-82-6 CH$LINK: CHEBI CHEBI:17405 CH$LINK: KEGG C00847 CH$LINK: NIKKAJI J41.097G -CH$LINK: PUBCHEM SID:4104 +CH$LINK: PUBCHEM CID:6723 CH$LINK: INCHIKEY HXACOUQIXZGNBF-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID20861650 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO003834.txt b/Keio_Univ/MSBNK-Keio_Univ-KO003834.txt index 457a6efb5a2..4b75d8b4d44 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO003834.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO003834.txt @@ -15,7 +15,7 @@ CH$LINK: CAS 82-82-6 CH$LINK: CHEBI CHEBI:17405 CH$LINK: KEGG C00847 CH$LINK: NIKKAJI J41.097G -CH$LINK: PUBCHEM SID:4104 +CH$LINK: PUBCHEM CID:6723 CH$LINK: INCHIKEY HXACOUQIXZGNBF-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID20861650 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO003835.txt b/Keio_Univ/MSBNK-Keio_Univ-KO003835.txt index 21df531e361..ca2001b5fe0 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO003835.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO003835.txt @@ -15,7 +15,7 @@ CH$LINK: CAS 82-82-6 CH$LINK: CHEBI CHEBI:17405 CH$LINK: KEGG C00847 CH$LINK: NIKKAJI J41.097G -CH$LINK: PUBCHEM SID:4104 +CH$LINK: PUBCHEM CID:6723 CH$LINK: INCHIKEY HXACOUQIXZGNBF-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID20861650 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO003836.txt b/Keio_Univ/MSBNK-Keio_Univ-KO003836.txt index 1d42724f282..f5c27b8b7ee 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO003836.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO003836.txt @@ -15,7 +15,7 @@ CH$LINK: CAS 82-82-6 CH$LINK: CHEBI CHEBI:17405 CH$LINK: KEGG C00847 CH$LINK: NIKKAJI J41.097G -CH$LINK: PUBCHEM SID:4104 +CH$LINK: PUBCHEM CID:6723 CH$LINK: INCHIKEY HXACOUQIXZGNBF-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID20861650 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO003837.txt b/Keio_Univ/MSBNK-Keio_Univ-KO003837.txt index ec93164562b..5896e11e547 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO003837.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO003837.txt @@ -15,7 +15,7 @@ CH$LINK: CAS 82-82-6 CH$LINK: CHEBI CHEBI:17405 CH$LINK: KEGG C00847 CH$LINK: NIKKAJI J41.097G -CH$LINK: PUBCHEM SID:4104 +CH$LINK: PUBCHEM CID:6723 CH$LINK: INCHIKEY HXACOUQIXZGNBF-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID20861650 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO003838.txt b/Keio_Univ/MSBNK-Keio_Univ-KO003838.txt index e66abfbc93e..6b9dc7f8e0e 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO003838.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO003838.txt @@ -13,10 +13,10 @@ CH$FORMULA: C10H12N4O4 CH$EXACT_MASS: 252.08585 CH$SMILES: OC[C@@H](O1)[C@@H](O)[C@@H](O)[C@@H]1n(c2)c(n3)c(cnc3)n2 CH$IUPAC: InChI=1S/C10H12N4O4/c15-2-6-7(16)8(17)10(18-6)14-4-13-5-1-11-3-12-9(5)14/h1,3-4,6-8,10,15-17H,2H2/t6-,7-,8-,10-/m1/s1 -CH$LINK: CAS 550-33-4 9030-21-1 +CH$LINK: CAS 550-33-4 CH$LINK: CHEBI CHEBI:18255 CH$LINK: KEGG C01736 -CH$LINK: PUBCHEM SID:4871 +CH$LINK: PUBCHEM CID:68368 CH$LINK: INCHIKEY MRWXACSTFXYYMV-FDDDBJFASA-N AC$INSTRUMENT: API3000, Applied Biosystems AC$INSTRUMENT_TYPE: LC-ESI-QQ diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO003839.txt b/Keio_Univ/MSBNK-Keio_Univ-KO003839.txt index 2a10ef4b58f..ad84c96648b 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO003839.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO003839.txt @@ -13,10 +13,10 @@ CH$FORMULA: C10H12N4O4 CH$EXACT_MASS: 252.08585 CH$SMILES: OC[C@@H](O1)[C@@H](O)[C@@H](O)[C@@H]1n(c2)c(n3)c(cnc3)n2 CH$IUPAC: InChI=1S/C10H12N4O4/c15-2-6-7(16)8(17)10(18-6)14-4-13-5-1-11-3-12-9(5)14/h1,3-4,6-8,10,15-17H,2H2/t6-,7-,8-,10-/m1/s1 -CH$LINK: CAS 550-33-4 9030-21-1 +CH$LINK: CAS 550-33-4 CH$LINK: CHEBI CHEBI:18255 CH$LINK: KEGG C01736 -CH$LINK: PUBCHEM SID:4871 +CH$LINK: PUBCHEM CID:68368 CH$LINK: INCHIKEY MRWXACSTFXYYMV-FDDDBJFASA-N AC$INSTRUMENT: API3000, Applied Biosystems AC$INSTRUMENT_TYPE: LC-ESI-QQ diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO003840.txt b/Keio_Univ/MSBNK-Keio_Univ-KO003840.txt index 8fa6a7496d8..6cf30cc4b10 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO003840.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO003840.txt @@ -13,10 +13,10 @@ CH$FORMULA: C10H12N4O4 CH$EXACT_MASS: 252.08585 CH$SMILES: OC[C@@H](O1)[C@@H](O)[C@@H](O)[C@@H]1n(c2)c(n3)c(cnc3)n2 CH$IUPAC: InChI=1S/C10H12N4O4/c15-2-6-7(16)8(17)10(18-6)14-4-13-5-1-11-3-12-9(5)14/h1,3-4,6-8,10,15-17H,2H2/t6-,7-,8-,10-/m1/s1 -CH$LINK: CAS 550-33-4 9030-21-1 +CH$LINK: CAS 550-33-4 CH$LINK: CHEBI CHEBI:18255 CH$LINK: KEGG C01736 -CH$LINK: PUBCHEM SID:4871 +CH$LINK: PUBCHEM CID:68368 CH$LINK: INCHIKEY MRWXACSTFXYYMV-FDDDBJFASA-N AC$INSTRUMENT: API3000, Applied Biosystems AC$INSTRUMENT_TYPE: LC-ESI-QQ diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO003841.txt b/Keio_Univ/MSBNK-Keio_Univ-KO003841.txt index 12414ba31fa..d1442101ee4 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO003841.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO003841.txt @@ -13,10 +13,10 @@ CH$FORMULA: C10H12N4O4 CH$EXACT_MASS: 252.08585 CH$SMILES: OC[C@@H](O1)[C@@H](O)[C@@H](O)[C@@H]1n(c2)c(n3)c(cnc3)n2 CH$IUPAC: InChI=1S/C10H12N4O4/c15-2-6-7(16)8(17)10(18-6)14-4-13-5-1-11-3-12-9(5)14/h1,3-4,6-8,10,15-17H,2H2/t6-,7-,8-,10-/m1/s1 -CH$LINK: CAS 550-33-4 9030-21-1 +CH$LINK: CAS 550-33-4 CH$LINK: CHEBI CHEBI:18255 CH$LINK: KEGG C01736 -CH$LINK: PUBCHEM SID:4871 +CH$LINK: PUBCHEM CID:68368 CH$LINK: INCHIKEY MRWXACSTFXYYMV-FDDDBJFASA-N AC$INSTRUMENT: API3000, Applied Biosystems AC$INSTRUMENT_TYPE: LC-ESI-QQ diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO003842.txt b/Keio_Univ/MSBNK-Keio_Univ-KO003842.txt index 68771a34a05..59985936b14 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO003842.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO003842.txt @@ -13,10 +13,10 @@ CH$FORMULA: C10H12N4O4 CH$EXACT_MASS: 252.08585 CH$SMILES: OC[C@@H](O1)[C@@H](O)[C@@H](O)[C@@H]1n(c2)c(n3)c(cnc3)n2 CH$IUPAC: InChI=1S/C10H12N4O4/c15-2-6-7(16)8(17)10(18-6)14-4-13-5-1-11-3-12-9(5)14/h1,3-4,6-8,10,15-17H,2H2/t6-,7-,8-,10-/m1/s1 -CH$LINK: CAS 550-33-4 9030-21-1 +CH$LINK: CAS 550-33-4 CH$LINK: CHEBI CHEBI:18255 CH$LINK: KEGG C01736 -CH$LINK: PUBCHEM SID:4871 +CH$LINK: PUBCHEM CID:68368 CH$LINK: INCHIKEY MRWXACSTFXYYMV-FDDDBJFASA-N AC$INSTRUMENT: API3000, Applied Biosystems AC$INSTRUMENT_TYPE: LC-ESI-QQ diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO003843.txt b/Keio_Univ/MSBNK-Keio_Univ-KO003843.txt index 9a1fcb35adc..1c1964dddf1 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO003843.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO003843.txt @@ -15,7 +15,7 @@ CH$LINK: CAS 4408-78-0 CH$LINK: CHEBI CHEBI:15732 CH$LINK: KEGG C05682 CH$LINK: NIKKAJI J138.397C -CH$LINK: PUBCHEM SID:7989 +CH$LINK: PUBCHEM CID:546 CH$LINK: INCHIKEY XUYJLQHKOGNDPB-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID2045107 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO003844.txt b/Keio_Univ/MSBNK-Keio_Univ-KO003844.txt index 45256528759..86b7895e3ce 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO003844.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO003844.txt @@ -15,7 +15,7 @@ CH$LINK: CAS 4408-78-0 CH$LINK: CHEBI CHEBI:15732 CH$LINK: KEGG C05682 CH$LINK: NIKKAJI J138.397C -CH$LINK: PUBCHEM SID:7989 +CH$LINK: PUBCHEM CID:546 CH$LINK: INCHIKEY XUYJLQHKOGNDPB-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID2045107 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO003845.txt b/Keio_Univ/MSBNK-Keio_Univ-KO003845.txt index 488944ffc4e..8ae37aded6e 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO003845.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO003845.txt @@ -15,7 +15,7 @@ CH$LINK: CAS 4408-78-0 CH$LINK: CHEBI CHEBI:15732 CH$LINK: KEGG C05682 CH$LINK: NIKKAJI J138.397C -CH$LINK: PUBCHEM SID:7989 +CH$LINK: PUBCHEM CID:546 CH$LINK: INCHIKEY XUYJLQHKOGNDPB-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID2045107 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO003846.txt b/Keio_Univ/MSBNK-Keio_Univ-KO003846.txt index 970754d2fe4..23910c241b1 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO003846.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO003846.txt @@ -15,7 +15,7 @@ CH$LINK: CAS 4408-78-0 CH$LINK: CHEBI CHEBI:15732 CH$LINK: KEGG C05682 CH$LINK: NIKKAJI J138.397C -CH$LINK: PUBCHEM SID:7989 +CH$LINK: PUBCHEM CID:546 CH$LINK: INCHIKEY XUYJLQHKOGNDPB-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID2045107 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO003847.txt b/Keio_Univ/MSBNK-Keio_Univ-KO003847.txt index a86d10b9a1e..3585f948e92 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO003847.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO003847.txt @@ -15,7 +15,7 @@ CH$LINK: CAS 4408-78-0 CH$LINK: CHEBI CHEBI:15732 CH$LINK: KEGG C05682 CH$LINK: NIKKAJI J138.397C -CH$LINK: PUBCHEM SID:7989 +CH$LINK: PUBCHEM CID:546 CH$LINK: INCHIKEY XUYJLQHKOGNDPB-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID2045107 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO003848.txt b/Keio_Univ/MSBNK-Keio_Univ-KO003848.txt index 289837567e7..d8841cc588a 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO003848.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO003848.txt @@ -16,7 +16,7 @@ CH$LINK: CAS 67-07-2 CH$LINK: CHEBI CHEBI:17287 CH$LINK: KEGG C02305 CH$LINK: NIKKAJI J4.848H -CH$LINK: PUBCHEM SID:5359 +CH$LINK: PUBCHEM CID:9548602 CH$LINK: INCHIKEY DRBBFCLWYRJSJZ-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID0058776 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO003849.txt b/Keio_Univ/MSBNK-Keio_Univ-KO003849.txt index 88d45dc785d..dcd468fd15d 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO003849.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO003849.txt @@ -16,7 +16,7 @@ CH$LINK: CAS 67-07-2 CH$LINK: CHEBI CHEBI:17287 CH$LINK: KEGG C02305 CH$LINK: NIKKAJI J4.848H -CH$LINK: PUBCHEM SID:5359 +CH$LINK: PUBCHEM CID:9548602 CH$LINK: INCHIKEY DRBBFCLWYRJSJZ-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID0058776 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO003850.txt b/Keio_Univ/MSBNK-Keio_Univ-KO003850.txt index aebce5c3314..d5f8fe73aa7 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO003850.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO003850.txt @@ -16,7 +16,7 @@ CH$LINK: CAS 67-07-2 CH$LINK: CHEBI CHEBI:17287 CH$LINK: KEGG C02305 CH$LINK: NIKKAJI J4.848H -CH$LINK: PUBCHEM SID:5359 +CH$LINK: PUBCHEM CID:9548602 CH$LINK: INCHIKEY DRBBFCLWYRJSJZ-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID0058776 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO003851.txt b/Keio_Univ/MSBNK-Keio_Univ-KO003851.txt index 0c491cd9a3c..979fdc34eba 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO003851.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO003851.txt @@ -16,7 +16,7 @@ CH$LINK: CAS 67-07-2 CH$LINK: CHEBI CHEBI:17287 CH$LINK: KEGG C02305 CH$LINK: NIKKAJI J4.848H -CH$LINK: PUBCHEM SID:5359 +CH$LINK: PUBCHEM CID:9548602 CH$LINK: INCHIKEY DRBBFCLWYRJSJZ-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID0058776 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO003852.txt b/Keio_Univ/MSBNK-Keio_Univ-KO003852.txt index ee50a52d080..680357e16f8 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO003852.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO003852.txt @@ -16,7 +16,7 @@ CH$LINK: CAS 67-07-2 CH$LINK: CHEBI CHEBI:17287 CH$LINK: KEGG C02305 CH$LINK: NIKKAJI J4.848H -CH$LINK: PUBCHEM SID:5359 +CH$LINK: PUBCHEM CID:9548602 CH$LINK: INCHIKEY DRBBFCLWYRJSJZ-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID0058776 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO003853.txt b/Keio_Univ/MSBNK-Keio_Univ-KO003853.txt index 448e81ca5a4..34b84642499 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO003853.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO003853.txt @@ -17,7 +17,7 @@ CH$LINK: CAS 4042-36-8 CH$LINK: CHEBI CHEBI:16924 CH$LINK: KEGG C02237 CH$LINK: NIKKAJI J53.019K -CH$LINK: PUBCHEM SID:5301 +CH$LINK: PUBCHEM CID:439685 CH$LINK: INCHIKEY ODHCTXKNWHHXJC-GSVOUGTGSA-N CH$LINK: COMPTOX DTXSID10193432 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO003854.txt b/Keio_Univ/MSBNK-Keio_Univ-KO003854.txt index 7d402e586ab..d7c86f34b6b 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO003854.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO003854.txt @@ -17,7 +17,7 @@ CH$LINK: CAS 4042-36-8 CH$LINK: CHEBI CHEBI:16924 CH$LINK: KEGG C02237 CH$LINK: NIKKAJI J53.019K -CH$LINK: PUBCHEM SID:5301 +CH$LINK: PUBCHEM CID:439685 CH$LINK: INCHIKEY ODHCTXKNWHHXJC-GSVOUGTGSA-N CH$LINK: COMPTOX DTXSID10193432 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO003855.txt b/Keio_Univ/MSBNK-Keio_Univ-KO003855.txt index 307a3e9891c..ed574783217 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO003855.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO003855.txt @@ -17,7 +17,7 @@ CH$LINK: CAS 4042-36-8 CH$LINK: CHEBI CHEBI:16924 CH$LINK: KEGG C02237 CH$LINK: NIKKAJI J53.019K -CH$LINK: PUBCHEM SID:5301 +CH$LINK: PUBCHEM CID:439685 CH$LINK: INCHIKEY ODHCTXKNWHHXJC-GSVOUGTGSA-N CH$LINK: COMPTOX DTXSID10193432 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO003856.txt b/Keio_Univ/MSBNK-Keio_Univ-KO003856.txt index 7b6d78ceeef..1765587fcdf 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO003856.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO003856.txt @@ -17,7 +17,7 @@ CH$LINK: CAS 4042-36-8 CH$LINK: CHEBI CHEBI:16924 CH$LINK: KEGG C02237 CH$LINK: NIKKAJI J53.019K -CH$LINK: PUBCHEM SID:5301 +CH$LINK: PUBCHEM CID:439685 CH$LINK: INCHIKEY ODHCTXKNWHHXJC-GSVOUGTGSA-N CH$LINK: COMPTOX DTXSID10193432 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO003857.txt b/Keio_Univ/MSBNK-Keio_Univ-KO003857.txt index d3e716c5a66..4adfa328555 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO003857.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO003857.txt @@ -17,7 +17,7 @@ CH$LINK: CAS 4042-36-8 CH$LINK: CHEBI CHEBI:16924 CH$LINK: KEGG C02237 CH$LINK: NIKKAJI J53.019K -CH$LINK: PUBCHEM SID:5301 +CH$LINK: PUBCHEM CID:439685 CH$LINK: INCHIKEY ODHCTXKNWHHXJC-GSVOUGTGSA-N CH$LINK: COMPTOX DTXSID10193432 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO003863.txt b/Keio_Univ/MSBNK-Keio_Univ-KO003863.txt index 262b13f8532..92423f058c1 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO003863.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO003863.txt @@ -16,7 +16,7 @@ CH$LINK: CHEBI CHEBI:17241 CH$LINK: CHEMPDB PZO CH$LINK: KEGG C00481 CH$LINK: NIKKAJI J5.452F -CH$LINK: PUBCHEM SID:3764 +CH$LINK: PUBCHEM CID:1048 CH$LINK: INCHIKEY WTKZEGDFNFYCGP-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID2059774 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO003864.txt b/Keio_Univ/MSBNK-Keio_Univ-KO003864.txt index 13f7d25afbc..880eeee151d 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO003864.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO003864.txt @@ -16,7 +16,7 @@ CH$LINK: CHEBI CHEBI:17241 CH$LINK: CHEMPDB PZO CH$LINK: KEGG C00481 CH$LINK: NIKKAJI J5.452F -CH$LINK: PUBCHEM SID:3764 +CH$LINK: PUBCHEM CID:1048 CH$LINK: INCHIKEY WTKZEGDFNFYCGP-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID2059774 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO003865.txt b/Keio_Univ/MSBNK-Keio_Univ-KO003865.txt index 15e237674d6..897993e7b09 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO003865.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO003865.txt @@ -16,7 +16,7 @@ CH$LINK: CHEBI CHEBI:17241 CH$LINK: CHEMPDB PZO CH$LINK: KEGG C00481 CH$LINK: NIKKAJI J5.452F -CH$LINK: PUBCHEM SID:3764 +CH$LINK: PUBCHEM CID:1048 CH$LINK: INCHIKEY WTKZEGDFNFYCGP-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID2059774 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO003866.txt b/Keio_Univ/MSBNK-Keio_Univ-KO003866.txt index 5267f8fb6e4..2842d02d30f 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO003866.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO003866.txt @@ -16,7 +16,7 @@ CH$LINK: CHEBI CHEBI:17241 CH$LINK: CHEMPDB PZO CH$LINK: KEGG C00481 CH$LINK: NIKKAJI J5.452F -CH$LINK: PUBCHEM SID:3764 +CH$LINK: PUBCHEM CID:1048 CH$LINK: INCHIKEY WTKZEGDFNFYCGP-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID2059774 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO003867.txt b/Keio_Univ/MSBNK-Keio_Univ-KO003867.txt index d55de20da18..cbc1c62442b 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO003867.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO003867.txt @@ -16,7 +16,7 @@ CH$LINK: CHEBI CHEBI:17241 CH$LINK: CHEMPDB PZO CH$LINK: KEGG C00481 CH$LINK: NIKKAJI J5.452F -CH$LINK: PUBCHEM SID:3764 +CH$LINK: PUBCHEM CID:1048 CH$LINK: INCHIKEY WTKZEGDFNFYCGP-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID2059774 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO003868.txt b/Keio_Univ/MSBNK-Keio_Univ-KO003868.txt index 2fba2fcdde9..255ecf5187f 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO003868.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO003868.txt @@ -14,7 +14,7 @@ CH$IUPAC: InChI=1S/C5H5N3O/c6-5(9)4-3-7-1-2-8-4/h1-3H,(H2,6,9) CH$LINK: CAS 98-96-4 CH$LINK: KEGG C01956 CH$LINK: NIKKAJI J3.990J -CH$LINK: PUBCHEM SID:5057 +CH$LINK: PUBCHEM CID:1046 CH$LINK: INCHIKEY IPEHBUMCGVEMRF-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID9021215 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO003869.txt b/Keio_Univ/MSBNK-Keio_Univ-KO003869.txt index c4e84e712c9..40e29bab819 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO003869.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO003869.txt @@ -14,7 +14,7 @@ CH$IUPAC: InChI=1S/C5H5N3O/c6-5(9)4-3-7-1-2-8-4/h1-3H,(H2,6,9) CH$LINK: CAS 98-96-4 CH$LINK: KEGG C01956 CH$LINK: NIKKAJI J3.990J -CH$LINK: PUBCHEM SID:5057 +CH$LINK: PUBCHEM CID:1046 CH$LINK: INCHIKEY IPEHBUMCGVEMRF-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID9021215 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO003870.txt b/Keio_Univ/MSBNK-Keio_Univ-KO003870.txt index b29811adc9f..fb8e166467f 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO003870.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO003870.txt @@ -14,7 +14,7 @@ CH$IUPAC: InChI=1S/C5H5N3O/c6-5(9)4-3-7-1-2-8-4/h1-3H,(H2,6,9) CH$LINK: CAS 98-96-4 CH$LINK: KEGG C01956 CH$LINK: NIKKAJI J3.990J -CH$LINK: PUBCHEM SID:5057 +CH$LINK: PUBCHEM CID:1046 CH$LINK: INCHIKEY IPEHBUMCGVEMRF-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID9021215 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO003871.txt b/Keio_Univ/MSBNK-Keio_Univ-KO003871.txt index 8805148d92b..e6972379b5a 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO003871.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO003871.txt @@ -14,7 +14,7 @@ CH$IUPAC: InChI=1S/C5H5N3O/c6-5(9)4-3-7-1-2-8-4/h1-3H,(H2,6,9) CH$LINK: CAS 98-96-4 CH$LINK: KEGG C01956 CH$LINK: NIKKAJI J3.990J -CH$LINK: PUBCHEM SID:5057 +CH$LINK: PUBCHEM CID:1046 CH$LINK: INCHIKEY IPEHBUMCGVEMRF-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID9021215 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO003872.txt b/Keio_Univ/MSBNK-Keio_Univ-KO003872.txt index 5ba46f245d4..29e34eb5354 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO003872.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO003872.txt @@ -14,7 +14,7 @@ CH$IUPAC: InChI=1S/C5H5N3O/c6-5(9)4-3-7-1-2-8-4/h1-3H,(H2,6,9) CH$LINK: CAS 98-96-4 CH$LINK: KEGG C01956 CH$LINK: NIKKAJI J3.990J -CH$LINK: PUBCHEM SID:5057 +CH$LINK: PUBCHEM CID:1046 CH$LINK: INCHIKEY IPEHBUMCGVEMRF-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID9021215 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO003873.txt b/Keio_Univ/MSBNK-Keio_Univ-KO003873.txt index 1519095e5ad..a5ba329e237 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO003873.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO003873.txt @@ -14,7 +14,7 @@ CH$LINK: CAS 1452-77-3 CH$LINK: CHEBI CHEBI:8200 CH$LINK: KEGG C01950 CH$LINK: NIKKAJI J27.993E -CH$LINK: PUBCHEM SID:5053 +CH$LINK: PUBCHEM CID:15070 CH$LINK: INCHIKEY IBBMAWULFFBRKK-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID4061703 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO003874.txt b/Keio_Univ/MSBNK-Keio_Univ-KO003874.txt index d0c3ea7f43d..304deeeb035 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO003874.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO003874.txt @@ -14,7 +14,7 @@ CH$LINK: CAS 1452-77-3 CH$LINK: CHEBI CHEBI:8200 CH$LINK: KEGG C01950 CH$LINK: NIKKAJI J27.993E -CH$LINK: PUBCHEM SID:5053 +CH$LINK: PUBCHEM CID:15070 CH$LINK: INCHIKEY IBBMAWULFFBRKK-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID4061703 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO003875.txt b/Keio_Univ/MSBNK-Keio_Univ-KO003875.txt index 39470066006..3bd6d703867 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO003875.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO003875.txt @@ -14,7 +14,7 @@ CH$LINK: CAS 1452-77-3 CH$LINK: CHEBI CHEBI:8200 CH$LINK: KEGG C01950 CH$LINK: NIKKAJI J27.993E -CH$LINK: PUBCHEM SID:5053 +CH$LINK: PUBCHEM CID:15070 CH$LINK: INCHIKEY IBBMAWULFFBRKK-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID4061703 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO003876.txt b/Keio_Univ/MSBNK-Keio_Univ-KO003876.txt index 882c15ee21d..12d69d94174 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO003876.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO003876.txt @@ -14,7 +14,7 @@ CH$LINK: CAS 1452-77-3 CH$LINK: CHEBI CHEBI:8200 CH$LINK: KEGG C01950 CH$LINK: NIKKAJI J27.993E -CH$LINK: PUBCHEM SID:5053 +CH$LINK: PUBCHEM CID:15070 CH$LINK: INCHIKEY IBBMAWULFFBRKK-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID4061703 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO003877.txt b/Keio_Univ/MSBNK-Keio_Univ-KO003877.txt index 6971f7dba7c..c354c9b02aa 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO003877.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO003877.txt @@ -14,7 +14,7 @@ CH$LINK: CAS 1452-77-3 CH$LINK: CHEBI CHEBI:8200 CH$LINK: KEGG C01950 CH$LINK: NIKKAJI J27.993E -CH$LINK: PUBCHEM SID:5053 +CH$LINK: PUBCHEM CID:15070 CH$LINK: INCHIKEY IBBMAWULFFBRKK-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID4061703 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO003878.txt b/Keio_Univ/MSBNK-Keio_Univ-KO003878.txt index 034dbfdbfdd..5f90f1a8a8a 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO003878.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO003878.txt @@ -22,7 +22,7 @@ CH$LINK: CAS 1189-11-3 CH$LINK: CHEBI CHEBI:18412 CH$LINK: KEGG C05945 CH$LINK: NIKKAJI J20.415C -CH$LINK: PUBCHEM SID:8229 +CH$LINK: PUBCHEM CID:92150 CH$LINK: INCHIKEY CCTIOCVIZPCTGO-BYPYZUCNSA-N CH$LINK: COMPTOX DTXSID10922805 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO003879.txt b/Keio_Univ/MSBNK-Keio_Univ-KO003879.txt index cea921d395c..4ad25c5b40e 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO003879.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO003879.txt @@ -22,7 +22,7 @@ CH$LINK: CAS 1189-11-3 CH$LINK: CHEBI CHEBI:18412 CH$LINK: KEGG C05945 CH$LINK: NIKKAJI J20.415C -CH$LINK: PUBCHEM SID:8229 +CH$LINK: PUBCHEM CID:92150 CH$LINK: INCHIKEY CCTIOCVIZPCTGO-BYPYZUCNSA-N CH$LINK: COMPTOX DTXSID10922805 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO003880.txt b/Keio_Univ/MSBNK-Keio_Univ-KO003880.txt index d5af817e8d6..6170491cdea 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO003880.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO003880.txt @@ -22,7 +22,7 @@ CH$LINK: CAS 1189-11-3 CH$LINK: CHEBI CHEBI:18412 CH$LINK: KEGG C05945 CH$LINK: NIKKAJI J20.415C -CH$LINK: PUBCHEM SID:8229 +CH$LINK: PUBCHEM CID:92150 CH$LINK: INCHIKEY CCTIOCVIZPCTGO-BYPYZUCNSA-N CH$LINK: COMPTOX DTXSID10922805 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO003881.txt b/Keio_Univ/MSBNK-Keio_Univ-KO003881.txt index e851bd0b8ca..075e4b5c9ec 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO003881.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO003881.txt @@ -22,7 +22,7 @@ CH$LINK: CAS 1189-11-3 CH$LINK: CHEBI CHEBI:18412 CH$LINK: KEGG C05945 CH$LINK: NIKKAJI J20.415C -CH$LINK: PUBCHEM SID:8229 +CH$LINK: PUBCHEM CID:92150 CH$LINK: INCHIKEY CCTIOCVIZPCTGO-BYPYZUCNSA-N CH$LINK: COMPTOX DTXSID10922805 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO003882.txt b/Keio_Univ/MSBNK-Keio_Univ-KO003882.txt index 91403cc6dea..a7a87fe4e56 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO003882.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO003882.txt @@ -22,7 +22,7 @@ CH$LINK: CAS 1189-11-3 CH$LINK: CHEBI CHEBI:18412 CH$LINK: KEGG C05945 CH$LINK: NIKKAJI J20.415C -CH$LINK: PUBCHEM SID:8229 +CH$LINK: PUBCHEM CID:92150 CH$LINK: INCHIKEY CCTIOCVIZPCTGO-BYPYZUCNSA-N CH$LINK: COMPTOX DTXSID10922805 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO003883.txt b/Keio_Univ/MSBNK-Keio_Univ-KO003883.txt index ff6c8dfd90a..d0fcf45af0c 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO003883.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO003883.txt @@ -17,7 +17,7 @@ CH$LINK: CHEBI CHEBI:18335 CH$LINK: CHEMPDB PMP CH$LINK: KEGG C00647 CH$LINK: NIKKAJI J11.364F -CH$LINK: PUBCHEM SID:3919 +CH$LINK: PUBCHEM CID:1053 CH$LINK: INCHIKEY ZMJGSOSNSPKHNH-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID3046825 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO003884.txt b/Keio_Univ/MSBNK-Keio_Univ-KO003884.txt index 938ee0e7711..020d7aba6d2 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO003884.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO003884.txt @@ -17,7 +17,7 @@ CH$LINK: CHEBI CHEBI:18335 CH$LINK: CHEMPDB PMP CH$LINK: KEGG C00647 CH$LINK: NIKKAJI J11.364F -CH$LINK: PUBCHEM SID:3919 +CH$LINK: PUBCHEM CID:1053 CH$LINK: INCHIKEY ZMJGSOSNSPKHNH-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID3046825 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO003885.txt b/Keio_Univ/MSBNK-Keio_Univ-KO003885.txt index 4226ee73577..a0d2e190aa8 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO003885.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO003885.txt @@ -17,7 +17,7 @@ CH$LINK: CHEBI CHEBI:18335 CH$LINK: CHEMPDB PMP CH$LINK: KEGG C00647 CH$LINK: NIKKAJI J11.364F -CH$LINK: PUBCHEM SID:3919 +CH$LINK: PUBCHEM CID:1053 CH$LINK: INCHIKEY ZMJGSOSNSPKHNH-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID3046825 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO003886.txt b/Keio_Univ/MSBNK-Keio_Univ-KO003886.txt index 83f3c3fdae1..01a7c8e404f 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO003886.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO003886.txt @@ -17,7 +17,7 @@ CH$LINK: CHEBI CHEBI:18335 CH$LINK: CHEMPDB PMP CH$LINK: KEGG C00647 CH$LINK: NIKKAJI J11.364F -CH$LINK: PUBCHEM SID:3919 +CH$LINK: PUBCHEM CID:1053 CH$LINK: INCHIKEY ZMJGSOSNSPKHNH-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID3046825 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO003887.txt b/Keio_Univ/MSBNK-Keio_Univ-KO003887.txt index 5436f9681dc..e157229584c 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO003887.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO003887.txt @@ -17,7 +17,7 @@ CH$LINK: CHEBI CHEBI:18335 CH$LINK: CHEMPDB PMP CH$LINK: KEGG C00647 CH$LINK: NIKKAJI J11.364F -CH$LINK: PUBCHEM SID:3919 +CH$LINK: PUBCHEM CID:1053 CH$LINK: INCHIKEY ZMJGSOSNSPKHNH-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID3046825 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO003888.txt b/Keio_Univ/MSBNK-Keio_Univ-KO003888.txt index 5fa06b71a6f..8b07014b00e 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO003888.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO003888.txt @@ -13,7 +13,7 @@ CH$IUPAC: InChI=1S/C23H34N3O10P/c1-11(2)8-16(26-37(33,34)36-23-20(29)19(28)18(27 CH$LINK: CAS 36357-77-4 CH$LINK: KEGG C00563 CH$LINK: NIKKAJI J18.388A -CH$LINK: PUBCHEM SID:3843 +CH$LINK: PUBCHEM CID:445114 CH$LINK: INCHIKEY ZPHBZEQOLSRPAK-XLCYBJAPSA-N AC$INSTRUMENT: API3000, Applied Biosystems AC$INSTRUMENT_TYPE: LC-ESI-QQ diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO003889.txt b/Keio_Univ/MSBNK-Keio_Univ-KO003889.txt index 8f3f6736dee..df33f035073 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO003889.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO003889.txt @@ -13,7 +13,7 @@ CH$IUPAC: InChI=1S/C23H34N3O10P/c1-11(2)8-16(26-37(33,34)36-23-20(29)19(28)18(27 CH$LINK: CAS 36357-77-4 CH$LINK: KEGG C00563 CH$LINK: NIKKAJI J18.388A -CH$LINK: PUBCHEM SID:3843 +CH$LINK: PUBCHEM CID:445114 CH$LINK: INCHIKEY ZPHBZEQOLSRPAK-XLCYBJAPSA-N AC$INSTRUMENT: API3000, Applied Biosystems AC$INSTRUMENT_TYPE: LC-ESI-QQ diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO003890.txt b/Keio_Univ/MSBNK-Keio_Univ-KO003890.txt index 0cdf263e006..24803f269ae 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO003890.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO003890.txt @@ -13,7 +13,7 @@ CH$IUPAC: InChI=1S/C23H34N3O10P/c1-11(2)8-16(26-37(33,34)36-23-20(29)19(28)18(27 CH$LINK: CAS 36357-77-4 CH$LINK: KEGG C00563 CH$LINK: NIKKAJI J18.388A -CH$LINK: PUBCHEM SID:3843 +CH$LINK: PUBCHEM CID:445114 CH$LINK: INCHIKEY ZPHBZEQOLSRPAK-XLCYBJAPSA-N AC$INSTRUMENT: API3000, Applied Biosystems AC$INSTRUMENT_TYPE: LC-ESI-QQ diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO003891.txt b/Keio_Univ/MSBNK-Keio_Univ-KO003891.txt index b3ceda123a9..d1bb7fe82e5 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO003891.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO003891.txt @@ -13,7 +13,7 @@ CH$IUPAC: InChI=1S/C23H34N3O10P/c1-11(2)8-16(26-37(33,34)36-23-20(29)19(28)18(27 CH$LINK: CAS 36357-77-4 CH$LINK: KEGG C00563 CH$LINK: NIKKAJI J18.388A -CH$LINK: PUBCHEM SID:3843 +CH$LINK: PUBCHEM CID:445114 CH$LINK: INCHIKEY ZPHBZEQOLSRPAK-XLCYBJAPSA-N AC$INSTRUMENT: API3000, Applied Biosystems AC$INSTRUMENT_TYPE: LC-ESI-QQ diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO003902.txt b/Keio_Univ/MSBNK-Keio_Univ-KO003902.txt index e74331c4f08..868ee8fdcd7 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO003902.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO003902.txt @@ -13,7 +13,7 @@ CH$IUPAC: InChI=1S/C10H15N5O3/c11-10-13-8-7(9(18)14-10)12-5-15(8)2-1-6(3-16)4-17 CH$LINK: CAS 39809-25-1 CH$LINK: KEGG C07417 CH$LINK: NIKKAJI J228.035C -CH$LINK: PUBCHEM SID:9621 +CH$LINK: PUBCHEM CID:135398748 CH$LINK: INCHIKEY JNTOCHDNEULJHD-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID9046491 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO003903.txt b/Keio_Univ/MSBNK-Keio_Univ-KO003903.txt index 130872840d4..47cff9a87da 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO003903.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO003903.txt @@ -13,7 +13,7 @@ CH$IUPAC: InChI=1S/C10H15N5O3/c11-10-13-8-7(9(18)14-10)12-5-15(8)2-1-6(3-16)4-17 CH$LINK: CAS 39809-25-1 CH$LINK: KEGG C07417 CH$LINK: NIKKAJI J228.035C -CH$LINK: PUBCHEM SID:9621 +CH$LINK: PUBCHEM CID:135398748 CH$LINK: INCHIKEY JNTOCHDNEULJHD-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID9046491 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO003904.txt b/Keio_Univ/MSBNK-Keio_Univ-KO003904.txt index 1a77924f3c7..3a9b83c0477 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO003904.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO003904.txt @@ -13,7 +13,7 @@ CH$IUPAC: InChI=1S/C10H15N5O3/c11-10-13-8-7(9(18)14-10)12-5-15(8)2-1-6(3-16)4-17 CH$LINK: CAS 39809-25-1 CH$LINK: KEGG C07417 CH$LINK: NIKKAJI J228.035C -CH$LINK: PUBCHEM SID:9621 +CH$LINK: PUBCHEM CID:135398748 CH$LINK: INCHIKEY JNTOCHDNEULJHD-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID9046491 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO003905.txt b/Keio_Univ/MSBNK-Keio_Univ-KO003905.txt index ef3816d435c..fd151e70bcf 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO003905.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO003905.txt @@ -13,7 +13,7 @@ CH$IUPAC: InChI=1S/C10H15N5O3/c11-10-13-8-7(9(18)14-10)12-5-15(8)2-1-6(3-16)4-17 CH$LINK: CAS 39809-25-1 CH$LINK: KEGG C07417 CH$LINK: NIKKAJI J228.035C -CH$LINK: PUBCHEM SID:9621 +CH$LINK: PUBCHEM CID:135398748 CH$LINK: INCHIKEY JNTOCHDNEULJHD-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID9046491 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO003906.txt b/Keio_Univ/MSBNK-Keio_Univ-KO003906.txt index e8cb5be7be2..7c2f1da13c5 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO003906.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO003906.txt @@ -13,7 +13,7 @@ CH$IUPAC: InChI=1S/C10H15N5O3/c11-10-13-8-7(9(18)14-10)12-5-15(8)2-1-6(3-16)4-17 CH$LINK: CAS 39809-25-1 CH$LINK: KEGG C07417 CH$LINK: NIKKAJI J228.035C -CH$LINK: PUBCHEM SID:9621 +CH$LINK: PUBCHEM CID:135398748 CH$LINK: INCHIKEY JNTOCHDNEULJHD-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID9046491 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO003907.txt b/Keio_Univ/MSBNK-Keio_Univ-KO003907.txt index 86cd76ab357..419745dee43 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO003907.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO003907.txt @@ -13,7 +13,7 @@ CH$IUPAC: InChI=1S/C11H18N4O2/c1-7-8(2)12-10(14(3)4)13-9(7)17-11(16)15(5)6/h1-6H CH$LINK: CAS 23103-98-2 CH$LINK: KEGG C11079 CH$LINK: NIKKAJI J1.871F -CH$LINK: PUBCHEM SID:13261 +CH$LINK: PUBCHEM CID:31645 CH$LINK: INCHIKEY YFGYUFNIOHWBOB-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID1032569 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO003908.txt b/Keio_Univ/MSBNK-Keio_Univ-KO003908.txt index d7a03e3f9b4..3ee1789f5d6 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO003908.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO003908.txt @@ -13,7 +13,7 @@ CH$IUPAC: InChI=1S/C11H18N4O2/c1-7-8(2)12-10(14(3)4)13-9(7)17-11(16)15(5)6/h1-6H CH$LINK: CAS 23103-98-2 CH$LINK: KEGG C11079 CH$LINK: NIKKAJI J1.871F -CH$LINK: PUBCHEM SID:13261 +CH$LINK: PUBCHEM CID:31645 CH$LINK: INCHIKEY YFGYUFNIOHWBOB-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID1032569 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO003909.txt b/Keio_Univ/MSBNK-Keio_Univ-KO003909.txt index 69825a46431..f76c0bad6e9 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO003909.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO003909.txt @@ -13,7 +13,7 @@ CH$IUPAC: InChI=1S/C11H18N4O2/c1-7-8(2)12-10(14(3)4)13-9(7)17-11(16)15(5)6/h1-6H CH$LINK: CAS 23103-98-2 CH$LINK: KEGG C11079 CH$LINK: NIKKAJI J1.871F -CH$LINK: PUBCHEM SID:13261 +CH$LINK: PUBCHEM CID:31645 CH$LINK: INCHIKEY YFGYUFNIOHWBOB-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID1032569 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO003910.txt b/Keio_Univ/MSBNK-Keio_Univ-KO003910.txt index 81e72c5898b..6f49c011bcc 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO003910.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO003910.txt @@ -13,7 +13,7 @@ CH$IUPAC: InChI=1S/C11H18N4O2/c1-7-8(2)12-10(14(3)4)13-9(7)17-11(16)15(5)6/h1-6H CH$LINK: CAS 23103-98-2 CH$LINK: KEGG C11079 CH$LINK: NIKKAJI J1.871F -CH$LINK: PUBCHEM SID:13261 +CH$LINK: PUBCHEM CID:31645 CH$LINK: INCHIKEY YFGYUFNIOHWBOB-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID1032569 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO003911.txt b/Keio_Univ/MSBNK-Keio_Univ-KO003911.txt index 31587bd9a79..a6065df96b6 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO003911.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO003911.txt @@ -13,7 +13,7 @@ CH$IUPAC: InChI=1S/C11H18N4O2/c1-7-8(2)12-10(14(3)4)13-9(7)17-11(16)15(5)6/h1-6H CH$LINK: CAS 23103-98-2 CH$LINK: KEGG C11079 CH$LINK: NIKKAJI J1.871F -CH$LINK: PUBCHEM SID:13261 +CH$LINK: PUBCHEM CID:31645 CH$LINK: INCHIKEY YFGYUFNIOHWBOB-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID1032569 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO003912.txt b/Keio_Univ/MSBNK-Keio_Univ-KO003912.txt index d809fe8557b..6bbbd6a1d9f 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO003912.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO003912.txt @@ -14,7 +14,7 @@ CH$IUPAC: InChI=1S/C13H19N3O4/c1-5-10(6-2)14-12-11(15(17)18)7-8(3)9(4)13(12)16(1 CH$LINK: CAS 40487-42-1 CH$LINK: KEGG C11019 CH$LINK: NIKKAJI J1.892I -CH$LINK: PUBCHEM SID:13202 +CH$LINK: PUBCHEM CID:38479 CH$LINK: INCHIKEY CHIFOSRWCNZCFN-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID7024245 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO003913.txt b/Keio_Univ/MSBNK-Keio_Univ-KO003913.txt index 72e0358befb..8c6283374b3 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO003913.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO003913.txt @@ -14,7 +14,7 @@ CH$IUPAC: InChI=1S/C13H19N3O4/c1-5-10(6-2)14-12-11(15(17)18)7-8(3)9(4)13(12)16(1 CH$LINK: CAS 40487-42-1 CH$LINK: KEGG C11019 CH$LINK: NIKKAJI J1.892I -CH$LINK: PUBCHEM SID:13202 +CH$LINK: PUBCHEM CID:38479 CH$LINK: INCHIKEY CHIFOSRWCNZCFN-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID7024245 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO003914.txt b/Keio_Univ/MSBNK-Keio_Univ-KO003914.txt index 6607addea1a..df77acca7ec 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO003914.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO003914.txt @@ -14,7 +14,7 @@ CH$IUPAC: InChI=1S/C13H19N3O4/c1-5-10(6-2)14-12-11(15(17)18)7-8(3)9(4)13(12)16(1 CH$LINK: CAS 40487-42-1 CH$LINK: KEGG C11019 CH$LINK: NIKKAJI J1.892I -CH$LINK: PUBCHEM SID:13202 +CH$LINK: PUBCHEM CID:38479 CH$LINK: INCHIKEY CHIFOSRWCNZCFN-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID7024245 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO003915.txt b/Keio_Univ/MSBNK-Keio_Univ-KO003915.txt index 2cf45d958a0..804e1ae2346 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO003915.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO003915.txt @@ -14,7 +14,7 @@ CH$IUPAC: InChI=1S/C13H19N3O4/c1-5-10(6-2)14-12-11(15(17)18)7-8(3)9(4)13(12)16(1 CH$LINK: CAS 40487-42-1 CH$LINK: KEGG C11019 CH$LINK: NIKKAJI J1.892I -CH$LINK: PUBCHEM SID:13202 +CH$LINK: PUBCHEM CID:38479 CH$LINK: INCHIKEY CHIFOSRWCNZCFN-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID7024245 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO003916.txt b/Keio_Univ/MSBNK-Keio_Univ-KO003916.txt index 52691bb2e02..9d7d9f1532d 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO003916.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO003916.txt @@ -14,7 +14,7 @@ CH$IUPAC: InChI=1S/C13H19N3O4/c1-5-10(6-2)14-12-11(15(17)18)7-8(3)9(4)13(12)16(1 CH$LINK: CAS 40487-42-1 CH$LINK: KEGG C11019 CH$LINK: NIKKAJI J1.892I -CH$LINK: PUBCHEM SID:13202 +CH$LINK: PUBCHEM CID:38479 CH$LINK: INCHIKEY CHIFOSRWCNZCFN-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID7024245 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO003917.txt b/Keio_Univ/MSBNK-Keio_Univ-KO003917.txt index 9369d2d666e..c12c84ac0f2 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO003917.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO003917.txt @@ -13,7 +13,7 @@ CH$IUPAC: InChI=1S/C13H20N2O2/c1-3-15(4-2)9-10-17-13(16)11-5-7-12(14)8-6-11/h5-8 CH$LINK: CAS 59-46-1 CH$LINK: KEGG C07375 CH$LINK: NIKKAJI J4.603E -CH$LINK: PUBCHEM SID:9579 +CH$LINK: PUBCHEM CID:4914 CH$LINK: INCHIKEY MFDFERRIHVXMIY-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID7045021 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO003918.txt b/Keio_Univ/MSBNK-Keio_Univ-KO003918.txt index 0c0f0c1d5aa..0ec586fa6ac 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO003918.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO003918.txt @@ -13,7 +13,7 @@ CH$IUPAC: InChI=1S/C13H20N2O2/c1-3-15(4-2)9-10-17-13(16)11-5-7-12(14)8-6-11/h5-8 CH$LINK: CAS 59-46-1 CH$LINK: KEGG C07375 CH$LINK: NIKKAJI J4.603E -CH$LINK: PUBCHEM SID:9579 +CH$LINK: PUBCHEM CID:4914 CH$LINK: INCHIKEY MFDFERRIHVXMIY-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID7045021 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO003919.txt b/Keio_Univ/MSBNK-Keio_Univ-KO003919.txt index 0cd3b9b9b5a..ad9c5ebe7ff 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO003919.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO003919.txt @@ -13,7 +13,7 @@ CH$IUPAC: InChI=1S/C13H20N2O2/c1-3-15(4-2)9-10-17-13(16)11-5-7-12(14)8-6-11/h5-8 CH$LINK: CAS 59-46-1 CH$LINK: KEGG C07375 CH$LINK: NIKKAJI J4.603E -CH$LINK: PUBCHEM SID:9579 +CH$LINK: PUBCHEM CID:4914 CH$LINK: INCHIKEY MFDFERRIHVXMIY-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID7045021 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO003920.txt b/Keio_Univ/MSBNK-Keio_Univ-KO003920.txt index 2817d00a2ba..464b3e967d9 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO003920.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO003920.txt @@ -13,7 +13,7 @@ CH$IUPAC: InChI=1S/C13H20N2O2/c1-3-15(4-2)9-10-17-13(16)11-5-7-12(14)8-6-11/h5-8 CH$LINK: CAS 59-46-1 CH$LINK: KEGG C07375 CH$LINK: NIKKAJI J4.603E -CH$LINK: PUBCHEM SID:9579 +CH$LINK: PUBCHEM CID:4914 CH$LINK: INCHIKEY MFDFERRIHVXMIY-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID7045021 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO003921.txt b/Keio_Univ/MSBNK-Keio_Univ-KO003921.txt index a9bcfc91229..97b67abf93b 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO003921.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO003921.txt @@ -13,7 +13,7 @@ CH$IUPAC: InChI=1S/C13H20N2O2/c1-3-15(4-2)9-10-17-13(16)11-5-7-12(14)8-6-11/h5-8 CH$LINK: CAS 59-46-1 CH$LINK: KEGG C07375 CH$LINK: NIKKAJI J4.603E -CH$LINK: PUBCHEM SID:9579 +CH$LINK: PUBCHEM CID:4914 CH$LINK: INCHIKEY MFDFERRIHVXMIY-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID7045021 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO003922.txt b/Keio_Univ/MSBNK-Keio_Univ-KO003922.txt index 9b601525fef..b34751d02cb 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO003922.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO003922.txt @@ -13,7 +13,7 @@ CH$IUPAC: InChI=1S/C19H21N5O4/c1-26-15-10-12-13(11-16(15)27-2)21-19(22-17(12)20) CH$LINK: CAS 19216-56-9 CH$LINK: KEGG C07368 CH$LINK: NIKKAJI J10.000E -CH$LINK: PUBCHEM SID:9572 +CH$LINK: PUBCHEM CID:4893 CH$LINK: INCHIKEY IENZQIKPVFGBNW-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID4049082 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO003923.txt b/Keio_Univ/MSBNK-Keio_Univ-KO003923.txt index 2743c2edef5..fcad57b9c0e 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO003923.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO003923.txt @@ -13,7 +13,7 @@ CH$IUPAC: InChI=1S/C19H21N5O4/c1-26-15-10-12-13(11-16(15)27-2)21-19(22-17(12)20) CH$LINK: CAS 19216-56-9 CH$LINK: KEGG C07368 CH$LINK: NIKKAJI J10.000E -CH$LINK: PUBCHEM SID:9572 +CH$LINK: PUBCHEM CID:4893 CH$LINK: INCHIKEY IENZQIKPVFGBNW-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID4049082 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO003924.txt b/Keio_Univ/MSBNK-Keio_Univ-KO003924.txt index c075d32d89e..cd51c0aa4f5 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO003924.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO003924.txt @@ -13,7 +13,7 @@ CH$IUPAC: InChI=1S/C19H21N5O4/c1-26-15-10-12-13(11-16(15)27-2)21-19(22-17(12)20) CH$LINK: CAS 19216-56-9 CH$LINK: KEGG C07368 CH$LINK: NIKKAJI J10.000E -CH$LINK: PUBCHEM SID:9572 +CH$LINK: PUBCHEM CID:4893 CH$LINK: INCHIKEY IENZQIKPVFGBNW-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID4049082 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO003925.txt b/Keio_Univ/MSBNK-Keio_Univ-KO003925.txt index 519a686ec14..77004cdecce 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO003925.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO003925.txt @@ -13,7 +13,7 @@ CH$IUPAC: InChI=1S/C19H21N5O4/c1-26-15-10-12-13(11-16(15)27-2)21-19(22-17(12)20) CH$LINK: CAS 19216-56-9 CH$LINK: KEGG C07368 CH$LINK: NIKKAJI J10.000E -CH$LINK: PUBCHEM SID:9572 +CH$LINK: PUBCHEM CID:4893 CH$LINK: INCHIKEY IENZQIKPVFGBNW-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID4049082 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO003926.txt b/Keio_Univ/MSBNK-Keio_Univ-KO003926.txt index 80a8006e086..aebaf38ed67 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO003926.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO003926.txt @@ -13,7 +13,7 @@ CH$IUPAC: InChI=1S/C19H21N5O4/c1-26-15-10-12-13(11-16(15)27-2)21-19(22-17(12)20) CH$LINK: CAS 19216-56-9 CH$LINK: KEGG C07368 CH$LINK: NIKKAJI J10.000E -CH$LINK: PUBCHEM SID:9572 +CH$LINK: PUBCHEM CID:4893 CH$LINK: INCHIKEY IENZQIKPVFGBNW-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID4049082 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO003927.txt b/Keio_Univ/MSBNK-Keio_Univ-KO003927.txt index 4e429826fb6..61253ba8e3f 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO003927.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO003927.txt @@ -13,7 +13,7 @@ CH$IUPAC: InChI=1S/C16H21NO2/c1-12(2)17-10-14(18)11-19-16-9-5-7-13-6-3-4-8-15(13 CH$LINK: CAS 525-66-6 CH$LINK: KEGG C07407 CH$LINK: NIKKAJI J6.653B -CH$LINK: PUBCHEM SID:9611 +CH$LINK: PUBCHEM CID:4946 CH$LINK: INCHIKEY AQHHHDLHHXJYJD-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID6023525 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO003928.txt b/Keio_Univ/MSBNK-Keio_Univ-KO003928.txt index 8c47d9f3d9f..2ea1a70c876 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO003928.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO003928.txt @@ -13,7 +13,7 @@ CH$IUPAC: InChI=1S/C16H21NO2/c1-12(2)17-10-14(18)11-19-16-9-5-7-13-6-3-4-8-15(13 CH$LINK: CAS 525-66-6 CH$LINK: KEGG C07407 CH$LINK: NIKKAJI J6.653B -CH$LINK: PUBCHEM SID:9611 +CH$LINK: PUBCHEM CID:4946 CH$LINK: INCHIKEY AQHHHDLHHXJYJD-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID6023525 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO003929.txt b/Keio_Univ/MSBNK-Keio_Univ-KO003929.txt index da9b6a70127..75473360c9d 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO003929.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO003929.txt @@ -13,7 +13,7 @@ CH$IUPAC: InChI=1S/C16H21NO2/c1-12(2)17-10-14(18)11-19-16-9-5-7-13-6-3-4-8-15(13 CH$LINK: CAS 525-66-6 CH$LINK: KEGG C07407 CH$LINK: NIKKAJI J6.653B -CH$LINK: PUBCHEM SID:9611 +CH$LINK: PUBCHEM CID:4946 CH$LINK: INCHIKEY AQHHHDLHHXJYJD-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID6023525 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO003930.txt b/Keio_Univ/MSBNK-Keio_Univ-KO003930.txt index 514e8baa7bf..317c3338c16 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO003930.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO003930.txt @@ -13,7 +13,7 @@ CH$IUPAC: InChI=1S/C16H21NO2/c1-12(2)17-10-14(18)11-19-16-9-5-7-13-6-3-4-8-15(13 CH$LINK: CAS 525-66-6 CH$LINK: KEGG C07407 CH$LINK: NIKKAJI J6.653B -CH$LINK: PUBCHEM SID:9611 +CH$LINK: PUBCHEM CID:4946 CH$LINK: INCHIKEY AQHHHDLHHXJYJD-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID6023525 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO003931.txt b/Keio_Univ/MSBNK-Keio_Univ-KO003931.txt index 1a4dc6b400b..e414dbf80b0 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO003931.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO003931.txt @@ -13,7 +13,7 @@ CH$IUPAC: InChI=1S/C16H21NO2/c1-12(2)17-10-14(18)11-19-16-9-5-7-13-6-3-4-8-15(13 CH$LINK: CAS 525-66-6 CH$LINK: KEGG C07407 CH$LINK: NIKKAJI J6.653B -CH$LINK: PUBCHEM SID:9611 +CH$LINK: PUBCHEM CID:4946 CH$LINK: INCHIKEY AQHHHDLHHXJYJD-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID6023525 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO003942.txt b/Keio_Univ/MSBNK-Keio_Univ-KO003942.txt index ed9bf784cb2..a4ed66184c7 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO003942.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO003942.txt @@ -15,7 +15,7 @@ CH$LINK: CAS 59-31-4 CH$LINK: CHEBI CHEBI:18289 CH$LINK: KEGG C06415 CH$LINK: NIKKAJI J4.598E -CH$LINK: PUBCHEM SID:8650 +CH$LINK: PUBCHEM CID:6038 CH$LINK: INCHIKEY LISFMEBWQUVKPJ-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID1058769 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO003943.txt b/Keio_Univ/MSBNK-Keio_Univ-KO003943.txt index fb37b926a70..9fa8bccb1f0 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO003943.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO003943.txt @@ -15,7 +15,7 @@ CH$LINK: CAS 59-31-4 CH$LINK: CHEBI CHEBI:18289 CH$LINK: KEGG C06415 CH$LINK: NIKKAJI J4.598E -CH$LINK: PUBCHEM SID:8650 +CH$LINK: PUBCHEM CID:6038 CH$LINK: INCHIKEY LISFMEBWQUVKPJ-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID1058769 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO003944.txt b/Keio_Univ/MSBNK-Keio_Univ-KO003944.txt index 17d2d814997..5a2652a7fe8 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO003944.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO003944.txt @@ -15,7 +15,7 @@ CH$LINK: CAS 59-31-4 CH$LINK: CHEBI CHEBI:18289 CH$LINK: KEGG C06415 CH$LINK: NIKKAJI J4.598E -CH$LINK: PUBCHEM SID:8650 +CH$LINK: PUBCHEM CID:6038 CH$LINK: INCHIKEY LISFMEBWQUVKPJ-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID1058769 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO003945.txt b/Keio_Univ/MSBNK-Keio_Univ-KO003945.txt index b1f7ff78b52..799f32f0e3b 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO003945.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO003945.txt @@ -15,7 +15,7 @@ CH$LINK: CAS 59-31-4 CH$LINK: CHEBI CHEBI:18289 CH$LINK: KEGG C06415 CH$LINK: NIKKAJI J4.598E -CH$LINK: PUBCHEM SID:8650 +CH$LINK: PUBCHEM CID:6038 CH$LINK: INCHIKEY LISFMEBWQUVKPJ-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID1058769 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO003946.txt b/Keio_Univ/MSBNK-Keio_Univ-KO003946.txt index 5bd25504f96..0c1a39bc19f 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO003946.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO003946.txt @@ -15,7 +15,7 @@ CH$LINK: CAS 59-31-4 CH$LINK: CHEBI CHEBI:18289 CH$LINK: KEGG C06415 CH$LINK: NIKKAJI J4.598E -CH$LINK: PUBCHEM SID:8650 +CH$LINK: PUBCHEM CID:6038 CH$LINK: INCHIKEY LISFMEBWQUVKPJ-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID1058769 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO003947.txt b/Keio_Univ/MSBNK-Keio_Univ-KO003947.txt index 4cd3d1aadac..8e32eb2ad86 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO003947.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO003947.txt @@ -14,7 +14,7 @@ CH$IUPAC: InChI=1S/C5H7N3O5/c6-2(3(9)10)1-8-4(11)7-5(12)13-8/h2H,1,6H2,(H,9,10)( CH$LINK: CAS 52809-07-1 CH$LINK: KEGG C08296 CH$LINK: NIKKAJI J9.726H -CH$LINK: PUBCHEM SID:10494 +CH$LINK: PUBCHEM CID:40539 CH$LINK: INCHIKEY ASNFTDCKZKHJSW-REOHCLBHSA-N CH$LINK: COMPTOX DTXSID20896927 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO003948.txt b/Keio_Univ/MSBNK-Keio_Univ-KO003948.txt index 3683634d112..bdf7c29f161 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO003948.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO003948.txt @@ -14,7 +14,7 @@ CH$IUPAC: InChI=1S/C5H7N3O5/c6-2(3(9)10)1-8-4(11)7-5(12)13-8/h2H,1,6H2,(H,9,10)( CH$LINK: CAS 52809-07-1 CH$LINK: KEGG C08296 CH$LINK: NIKKAJI J9.726H -CH$LINK: PUBCHEM SID:10494 +CH$LINK: PUBCHEM CID:40539 CH$LINK: INCHIKEY ASNFTDCKZKHJSW-REOHCLBHSA-N CH$LINK: COMPTOX DTXSID20896927 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO003949.txt b/Keio_Univ/MSBNK-Keio_Univ-KO003949.txt index f5faa2f485d..f13738721e1 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO003949.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO003949.txt @@ -14,7 +14,7 @@ CH$IUPAC: InChI=1S/C5H7N3O5/c6-2(3(9)10)1-8-4(11)7-5(12)13-8/h2H,1,6H2,(H,9,10)( CH$LINK: CAS 52809-07-1 CH$LINK: KEGG C08296 CH$LINK: NIKKAJI J9.726H -CH$LINK: PUBCHEM SID:10494 +CH$LINK: PUBCHEM CID:40539 CH$LINK: INCHIKEY ASNFTDCKZKHJSW-REOHCLBHSA-N CH$LINK: COMPTOX DTXSID20896927 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO003950.txt b/Keio_Univ/MSBNK-Keio_Univ-KO003950.txt index 1338adf9756..8b935451ef1 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO003950.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO003950.txt @@ -14,7 +14,7 @@ CH$IUPAC: InChI=1S/C5H7N3O5/c6-2(3(9)10)1-8-4(11)7-5(12)13-8/h2H,1,6H2,(H,9,10)( CH$LINK: CAS 52809-07-1 CH$LINK: KEGG C08296 CH$LINK: NIKKAJI J9.726H -CH$LINK: PUBCHEM SID:10494 +CH$LINK: PUBCHEM CID:40539 CH$LINK: INCHIKEY ASNFTDCKZKHJSW-REOHCLBHSA-N CH$LINK: COMPTOX DTXSID20896927 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO003951.txt b/Keio_Univ/MSBNK-Keio_Univ-KO003951.txt index 27764c4479b..231c1cde541 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO003951.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO003951.txt @@ -14,7 +14,7 @@ CH$IUPAC: InChI=1S/C5H7N3O5/c6-2(3(9)10)1-8-4(11)7-5(12)13-8/h2H,1,6H2,(H,9,10)( CH$LINK: CAS 52809-07-1 CH$LINK: KEGG C08296 CH$LINK: NIKKAJI J9.726H -CH$LINK: PUBCHEM SID:10494 +CH$LINK: PUBCHEM CID:40539 CH$LINK: INCHIKEY ASNFTDCKZKHJSW-REOHCLBHSA-N CH$LINK: COMPTOX DTXSID20896927 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO003952.txt b/Keio_Univ/MSBNK-Keio_Univ-KO003952.txt index c7e76eaf336..de5095a3990 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO003952.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO003952.txt @@ -14,7 +14,7 @@ CH$LINK: CAS 91-22-5 CH$LINK: CHEBI CHEBI:17362 CH$LINK: KEGG C06413 CH$LINK: NIKKAJI J3.922E -CH$LINK: PUBCHEM SID:8648 +CH$LINK: PUBCHEM CID:7047 CH$LINK: INCHIKEY SMWDFEZZVXVKRB-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID1021798 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO003953.txt b/Keio_Univ/MSBNK-Keio_Univ-KO003953.txt index 4bea49e7cc0..2b82527142c 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO003953.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO003953.txt @@ -14,7 +14,7 @@ CH$LINK: CAS 91-22-5 CH$LINK: CHEBI CHEBI:17362 CH$LINK: KEGG C06413 CH$LINK: NIKKAJI J3.922E -CH$LINK: PUBCHEM SID:8648 +CH$LINK: PUBCHEM CID:7047 CH$LINK: INCHIKEY SMWDFEZZVXVKRB-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID1021798 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO003954.txt b/Keio_Univ/MSBNK-Keio_Univ-KO003954.txt index 0c3d85ca5f0..1d08118fb92 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO003954.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO003954.txt @@ -14,7 +14,7 @@ CH$LINK: CAS 91-22-5 CH$LINK: CHEBI CHEBI:17362 CH$LINK: KEGG C06413 CH$LINK: NIKKAJI J3.922E -CH$LINK: PUBCHEM SID:8648 +CH$LINK: PUBCHEM CID:7047 CH$LINK: INCHIKEY SMWDFEZZVXVKRB-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID1021798 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO003955.txt b/Keio_Univ/MSBNK-Keio_Univ-KO003955.txt index 8a94104ca10..fd93897eb06 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO003955.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO003955.txt @@ -14,7 +14,7 @@ CH$LINK: CAS 91-22-5 CH$LINK: CHEBI CHEBI:17362 CH$LINK: KEGG C06413 CH$LINK: NIKKAJI J3.922E -CH$LINK: PUBCHEM SID:8648 +CH$LINK: PUBCHEM CID:7047 CH$LINK: INCHIKEY SMWDFEZZVXVKRB-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID1021798 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO003956.txt b/Keio_Univ/MSBNK-Keio_Univ-KO003956.txt index 93ef9635375..a8993bc5b0c 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO003956.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO003956.txt @@ -14,7 +14,7 @@ CH$LINK: CAS 91-22-5 CH$LINK: CHEBI CHEBI:17362 CH$LINK: KEGG C06413 CH$LINK: NIKKAJI J3.922E -CH$LINK: PUBCHEM SID:8648 +CH$LINK: PUBCHEM CID:7047 CH$LINK: INCHIKEY SMWDFEZZVXVKRB-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID1021798 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO003967.txt b/Keio_Univ/MSBNK-Keio_Univ-KO003967.txt index 1e5b40d8003..e8fe1057dc4 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO003967.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO003967.txt @@ -18,7 +18,7 @@ CH$LINK: CHEBI CHEBI:17115 CH$LINK: CHEMPDB SER CH$LINK: KEGG C00065 CH$LINK: NIKKAJI J1.195I -CH$LINK: PUBCHEM SID:3365 +CH$LINK: PUBCHEM CID:5951 CH$LINK: INCHIKEY MTCFGRXMJLQNBG-REOHCLBHSA-N CH$LINK: COMPTOX DTXSID60883230 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO003968.txt b/Keio_Univ/MSBNK-Keio_Univ-KO003968.txt index cc9eef162a9..daaa1378c32 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO003968.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO003968.txt @@ -18,7 +18,7 @@ CH$LINK: CHEBI CHEBI:17115 CH$LINK: CHEMPDB SER CH$LINK: KEGG C00065 CH$LINK: NIKKAJI J1.195I -CH$LINK: PUBCHEM SID:3365 +CH$LINK: PUBCHEM CID:5951 CH$LINK: INCHIKEY MTCFGRXMJLQNBG-REOHCLBHSA-N CH$LINK: COMPTOX DTXSID60883230 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO003969.txt b/Keio_Univ/MSBNK-Keio_Univ-KO003969.txt index 2c23282362f..c6324cbc4d1 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO003969.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO003969.txt @@ -18,7 +18,7 @@ CH$LINK: CHEBI CHEBI:17115 CH$LINK: CHEMPDB SER CH$LINK: KEGG C00065 CH$LINK: NIKKAJI J1.195I -CH$LINK: PUBCHEM SID:3365 +CH$LINK: PUBCHEM CID:5951 CH$LINK: INCHIKEY MTCFGRXMJLQNBG-REOHCLBHSA-N CH$LINK: COMPTOX DTXSID60883230 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO003970.txt b/Keio_Univ/MSBNK-Keio_Univ-KO003970.txt index 3160439ee63..4689d1add21 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO003970.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO003970.txt @@ -18,7 +18,7 @@ CH$LINK: CHEBI CHEBI:17115 CH$LINK: CHEMPDB SER CH$LINK: KEGG C00065 CH$LINK: NIKKAJI J1.195I -CH$LINK: PUBCHEM SID:3365 +CH$LINK: PUBCHEM CID:5951 CH$LINK: INCHIKEY MTCFGRXMJLQNBG-REOHCLBHSA-N CH$LINK: COMPTOX DTXSID60883230 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO003971.txt b/Keio_Univ/MSBNK-Keio_Univ-KO003971.txt index 4a26ccf3e71..8df08d54be5 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO003971.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO003971.txt @@ -18,7 +18,7 @@ CH$LINK: CHEBI CHEBI:17115 CH$LINK: CHEMPDB SER CH$LINK: KEGG C00065 CH$LINK: NIKKAJI J1.195I -CH$LINK: PUBCHEM SID:3365 +CH$LINK: PUBCHEM CID:5951 CH$LINK: INCHIKEY MTCFGRXMJLQNBG-REOHCLBHSA-N CH$LINK: COMPTOX DTXSID60883230 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO003972.txt b/Keio_Univ/MSBNK-Keio_Univ-KO003972.txt index a2fa49fcaa8..55730b14699 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO003972.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO003972.txt @@ -16,7 +16,7 @@ CH$LINK: CHEBI CHEBI:16610 CH$LINK: CHEMPDB SPD CH$LINK: KEGG C00315 CH$LINK: NIKKAJI J10.054D -CH$LINK: PUBCHEM SID:3609 +CH$LINK: PUBCHEM CID:1102 CH$LINK: INCHIKEY ATHGHQPFGPMSJY-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID4036645 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO003973.txt b/Keio_Univ/MSBNK-Keio_Univ-KO003973.txt index 627f3f7cb4d..36ef18af0be 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO003973.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO003973.txt @@ -16,7 +16,7 @@ CH$LINK: CHEBI CHEBI:16610 CH$LINK: CHEMPDB SPD CH$LINK: KEGG C00315 CH$LINK: NIKKAJI J10.054D -CH$LINK: PUBCHEM SID:3609 +CH$LINK: PUBCHEM CID:1102 CH$LINK: INCHIKEY ATHGHQPFGPMSJY-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID4036645 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO003974.txt b/Keio_Univ/MSBNK-Keio_Univ-KO003974.txt index 9682dc5c3d0..38ca6a4872a 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO003974.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO003974.txt @@ -16,7 +16,7 @@ CH$LINK: CHEBI CHEBI:16610 CH$LINK: CHEMPDB SPD CH$LINK: KEGG C00315 CH$LINK: NIKKAJI J10.054D -CH$LINK: PUBCHEM SID:3609 +CH$LINK: PUBCHEM CID:1102 CH$LINK: INCHIKEY ATHGHQPFGPMSJY-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID4036645 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO003975.txt b/Keio_Univ/MSBNK-Keio_Univ-KO003975.txt index 280ed726b8d..24d5c0ff9d7 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO003975.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO003975.txt @@ -16,7 +16,7 @@ CH$LINK: CHEBI CHEBI:16610 CH$LINK: CHEMPDB SPD CH$LINK: KEGG C00315 CH$LINK: NIKKAJI J10.054D -CH$LINK: PUBCHEM SID:3609 +CH$LINK: PUBCHEM CID:1102 CH$LINK: INCHIKEY ATHGHQPFGPMSJY-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID4036645 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO003976.txt b/Keio_Univ/MSBNK-Keio_Univ-KO003976.txt index 7c307123920..2eea797e2bf 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO003976.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO003976.txt @@ -16,7 +16,7 @@ CH$LINK: CHEBI CHEBI:16610 CH$LINK: CHEMPDB SPD CH$LINK: KEGG C00315 CH$LINK: NIKKAJI J10.054D -CH$LINK: PUBCHEM SID:3609 +CH$LINK: PUBCHEM CID:1102 CH$LINK: INCHIKEY ATHGHQPFGPMSJY-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID4036645 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO003977.txt b/Keio_Univ/MSBNK-Keio_Univ-KO003977.txt index 9a2b5c737fd..fef0f4ee5fe 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO003977.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO003977.txt @@ -16,7 +16,7 @@ CH$LINK: CHEBI CHEBI:15746 CH$LINK: CHEMPDB SPM CH$LINK: KEGG C00750 CH$LINK: NIKKAJI J5.246I -CH$LINK: PUBCHEM SID:4012 +CH$LINK: PUBCHEM CID:1103 CH$LINK: INCHIKEY PFNFFQXMRSDOHW-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID9058781 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO003978.txt b/Keio_Univ/MSBNK-Keio_Univ-KO003978.txt index c920061fa42..22b2ca75b77 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO003978.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO003978.txt @@ -16,7 +16,7 @@ CH$LINK: CHEBI CHEBI:15746 CH$LINK: CHEMPDB SPM CH$LINK: KEGG C00750 CH$LINK: NIKKAJI J5.246I -CH$LINK: PUBCHEM SID:4012 +CH$LINK: PUBCHEM CID:1103 CH$LINK: INCHIKEY PFNFFQXMRSDOHW-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID9058781 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO003979.txt b/Keio_Univ/MSBNK-Keio_Univ-KO003979.txt index 56879687b7f..25b3a5b4951 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO003979.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO003979.txt @@ -16,7 +16,7 @@ CH$LINK: CHEBI CHEBI:15746 CH$LINK: CHEMPDB SPM CH$LINK: KEGG C00750 CH$LINK: NIKKAJI J5.246I -CH$LINK: PUBCHEM SID:4012 +CH$LINK: PUBCHEM CID:1103 CH$LINK: INCHIKEY PFNFFQXMRSDOHW-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID9058781 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO003980.txt b/Keio_Univ/MSBNK-Keio_Univ-KO003980.txt index 0896d627c2b..16f9b03192a 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO003980.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO003980.txt @@ -16,7 +16,7 @@ CH$LINK: CHEBI CHEBI:15746 CH$LINK: CHEMPDB SPM CH$LINK: KEGG C00750 CH$LINK: NIKKAJI J5.246I -CH$LINK: PUBCHEM SID:4012 +CH$LINK: PUBCHEM CID:1103 CH$LINK: INCHIKEY PFNFFQXMRSDOHW-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID9058781 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO003981.txt b/Keio_Univ/MSBNK-Keio_Univ-KO003981.txt index f122f20c6a2..a1ff38d7d93 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO003981.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO003981.txt @@ -16,7 +16,7 @@ CH$LINK: CHEBI CHEBI:15746 CH$LINK: CHEMPDB SPM CH$LINK: KEGG C00750 CH$LINK: NIKKAJI J5.246I -CH$LINK: PUBCHEM SID:4012 +CH$LINK: PUBCHEM CID:1103 CH$LINK: INCHIKEY PFNFFQXMRSDOHW-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID9058781 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO003982.txt b/Keio_Univ/MSBNK-Keio_Univ-KO003982.txt index 2d346401d4f..8394fd503f7 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO003982.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO003982.txt @@ -18,7 +18,7 @@ CH$IUPAC: InChI=1S/C8H14O4/c9-7(10)5-3-1-2-4-6-8(11)12/h1-6H2,(H,9,10)(H,11,12) CH$LINK: CAS 505-48-6 CH$LINK: KEGG C08278 CH$LINK: NIKKAJI J6.225A -CH$LINK: PUBCHEM SID:10476 +CH$LINK: PUBCHEM CID:10457 CH$LINK: INCHIKEY TYFQFVWCELRYAO-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID8021644 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO003983.txt b/Keio_Univ/MSBNK-Keio_Univ-KO003983.txt index c2b5c1baa42..f91b86d8caa 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO003983.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO003983.txt @@ -18,7 +18,7 @@ CH$IUPAC: InChI=1S/C8H14O4/c9-7(10)5-3-1-2-4-6-8(11)12/h1-6H2,(H,9,10)(H,11,12) CH$LINK: CAS 505-48-6 CH$LINK: KEGG C08278 CH$LINK: NIKKAJI J6.225A -CH$LINK: PUBCHEM SID:10476 +CH$LINK: PUBCHEM CID:10457 CH$LINK: INCHIKEY TYFQFVWCELRYAO-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID8021644 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO003984.txt b/Keio_Univ/MSBNK-Keio_Univ-KO003984.txt index 7b729b5f51d..46acb71bbc9 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO003984.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO003984.txt @@ -18,7 +18,7 @@ CH$IUPAC: InChI=1S/C8H14O4/c9-7(10)5-3-1-2-4-6-8(11)12/h1-6H2,(H,9,10)(H,11,12) CH$LINK: CAS 505-48-6 CH$LINK: KEGG C08278 CH$LINK: NIKKAJI J6.225A -CH$LINK: PUBCHEM SID:10476 +CH$LINK: PUBCHEM CID:10457 CH$LINK: INCHIKEY TYFQFVWCELRYAO-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID8021644 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO003985.txt b/Keio_Univ/MSBNK-Keio_Univ-KO003985.txt index cb4f85e78c6..c6360d13e73 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO003985.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO003985.txt @@ -18,7 +18,7 @@ CH$IUPAC: InChI=1S/C8H14O4/c9-7(10)5-3-1-2-4-6-8(11)12/h1-6H2,(H,9,10)(H,11,12) CH$LINK: CAS 505-48-6 CH$LINK: KEGG C08278 CH$LINK: NIKKAJI J6.225A -CH$LINK: PUBCHEM SID:10476 +CH$LINK: PUBCHEM CID:10457 CH$LINK: INCHIKEY TYFQFVWCELRYAO-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID8021644 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO003986.txt b/Keio_Univ/MSBNK-Keio_Univ-KO003986.txt index 521137fed27..8ae90106089 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO003986.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO003986.txt @@ -18,7 +18,7 @@ CH$IUPAC: InChI=1S/C8H14O4/c9-7(10)5-3-1-2-4-6-8(11)12/h1-6H2,(H,9,10)(H,11,12) CH$LINK: CAS 505-48-6 CH$LINK: KEGG C08278 CH$LINK: NIKKAJI J6.225A -CH$LINK: PUBCHEM SID:10476 +CH$LINK: PUBCHEM CID:10457 CH$LINK: INCHIKEY TYFQFVWCELRYAO-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID8021644 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO003987.txt b/Keio_Univ/MSBNK-Keio_Univ-KO003987.txt index 0d6caa0b90a..b7aeec7781c 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO003987.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO003987.txt @@ -15,7 +15,7 @@ CH$LINK: CAS 107-97-1 CH$LINK: CHEBI CHEBI:15611 CH$LINK: KEGG C00213 CH$LINK: NIKKAJI J5.067I -CH$LINK: PUBCHEM SID:3513 +CH$LINK: PUBCHEM CID:1088 CH$LINK: INCHIKEY FSYKKLYZXJSNPZ-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID1047025 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO003988.txt b/Keio_Univ/MSBNK-Keio_Univ-KO003988.txt index 0ae5d21abd1..8664a05e72d 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO003988.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO003988.txt @@ -15,7 +15,7 @@ CH$LINK: CAS 107-97-1 CH$LINK: CHEBI CHEBI:15611 CH$LINK: KEGG C00213 CH$LINK: NIKKAJI J5.067I -CH$LINK: PUBCHEM SID:3513 +CH$LINK: PUBCHEM CID:1088 CH$LINK: INCHIKEY FSYKKLYZXJSNPZ-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID1047025 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO003989.txt b/Keio_Univ/MSBNK-Keio_Univ-KO003989.txt index cee74b21b24..72a71286d47 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO003989.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO003989.txt @@ -15,7 +15,7 @@ CH$LINK: CAS 107-97-1 CH$LINK: CHEBI CHEBI:15611 CH$LINK: KEGG C00213 CH$LINK: NIKKAJI J5.067I -CH$LINK: PUBCHEM SID:3513 +CH$LINK: PUBCHEM CID:1088 CH$LINK: INCHIKEY FSYKKLYZXJSNPZ-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID1047025 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO003990.txt b/Keio_Univ/MSBNK-Keio_Univ-KO003990.txt index 8516e78a37a..ef16b9a890e 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO003990.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO003990.txt @@ -15,7 +15,7 @@ CH$LINK: CAS 107-97-1 CH$LINK: CHEBI CHEBI:15611 CH$LINK: KEGG C00213 CH$LINK: NIKKAJI J5.067I -CH$LINK: PUBCHEM SID:3513 +CH$LINK: PUBCHEM CID:1088 CH$LINK: INCHIKEY FSYKKLYZXJSNPZ-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID1047025 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO003991.txt b/Keio_Univ/MSBNK-Keio_Univ-KO003991.txt index c1e3ee4245f..47d7181bb30 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO003991.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO003991.txt @@ -15,7 +15,7 @@ CH$LINK: CAS 107-97-1 CH$LINK: CHEBI CHEBI:15611 CH$LINK: KEGG C00213 CH$LINK: NIKKAJI J5.067I -CH$LINK: PUBCHEM SID:3513 +CH$LINK: PUBCHEM CID:1088 CH$LINK: INCHIKEY FSYKKLYZXJSNPZ-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID1047025 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO003992.txt b/Keio_Univ/MSBNK-Keio_Univ-KO003992.txt index 60c4c56c9a1..41c2b9b6e93 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO003992.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO003992.txt @@ -16,7 +16,7 @@ CH$LINK: CHEBI CHEBI:9333 CH$LINK: CHEMPDB SAN CH$LINK: KEGG C07458 CH$LINK: NIKKAJI J4.829A -CH$LINK: PUBCHEM SID:9661 +CH$LINK: PUBCHEM CID:5333 CH$LINK: INCHIKEY FDDDEECHVMSUSB-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID4023622 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO003993.txt b/Keio_Univ/MSBNK-Keio_Univ-KO003993.txt index 1c576b698ed..db14a0dcd4b 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO003993.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO003993.txt @@ -16,7 +16,7 @@ CH$LINK: CHEBI CHEBI:9333 CH$LINK: CHEMPDB SAN CH$LINK: KEGG C07458 CH$LINK: NIKKAJI J4.829A -CH$LINK: PUBCHEM SID:9661 +CH$LINK: PUBCHEM CID:5333 CH$LINK: INCHIKEY FDDDEECHVMSUSB-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID4023622 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO003994.txt b/Keio_Univ/MSBNK-Keio_Univ-KO003994.txt index e1d6c068033..cae234d9125 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO003994.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO003994.txt @@ -16,7 +16,7 @@ CH$LINK: CHEBI CHEBI:9333 CH$LINK: CHEMPDB SAN CH$LINK: KEGG C07458 CH$LINK: NIKKAJI J4.829A -CH$LINK: PUBCHEM SID:9661 +CH$LINK: PUBCHEM CID:5333 CH$LINK: INCHIKEY FDDDEECHVMSUSB-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID4023622 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO003995.txt b/Keio_Univ/MSBNK-Keio_Univ-KO003995.txt index 7d3f1171c49..d4b48b2f4ef 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO003995.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO003995.txt @@ -16,7 +16,7 @@ CH$LINK: CHEBI CHEBI:9333 CH$LINK: CHEMPDB SAN CH$LINK: KEGG C07458 CH$LINK: NIKKAJI J4.829A -CH$LINK: PUBCHEM SID:9661 +CH$LINK: PUBCHEM CID:5333 CH$LINK: INCHIKEY FDDDEECHVMSUSB-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID4023622 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO003996.txt b/Keio_Univ/MSBNK-Keio_Univ-KO003996.txt index 9de772c925b..4282b0b0724 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO003996.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO003996.txt @@ -16,7 +16,7 @@ CH$LINK: CHEBI CHEBI:9333 CH$LINK: CHEMPDB SAN CH$LINK: KEGG C07458 CH$LINK: NIKKAJI J4.829A -CH$LINK: PUBCHEM SID:9661 +CH$LINK: PUBCHEM CID:5333 CH$LINK: INCHIKEY FDDDEECHVMSUSB-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID4023622 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO003997.txt b/Keio_Univ/MSBNK-Keio_Univ-KO003997.txt index 59afe5186aa..db3bfbb5b88 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO003997.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO003997.txt @@ -15,7 +15,7 @@ CH$LINK: CHEBI CHEBI:17076 CH$LINK: CHEMPDB SRY CH$LINK: KEGG C00413 CH$LINK: NIKKAJI J4.500D -CH$LINK: PUBCHEM SID:3703 +CH$LINK: PUBCHEM CID:19649 CH$LINK: INCHIKEY UCSJYZPVAKXKNQ-HZYVHMACSA-N CH$LINK: COMPTOX DTXSID4023597 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO003998.txt b/Keio_Univ/MSBNK-Keio_Univ-KO003998.txt index 6afec932d08..fab6e502d47 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO003998.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO003998.txt @@ -15,7 +15,7 @@ CH$LINK: CHEBI CHEBI:17076 CH$LINK: CHEMPDB SRY CH$LINK: KEGG C00413 CH$LINK: NIKKAJI J4.500D -CH$LINK: PUBCHEM SID:3703 +CH$LINK: PUBCHEM CID:19649 CH$LINK: INCHIKEY UCSJYZPVAKXKNQ-HZYVHMACSA-N CH$LINK: COMPTOX DTXSID4023597 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO003999.txt b/Keio_Univ/MSBNK-Keio_Univ-KO003999.txt index 64ee6e911f5..b7b048d6c95 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO003999.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO003999.txt @@ -15,7 +15,7 @@ CH$LINK: CHEBI CHEBI:17076 CH$LINK: CHEMPDB SRY CH$LINK: KEGG C00413 CH$LINK: NIKKAJI J4.500D -CH$LINK: PUBCHEM SID:3703 +CH$LINK: PUBCHEM CID:19649 CH$LINK: INCHIKEY UCSJYZPVAKXKNQ-HZYVHMACSA-N CH$LINK: COMPTOX DTXSID4023597 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO004000.txt b/Keio_Univ/MSBNK-Keio_Univ-KO004000.txt index a9a6cb60701..39d2c5396be 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO004000.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO004000.txt @@ -15,7 +15,7 @@ CH$LINK: CHEBI CHEBI:17076 CH$LINK: CHEMPDB SRY CH$LINK: KEGG C00413 CH$LINK: NIKKAJI J4.500D -CH$LINK: PUBCHEM SID:3703 +CH$LINK: PUBCHEM CID:19649 CH$LINK: INCHIKEY UCSJYZPVAKXKNQ-HZYVHMACSA-N CH$LINK: COMPTOX DTXSID4023597 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO004001.txt b/Keio_Univ/MSBNK-Keio_Univ-KO004001.txt index 96165f489da..0c994dbd839 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO004001.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO004001.txt @@ -15,7 +15,7 @@ CH$LINK: CHEBI CHEBI:17076 CH$LINK: CHEMPDB SRY CH$LINK: KEGG C00413 CH$LINK: NIKKAJI J4.500D -CH$LINK: PUBCHEM SID:3703 +CH$LINK: PUBCHEM CID:19649 CH$LINK: INCHIKEY UCSJYZPVAKXKNQ-HZYVHMACSA-N CH$LINK: COMPTOX DTXSID4023597 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO004002.txt b/Keio_Univ/MSBNK-Keio_Univ-KO004002.txt index 5ff18f3c00f..5f74b41b732 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO004002.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO004002.txt @@ -15,7 +15,7 @@ CH$LINK: CHEBI CHEBI:17076 CH$LINK: CHEMPDB SRY CH$LINK: KEGG C00413 CH$LINK: NIKKAJI J4.500D -CH$LINK: PUBCHEM SID:3703 +CH$LINK: PUBCHEM CID:19649 CH$LINK: INCHIKEY UCSJYZPVAKXKNQ-HZYVHMACSA-N CH$LINK: COMPTOX DTXSID4023597 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO004003.txt b/Keio_Univ/MSBNK-Keio_Univ-KO004003.txt index 60d08f0617f..cc17e1ce566 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO004003.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO004003.txt @@ -15,7 +15,7 @@ CH$LINK: CHEBI CHEBI:17076 CH$LINK: CHEMPDB SRY CH$LINK: KEGG C00413 CH$LINK: NIKKAJI J4.500D -CH$LINK: PUBCHEM SID:3703 +CH$LINK: PUBCHEM CID:19649 CH$LINK: INCHIKEY UCSJYZPVAKXKNQ-HZYVHMACSA-N CH$LINK: COMPTOX DTXSID4023597 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO004004.txt b/Keio_Univ/MSBNK-Keio_Univ-KO004004.txt index 2df177fd9f8..a8b491611d2 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO004004.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO004004.txt @@ -15,7 +15,7 @@ CH$LINK: CHEBI CHEBI:17076 CH$LINK: CHEMPDB SRY CH$LINK: KEGG C00413 CH$LINK: NIKKAJI J4.500D -CH$LINK: PUBCHEM SID:3703 +CH$LINK: PUBCHEM CID:19649 CH$LINK: INCHIKEY UCSJYZPVAKXKNQ-HZYVHMACSA-N CH$LINK: COMPTOX DTXSID4023597 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO004005.txt b/Keio_Univ/MSBNK-Keio_Univ-KO004005.txt index cf30bebf8bc..b76e92d1be5 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO004005.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO004005.txt @@ -15,7 +15,7 @@ CH$LINK: CHEBI CHEBI:17076 CH$LINK: CHEMPDB SRY CH$LINK: KEGG C00413 CH$LINK: NIKKAJI J4.500D -CH$LINK: PUBCHEM SID:3703 +CH$LINK: PUBCHEM CID:19649 CH$LINK: INCHIKEY UCSJYZPVAKXKNQ-HZYVHMACSA-N CH$LINK: COMPTOX DTXSID4023597 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO004006.txt b/Keio_Univ/MSBNK-Keio_Univ-KO004006.txt index a414eaaff04..05b4dc06758 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO004006.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO004006.txt @@ -15,7 +15,7 @@ CH$LINK: CHEBI CHEBI:17076 CH$LINK: CHEMPDB SRY CH$LINK: KEGG C00413 CH$LINK: NIKKAJI J4.500D -CH$LINK: PUBCHEM SID:3703 +CH$LINK: PUBCHEM CID:19649 CH$LINK: INCHIKEY UCSJYZPVAKXKNQ-HZYVHMACSA-N CH$LINK: COMPTOX DTXSID4023597 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO004007.txt b/Keio_Univ/MSBNK-Keio_Univ-KO004007.txt index bb0ef0bc1ac..e57303558cb 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO004007.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO004007.txt @@ -16,7 +16,7 @@ CH$IUPAC: InChI=1S/CH5N3O/c2-1(5)4-3/h3H2,(H3,2,4,5) CH$LINK: CAS 57-56-7 CH$LINK: KEGG C02077 CH$LINK: NIKKAJI J4.582I -CH$LINK: PUBCHEM SID:5163 +CH$LINK: PUBCHEM CID:5196 CH$LINK: INCHIKEY DUIOPKIIICUYRZ-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID7043823 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO004008.txt b/Keio_Univ/MSBNK-Keio_Univ-KO004008.txt index 025e9b450a4..e58755d0205 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO004008.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO004008.txt @@ -16,7 +16,7 @@ CH$IUPAC: InChI=1S/CH5N3O/c2-1(5)4-3/h3H2,(H3,2,4,5) CH$LINK: CAS 57-56-7 CH$LINK: KEGG C02077 CH$LINK: NIKKAJI J4.582I -CH$LINK: PUBCHEM SID:5163 +CH$LINK: PUBCHEM CID:5196 CH$LINK: INCHIKEY DUIOPKIIICUYRZ-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID7043823 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO004009.txt b/Keio_Univ/MSBNK-Keio_Univ-KO004009.txt index a0147fbbe51..0949bd21f25 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO004009.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO004009.txt @@ -16,7 +16,7 @@ CH$IUPAC: InChI=1S/CH5N3O/c2-1(5)4-3/h3H2,(H3,2,4,5) CH$LINK: CAS 57-56-7 CH$LINK: KEGG C02077 CH$LINK: NIKKAJI J4.582I -CH$LINK: PUBCHEM SID:5163 +CH$LINK: PUBCHEM CID:5196 CH$LINK: INCHIKEY DUIOPKIIICUYRZ-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID7043823 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO004010.txt b/Keio_Univ/MSBNK-Keio_Univ-KO004010.txt index 3d621c402b6..75ee6941d34 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO004010.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO004010.txt @@ -16,7 +16,7 @@ CH$IUPAC: InChI=1S/CH5N3O/c2-1(5)4-3/h3H2,(H3,2,4,5) CH$LINK: CAS 57-56-7 CH$LINK: KEGG C02077 CH$LINK: NIKKAJI J4.582I -CH$LINK: PUBCHEM SID:5163 +CH$LINK: PUBCHEM CID:5196 CH$LINK: INCHIKEY DUIOPKIIICUYRZ-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID7043823 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO004011.txt b/Keio_Univ/MSBNK-Keio_Univ-KO004011.txt index 0af4cf7ad30..f0dc31b4acc 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO004011.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO004011.txt @@ -16,7 +16,7 @@ CH$IUPAC: InChI=1S/CH5N3O/c2-1(5)4-3/h3H2,(H3,2,4,5) CH$LINK: CAS 57-56-7 CH$LINK: KEGG C02077 CH$LINK: NIKKAJI J4.582I -CH$LINK: PUBCHEM SID:5163 +CH$LINK: PUBCHEM CID:5196 CH$LINK: INCHIKEY DUIOPKIIICUYRZ-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID7043823 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO004017.txt b/Keio_Univ/MSBNK-Keio_Univ-KO004017.txt index f5d8a55e254..7225233bcc7 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO004017.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO004017.txt @@ -17,7 +17,7 @@ CH$LINK: CAS 50-67-9 CH$LINK: CHEBI CHEBI:28790 CH$LINK: KEGG C00780 CH$LINK: NIKKAJI J4.107F -CH$LINK: PUBCHEM SID:4041 +CH$LINK: PUBCHEM CID:5202 CH$LINK: INCHIKEY QZAYGJVTTNCVMB-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID8075330 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO004018.txt b/Keio_Univ/MSBNK-Keio_Univ-KO004018.txt index cb5f0093310..f73844f59f2 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO004018.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO004018.txt @@ -17,7 +17,7 @@ CH$LINK: CAS 50-67-9 CH$LINK: CHEBI CHEBI:28790 CH$LINK: KEGG C00780 CH$LINK: NIKKAJI J4.107F -CH$LINK: PUBCHEM SID:4041 +CH$LINK: PUBCHEM CID:5202 CH$LINK: INCHIKEY QZAYGJVTTNCVMB-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID8075330 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO004019.txt b/Keio_Univ/MSBNK-Keio_Univ-KO004019.txt index 6f5ee5265ea..23c48fb2f1f 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO004019.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO004019.txt @@ -17,7 +17,7 @@ CH$LINK: CAS 50-67-9 CH$LINK: CHEBI CHEBI:28790 CH$LINK: KEGG C00780 CH$LINK: NIKKAJI J4.107F -CH$LINK: PUBCHEM SID:4041 +CH$LINK: PUBCHEM CID:5202 CH$LINK: INCHIKEY QZAYGJVTTNCVMB-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID8075330 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO004020.txt b/Keio_Univ/MSBNK-Keio_Univ-KO004020.txt index 110be6990da..9caae518d57 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO004020.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO004020.txt @@ -17,7 +17,7 @@ CH$LINK: CAS 50-67-9 CH$LINK: CHEBI CHEBI:28790 CH$LINK: KEGG C00780 CH$LINK: NIKKAJI J4.107F -CH$LINK: PUBCHEM SID:4041 +CH$LINK: PUBCHEM CID:5202 CH$LINK: INCHIKEY QZAYGJVTTNCVMB-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID8075330 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO004021.txt b/Keio_Univ/MSBNK-Keio_Univ-KO004021.txt index 0a46458f60c..457d7f19b4a 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO004021.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO004021.txt @@ -17,7 +17,7 @@ CH$LINK: CAS 50-67-9 CH$LINK: CHEBI CHEBI:28790 CH$LINK: KEGG C00780 CH$LINK: NIKKAJI J4.107F -CH$LINK: PUBCHEM SID:4041 +CH$LINK: PUBCHEM CID:5202 CH$LINK: INCHIKEY QZAYGJVTTNCVMB-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID8075330 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO004023.txt b/Keio_Univ/MSBNK-Keio_Univ-KO004023.txt index 79958306d11..7d098a60292 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO004023.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO004023.txt @@ -14,7 +14,7 @@ CH$LINK: CAS 2447-54-3 CH$LINK: CHEBI CHEBI:17183 CH$LINK: KEGG C06162 CH$LINK: NIKKAJI J7.576K -CH$LINK: PUBCHEM SID:8418 +CH$LINK: PUBCHEM CID:5154 CH$LINK: INCHIKEY INVGWHRKADIJHF-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID0045204 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO004024.txt b/Keio_Univ/MSBNK-Keio_Univ-KO004024.txt index 7b57a1a4eb0..929f90fd3e8 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO004024.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO004024.txt @@ -14,7 +14,7 @@ CH$LINK: CAS 2447-54-3 CH$LINK: CHEBI CHEBI:17183 CH$LINK: KEGG C06162 CH$LINK: NIKKAJI J7.576K -CH$LINK: PUBCHEM SID:8418 +CH$LINK: PUBCHEM CID:5154 CH$LINK: INCHIKEY INVGWHRKADIJHF-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID0045204 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO004025.txt b/Keio_Univ/MSBNK-Keio_Univ-KO004025.txt index f08e6ebc0f3..80b0d1136b7 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO004025.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO004025.txt @@ -14,7 +14,7 @@ CH$LINK: CAS 2447-54-3 CH$LINK: CHEBI CHEBI:17183 CH$LINK: KEGG C06162 CH$LINK: NIKKAJI J7.576K -CH$LINK: PUBCHEM SID:8418 +CH$LINK: PUBCHEM CID:5154 CH$LINK: INCHIKEY INVGWHRKADIJHF-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID0045204 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO004026.txt b/Keio_Univ/MSBNK-Keio_Univ-KO004026.txt index 005f46a59f0..1797311ef04 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO004026.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO004026.txt @@ -14,7 +14,7 @@ CH$LINK: CAS 2447-54-3 CH$LINK: CHEBI CHEBI:17183 CH$LINK: KEGG C06162 CH$LINK: NIKKAJI J7.576K -CH$LINK: PUBCHEM SID:8418 +CH$LINK: PUBCHEM CID:5154 CH$LINK: INCHIKEY INVGWHRKADIJHF-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID0045204 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO004027.txt b/Keio_Univ/MSBNK-Keio_Univ-KO004027.txt index 045d06cef9e..6878bdc301f 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO004027.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO004027.txt @@ -14,7 +14,7 @@ CH$IUPAC: InChI=1S/C14H24N2O7/c1-5-4-6(17)14(20)13(21-5)22-12-10(19)7(15-2)9(18) CH$LINK: CAS 1695-77-8 CH$LINK: KEGG C02078 CH$LINK: NIKKAJI J7.562K -CH$LINK: PUBCHEM SID:5164 +CH$LINK: PUBCHEM CID:15541 CH$LINK: INCHIKEY UNFWWIHTNXNPBV-WXKVUWSESA-N CH$LINK: COMPTOX DTXSID9023592 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO004028.txt b/Keio_Univ/MSBNK-Keio_Univ-KO004028.txt index 880be38b5e4..e58c2d16e25 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO004028.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO004028.txt @@ -14,7 +14,7 @@ CH$IUPAC: InChI=1S/C14H24N2O7/c1-5-4-6(17)14(20)13(21-5)22-12-10(19)7(15-2)9(18) CH$LINK: CAS 1695-77-8 CH$LINK: KEGG C02078 CH$LINK: NIKKAJI J7.562K -CH$LINK: PUBCHEM SID:5164 +CH$LINK: PUBCHEM CID:15541 CH$LINK: INCHIKEY UNFWWIHTNXNPBV-WXKVUWSESA-N CH$LINK: COMPTOX DTXSID9023592 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO004029.txt b/Keio_Univ/MSBNK-Keio_Univ-KO004029.txt index e8d4d6f376a..dc20c6aebbc 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO004029.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO004029.txt @@ -14,7 +14,7 @@ CH$IUPAC: InChI=1S/C14H24N2O7/c1-5-4-6(17)14(20)13(21-5)22-12-10(19)7(15-2)9(18) CH$LINK: CAS 1695-77-8 CH$LINK: KEGG C02078 CH$LINK: NIKKAJI J7.562K -CH$LINK: PUBCHEM SID:5164 +CH$LINK: PUBCHEM CID:15541 CH$LINK: INCHIKEY UNFWWIHTNXNPBV-WXKVUWSESA-N CH$LINK: COMPTOX DTXSID9023592 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO004030.txt b/Keio_Univ/MSBNK-Keio_Univ-KO004030.txt index 4535244db25..866c00cb2ae 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO004030.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO004030.txt @@ -14,7 +14,7 @@ CH$IUPAC: InChI=1S/C14H24N2O7/c1-5-4-6(17)14(20)13(21-5)22-12-10(19)7(15-2)9(18) CH$LINK: CAS 1695-77-8 CH$LINK: KEGG C02078 CH$LINK: NIKKAJI J7.562K -CH$LINK: PUBCHEM SID:5164 +CH$LINK: PUBCHEM CID:15541 CH$LINK: INCHIKEY UNFWWIHTNXNPBV-WXKVUWSESA-N CH$LINK: COMPTOX DTXSID9023592 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO004031.txt b/Keio_Univ/MSBNK-Keio_Univ-KO004031.txt index fdbd49a1540..dd01cf5c727 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO004031.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO004031.txt @@ -14,7 +14,7 @@ CH$IUPAC: InChI=1S/C14H24N2O7/c1-5-4-6(17)14(20)13(21-5)22-12-10(19)7(15-2)9(18) CH$LINK: CAS 1695-77-8 CH$LINK: KEGG C02078 CH$LINK: NIKKAJI J7.562K -CH$LINK: PUBCHEM SID:5164 +CH$LINK: PUBCHEM CID:15541 CH$LINK: INCHIKEY UNFWWIHTNXNPBV-WXKVUWSESA-N CH$LINK: COMPTOX DTXSID9023592 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO004032.txt b/Keio_Univ/MSBNK-Keio_Univ-KO004032.txt index e26d7f54871..351c4ff648a 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO004032.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO004032.txt @@ -17,7 +17,7 @@ CH$LINK: CAS 32385-11-8 CH$LINK: CHEBI CHEBI:9169 CH$LINK: KEGG C00494 CH$LINK: NIKKAJI J342.544D -CH$LINK: PUBCHEM SID:3777 +CH$LINK: PUBCHEM CID:36119 CH$LINK: INCHIKEY URWAJWIAIPFPJE-YFMIWBNJSA-N AC$INSTRUMENT: API3000, Applied Biosystems AC$INSTRUMENT_TYPE: LC-ESI-QQ diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO004033.txt b/Keio_Univ/MSBNK-Keio_Univ-KO004033.txt index 4bd84d50d11..b605450dde6 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO004033.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO004033.txt @@ -17,7 +17,7 @@ CH$LINK: CAS 32385-11-8 CH$LINK: CHEBI CHEBI:9169 CH$LINK: KEGG C00494 CH$LINK: NIKKAJI J342.544D -CH$LINK: PUBCHEM SID:3777 +CH$LINK: PUBCHEM CID:36119 CH$LINK: INCHIKEY URWAJWIAIPFPJE-YFMIWBNJSA-N AC$INSTRUMENT: API3000, Applied Biosystems AC$INSTRUMENT_TYPE: LC-ESI-QQ diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO004034.txt b/Keio_Univ/MSBNK-Keio_Univ-KO004034.txt index 14649219737..d0ad66e37a4 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO004034.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO004034.txt @@ -17,7 +17,7 @@ CH$LINK: CAS 32385-11-8 CH$LINK: CHEBI CHEBI:9169 CH$LINK: KEGG C00494 CH$LINK: NIKKAJI J342.544D -CH$LINK: PUBCHEM SID:3777 +CH$LINK: PUBCHEM CID:36119 CH$LINK: INCHIKEY URWAJWIAIPFPJE-YFMIWBNJSA-N AC$INSTRUMENT: API3000, Applied Biosystems AC$INSTRUMENT_TYPE: LC-ESI-QQ diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO004035.txt b/Keio_Univ/MSBNK-Keio_Univ-KO004035.txt index 19833e34c72..ea1e9cb5408 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO004035.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO004035.txt @@ -17,7 +17,7 @@ CH$LINK: CAS 32385-11-8 CH$LINK: CHEBI CHEBI:9169 CH$LINK: KEGG C00494 CH$LINK: NIKKAJI J342.544D -CH$LINK: PUBCHEM SID:3777 +CH$LINK: PUBCHEM CID:36119 CH$LINK: INCHIKEY URWAJWIAIPFPJE-YFMIWBNJSA-N AC$INSTRUMENT: API3000, Applied Biosystems AC$INSTRUMENT_TYPE: LC-ESI-QQ diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO004036.txt b/Keio_Univ/MSBNK-Keio_Univ-KO004036.txt index 27060381099..8e1c5b22c14 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO004036.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO004036.txt @@ -17,7 +17,7 @@ CH$LINK: CAS 32385-11-8 CH$LINK: CHEBI CHEBI:9169 CH$LINK: KEGG C00494 CH$LINK: NIKKAJI J342.544D -CH$LINK: PUBCHEM SID:3777 +CH$LINK: PUBCHEM CID:36119 CH$LINK: INCHIKEY URWAJWIAIPFPJE-YFMIWBNJSA-N AC$INSTRUMENT: API3000, Applied Biosystems AC$INSTRUMENT_TYPE: LC-ESI-QQ diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO004037.txt b/Keio_Univ/MSBNK-Keio_Univ-KO004037.txt index 52f04c69cd5..cccfbb86386 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO004037.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO004037.txt @@ -17,7 +17,7 @@ CH$LINK: CAS 32385-11-8 CH$LINK: CHEBI CHEBI:9169 CH$LINK: KEGG C00494 CH$LINK: NIKKAJI J342.544D -CH$LINK: PUBCHEM SID:3777 +CH$LINK: PUBCHEM CID:36119 CH$LINK: INCHIKEY URWAJWIAIPFPJE-YFMIWBNJSA-N AC$INSTRUMENT: API3000, Applied Biosystems AC$INSTRUMENT_TYPE: LC-ESI-QQ diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO004038.txt b/Keio_Univ/MSBNK-Keio_Univ-KO004038.txt index 50a7ce5ef1f..12ffdda84bb 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO004038.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO004038.txt @@ -17,7 +17,7 @@ CH$LINK: CAS 32385-11-8 CH$LINK: CHEBI CHEBI:9169 CH$LINK: KEGG C00494 CH$LINK: NIKKAJI J342.544D -CH$LINK: PUBCHEM SID:3777 +CH$LINK: PUBCHEM CID:36119 CH$LINK: INCHIKEY URWAJWIAIPFPJE-YFMIWBNJSA-N AC$INSTRUMENT: API3000, Applied Biosystems AC$INSTRUMENT_TYPE: LC-ESI-QQ diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO004039.txt b/Keio_Univ/MSBNK-Keio_Univ-KO004039.txt index 15f5ac4ec65..82ce2cff3e4 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO004039.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO004039.txt @@ -17,7 +17,7 @@ CH$LINK: CAS 32385-11-8 CH$LINK: CHEBI CHEBI:9169 CH$LINK: KEGG C00494 CH$LINK: NIKKAJI J342.544D -CH$LINK: PUBCHEM SID:3777 +CH$LINK: PUBCHEM CID:36119 CH$LINK: INCHIKEY URWAJWIAIPFPJE-YFMIWBNJSA-N AC$INSTRUMENT: API3000, Applied Biosystems AC$INSTRUMENT_TYPE: LC-ESI-QQ diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO004040.txt b/Keio_Univ/MSBNK-Keio_Univ-KO004040.txt index e2fff35ceb0..c334158d752 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO004040.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO004040.txt @@ -17,7 +17,7 @@ CH$LINK: CAS 32385-11-8 CH$LINK: CHEBI CHEBI:9169 CH$LINK: KEGG C00494 CH$LINK: NIKKAJI J342.544D -CH$LINK: PUBCHEM SID:3777 +CH$LINK: PUBCHEM CID:36119 CH$LINK: INCHIKEY URWAJWIAIPFPJE-YFMIWBNJSA-N AC$INSTRUMENT: API3000, Applied Biosystems AC$INSTRUMENT_TYPE: LC-ESI-QQ diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO004041.txt b/Keio_Univ/MSBNK-Keio_Univ-KO004041.txt index 13d6b5e00c9..2ff2033ab84 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO004041.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO004041.txt @@ -17,7 +17,7 @@ CH$LINK: CAS 32385-11-8 CH$LINK: CHEBI CHEBI:9169 CH$LINK: KEGG C00494 CH$LINK: NIKKAJI J342.544D -CH$LINK: PUBCHEM SID:3777 +CH$LINK: PUBCHEM CID:36119 CH$LINK: INCHIKEY URWAJWIAIPFPJE-YFMIWBNJSA-N AC$INSTRUMENT: API3000, Applied Biosystems AC$INSTRUMENT_TYPE: LC-ESI-QQ diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO004042.txt b/Keio_Univ/MSBNK-Keio_Univ-KO004042.txt index 7a809a150d5..7470ea60b54 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO004042.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO004042.txt @@ -14,7 +14,7 @@ CH$IUPAC: InChI=1S/C6H15O9P/c7-1-3(8)5(10)6(11)4(9)2-15-16(12,13)14/h3-11H,1-2H2 CH$LINK: CAS 20479-58-7 CH$LINK: CHEBI CHEBI:17044 CH$LINK: KEGG C01096 -CH$LINK: PUBCHEM SID:4331 +CH$LINK: PUBCHEM CID:152306 CH$LINK: INCHIKEY GACTWZZMVMUKNG-SLPGGIOYSA-N AC$INSTRUMENT: API3000, Applied Biosystems AC$INSTRUMENT_TYPE: LC-ESI-QQ diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO004043.txt b/Keio_Univ/MSBNK-Keio_Univ-KO004043.txt index ea743c1fab6..b578e4242be 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO004043.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO004043.txt @@ -14,7 +14,7 @@ CH$IUPAC: InChI=1S/C6H15O9P/c7-1-3(8)5(10)6(11)4(9)2-15-16(12,13)14/h3-11H,1-2H2 CH$LINK: CAS 20479-58-7 CH$LINK: CHEBI CHEBI:17044 CH$LINK: KEGG C01096 -CH$LINK: PUBCHEM SID:4331 +CH$LINK: PUBCHEM CID:152306 CH$LINK: INCHIKEY GACTWZZMVMUKNG-SLPGGIOYSA-N AC$INSTRUMENT: API3000, Applied Biosystems AC$INSTRUMENT_TYPE: LC-ESI-QQ diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO004044.txt b/Keio_Univ/MSBNK-Keio_Univ-KO004044.txt index d150f0140bf..5e5c268d8fc 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO004044.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO004044.txt @@ -14,7 +14,7 @@ CH$IUPAC: InChI=1S/C6H15O9P/c7-1-3(8)5(10)6(11)4(9)2-15-16(12,13)14/h3-11H,1-2H2 CH$LINK: CAS 20479-58-7 CH$LINK: CHEBI CHEBI:17044 CH$LINK: KEGG C01096 -CH$LINK: PUBCHEM SID:4331 +CH$LINK: PUBCHEM CID:152306 CH$LINK: INCHIKEY GACTWZZMVMUKNG-SLPGGIOYSA-N AC$INSTRUMENT: API3000, Applied Biosystems AC$INSTRUMENT_TYPE: LC-ESI-QQ diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO004045.txt b/Keio_Univ/MSBNK-Keio_Univ-KO004045.txt index ae92ffd2898..4f387651310 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO004045.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO004045.txt @@ -14,7 +14,7 @@ CH$IUPAC: InChI=1S/C6H15O9P/c7-1-3(8)5(10)6(11)4(9)2-15-16(12,13)14/h3-11H,1-2H2 CH$LINK: CAS 20479-58-7 CH$LINK: CHEBI CHEBI:17044 CH$LINK: KEGG C01096 -CH$LINK: PUBCHEM SID:4331 +CH$LINK: PUBCHEM CID:152306 CH$LINK: INCHIKEY GACTWZZMVMUKNG-SLPGGIOYSA-N AC$INSTRUMENT: API3000, Applied Biosystems AC$INSTRUMENT_TYPE: LC-ESI-QQ diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO004046.txt b/Keio_Univ/MSBNK-Keio_Univ-KO004046.txt index 4a6d82c99b1..0115ae64242 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO004046.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO004046.txt @@ -14,7 +14,7 @@ CH$IUPAC: InChI=1S/C6H15O9P/c7-1-3(8)5(10)6(11)4(9)2-15-16(12,13)14/h3-11H,1-2H2 CH$LINK: CAS 20479-58-7 CH$LINK: CHEBI CHEBI:17044 CH$LINK: KEGG C01096 -CH$LINK: PUBCHEM SID:4331 +CH$LINK: PUBCHEM CID:152306 CH$LINK: INCHIKEY GACTWZZMVMUKNG-SLPGGIOYSA-N AC$INSTRUMENT: API3000, Applied Biosystems AC$INSTRUMENT_TYPE: LC-ESI-QQ diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO004047.txt b/Keio_Univ/MSBNK-Keio_Univ-KO004047.txt index 779ed5a3366..164418b4e99 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO004047.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO004047.txt @@ -13,7 +13,7 @@ CH$IUPAC: InChI=1S/C20H17FO3S/c1-12-17(9-13-3-6-15(7-4-13)25(2)24)16-8-5-14(21)1 CH$LINK: CAS 38194-50-2 CH$LINK: KEGG C01531 CH$LINK: NIKKAJI J3.501G -CH$LINK: PUBCHEM SID:4693 +CH$LINK: PUBCHEM CID:1548887 CH$LINK: INCHIKEY MLKXDPUZXIRXEP-MFOYZWKCSA-N CH$LINK: COMPTOX DTXSID4023624 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO004048.txt b/Keio_Univ/MSBNK-Keio_Univ-KO004048.txt index 1f587e9aa65..6ec1764bcc6 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO004048.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO004048.txt @@ -13,7 +13,7 @@ CH$IUPAC: InChI=1S/C20H17FO3S/c1-12-17(9-13-3-6-15(7-4-13)25(2)24)16-8-5-14(21)1 CH$LINK: CAS 38194-50-2 CH$LINK: KEGG C01531 CH$LINK: NIKKAJI J3.501G -CH$LINK: PUBCHEM SID:4693 +CH$LINK: PUBCHEM CID:1548887 CH$LINK: INCHIKEY MLKXDPUZXIRXEP-MFOYZWKCSA-N CH$LINK: COMPTOX DTXSID4023624 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO004049.txt b/Keio_Univ/MSBNK-Keio_Univ-KO004049.txt index 7967b960410..59049de3d0c 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO004049.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO004049.txt @@ -13,7 +13,7 @@ CH$IUPAC: InChI=1S/C20H17FO3S/c1-12-17(9-13-3-6-15(7-4-13)25(2)24)16-8-5-14(21)1 CH$LINK: CAS 38194-50-2 CH$LINK: KEGG C01531 CH$LINK: NIKKAJI J3.501G -CH$LINK: PUBCHEM SID:4693 +CH$LINK: PUBCHEM CID:1548887 CH$LINK: INCHIKEY MLKXDPUZXIRXEP-MFOYZWKCSA-N CH$LINK: COMPTOX DTXSID4023624 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO004050.txt b/Keio_Univ/MSBNK-Keio_Univ-KO004050.txt index f0294e0dfba..461f93489a9 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO004050.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO004050.txt @@ -13,7 +13,7 @@ CH$IUPAC: InChI=1S/C20H17FO3S/c1-12-17(9-13-3-6-15(7-4-13)25(2)24)16-8-5-14(21)1 CH$LINK: CAS 38194-50-2 CH$LINK: KEGG C01531 CH$LINK: NIKKAJI J3.501G -CH$LINK: PUBCHEM SID:4693 +CH$LINK: PUBCHEM CID:1548887 CH$LINK: INCHIKEY MLKXDPUZXIRXEP-MFOYZWKCSA-N CH$LINK: COMPTOX DTXSID4023624 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO004051.txt b/Keio_Univ/MSBNK-Keio_Univ-KO004051.txt index d6d9cdbe24f..2ac094b820c 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO004051.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO004051.txt @@ -13,7 +13,7 @@ CH$IUPAC: InChI=1S/C20H17FO3S/c1-12-17(9-13-3-6-15(7-4-13)25(2)24)16-8-5-14(21)1 CH$LINK: CAS 38194-50-2 CH$LINK: KEGG C01531 CH$LINK: NIKKAJI J3.501G -CH$LINK: PUBCHEM SID:4693 +CH$LINK: PUBCHEM CID:1548887 CH$LINK: INCHIKEY MLKXDPUZXIRXEP-MFOYZWKCSA-N CH$LINK: COMPTOX DTXSID4023624 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO004052.txt b/Keio_Univ/MSBNK-Keio_Univ-KO004052.txt index bbd1f0557f1..a5aa8c7f1f0 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO004052.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO004052.txt @@ -14,7 +14,7 @@ CH$IUPAC: InChI=1S/C9H13NO2/c1-10-6-9(12)7-2-4-8(11)5-3-7/h2-5,9-12H,6H2,1H3/t9- CH$LINK: CAS 614-35-7 CH$LINK: CHEBI CHEBI:119 CH$LINK: KEGG C01869 -CH$LINK: PUBCHEM SID:4983 +CH$LINK: PUBCHEM CID:854067 CH$LINK: INCHIKEY YRCWQPVGYLYSOX-VIFPVBQESA-N CH$LINK: COMPTOX DTXSID70904723 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO004053.txt b/Keio_Univ/MSBNK-Keio_Univ-KO004053.txt index 55f0ec59058..f56cfabbdc9 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO004053.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO004053.txt @@ -14,7 +14,7 @@ CH$IUPAC: InChI=1S/C9H13NO2/c1-10-6-9(12)7-2-4-8(11)5-3-7/h2-5,9-12H,6H2,1H3/t9- CH$LINK: CAS 614-35-7 CH$LINK: CHEBI CHEBI:119 CH$LINK: KEGG C01869 -CH$LINK: PUBCHEM SID:4983 +CH$LINK: PUBCHEM CID:854067 CH$LINK: INCHIKEY YRCWQPVGYLYSOX-VIFPVBQESA-N CH$LINK: COMPTOX DTXSID70904723 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO004054.txt b/Keio_Univ/MSBNK-Keio_Univ-KO004054.txt index accb33aab18..4dcf2397a4a 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO004054.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO004054.txt @@ -14,7 +14,7 @@ CH$IUPAC: InChI=1S/C9H13NO2/c1-10-6-9(12)7-2-4-8(11)5-3-7/h2-5,9-12H,6H2,1H3/t9- CH$LINK: CAS 614-35-7 CH$LINK: CHEBI CHEBI:119 CH$LINK: KEGG C01869 -CH$LINK: PUBCHEM SID:4983 +CH$LINK: PUBCHEM CID:854067 CH$LINK: INCHIKEY YRCWQPVGYLYSOX-VIFPVBQESA-N CH$LINK: COMPTOX DTXSID70904723 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO004055.txt b/Keio_Univ/MSBNK-Keio_Univ-KO004055.txt index ec9bd1f66d6..b6c63c0ac37 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO004055.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO004055.txt @@ -14,7 +14,7 @@ CH$IUPAC: InChI=1S/C9H13NO2/c1-10-6-9(12)7-2-4-8(11)5-3-7/h2-5,9-12H,6H2,1H3/t9- CH$LINK: CAS 614-35-7 CH$LINK: CHEBI CHEBI:119 CH$LINK: KEGG C01869 -CH$LINK: PUBCHEM SID:4983 +CH$LINK: PUBCHEM CID:854067 CH$LINK: INCHIKEY YRCWQPVGYLYSOX-VIFPVBQESA-N CH$LINK: COMPTOX DTXSID70904723 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO004056.txt b/Keio_Univ/MSBNK-Keio_Univ-KO004056.txt index 8091954a13c..91905c6662c 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO004056.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO004056.txt @@ -14,7 +14,7 @@ CH$IUPAC: InChI=1S/C9H13NO2/c1-10-6-9(12)7-2-4-8(11)5-3-7/h2-5,9-12H,6H2,1H3/t9- CH$LINK: CAS 614-35-7 CH$LINK: CHEBI CHEBI:119 CH$LINK: KEGG C01869 -CH$LINK: PUBCHEM SID:4983 +CH$LINK: PUBCHEM CID:854067 CH$LINK: INCHIKEY YRCWQPVGYLYSOX-VIFPVBQESA-N CH$LINK: COMPTOX DTXSID70904723 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO004057.txt b/Keio_Univ/MSBNK-Keio_Univ-KO004057.txt index 1e85ce5a506..0b6e40342eb 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO004057.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO004057.txt @@ -13,7 +13,7 @@ CH$IUPAC: InChI=1S/C9H9N3O2S2/c10-7-1-3-8(4-2-7)16(13,14)12-9-11-5-6-15-9/h1-6H, CH$LINK: CAS 72-14-0 CH$LINK: KEGG C11169 CH$LINK: NIKKAJI J1.425G -CH$LINK: PUBCHEM SID:13351 +CH$LINK: PUBCHEM CID:5340 CH$LINK: INCHIKEY JNMRHUJNCSQMMB-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID8026068 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO004058.txt b/Keio_Univ/MSBNK-Keio_Univ-KO004058.txt index deaad1cf4ab..093478a9bd4 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO004058.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO004058.txt @@ -13,7 +13,7 @@ CH$IUPAC: InChI=1S/C9H9N3O2S2/c10-7-1-3-8(4-2-7)16(13,14)12-9-11-5-6-15-9/h1-6H, CH$LINK: CAS 72-14-0 CH$LINK: KEGG C11169 CH$LINK: NIKKAJI J1.425G -CH$LINK: PUBCHEM SID:13351 +CH$LINK: PUBCHEM CID:5340 CH$LINK: INCHIKEY JNMRHUJNCSQMMB-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID8026068 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO004059.txt b/Keio_Univ/MSBNK-Keio_Univ-KO004059.txt index 44d04fa0884..c19c949f04b 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO004059.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO004059.txt @@ -13,7 +13,7 @@ CH$IUPAC: InChI=1S/C9H9N3O2S2/c10-7-1-3-8(4-2-7)16(13,14)12-9-11-5-6-15-9/h1-6H, CH$LINK: CAS 72-14-0 CH$LINK: KEGG C11169 CH$LINK: NIKKAJI J1.425G -CH$LINK: PUBCHEM SID:13351 +CH$LINK: PUBCHEM CID:5340 CH$LINK: INCHIKEY JNMRHUJNCSQMMB-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID8026068 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO004060.txt b/Keio_Univ/MSBNK-Keio_Univ-KO004060.txt index 541984a1d38..05c56672565 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO004060.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO004060.txt @@ -13,7 +13,7 @@ CH$IUPAC: InChI=1S/C9H9N3O2S2/c10-7-1-3-8(4-2-7)16(13,14)12-9-11-5-6-15-9/h1-6H, CH$LINK: CAS 72-14-0 CH$LINK: KEGG C11169 CH$LINK: NIKKAJI J1.425G -CH$LINK: PUBCHEM SID:13351 +CH$LINK: PUBCHEM CID:5340 CH$LINK: INCHIKEY JNMRHUJNCSQMMB-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID8026068 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO004061.txt b/Keio_Univ/MSBNK-Keio_Univ-KO004061.txt index 52d007b9081..01ac2363645 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO004061.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO004061.txt @@ -13,7 +13,7 @@ CH$IUPAC: InChI=1S/C9H9N3O2S2/c10-7-1-3-8(4-2-7)16(13,14)12-9-11-5-6-15-9/h1-6H, CH$LINK: CAS 72-14-0 CH$LINK: KEGG C11169 CH$LINK: NIKKAJI J1.425G -CH$LINK: PUBCHEM SID:13351 +CH$LINK: PUBCHEM CID:5340 CH$LINK: INCHIKEY JNMRHUJNCSQMMB-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID8026068 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO004067.txt b/Keio_Univ/MSBNK-Keio_Univ-KO004067.txt index 651b40084c6..71f2496f816 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO004067.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO004067.txt @@ -18,7 +18,7 @@ CH$LINK: CHEBI CHEBI:17895 CH$LINK: CHEMPDB TYR CH$LINK: KEGG C00082 CH$LINK: NIKKAJI J9.173A -CH$LINK: PUBCHEM SID:3382 +CH$LINK: PUBCHEM CID:6057 CH$LINK: INCHIKEY OUYCCCASQSFEME-QMMMGPOBSA-N CH$LINK: COMPTOX DTXSID1023730 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO004068.txt b/Keio_Univ/MSBNK-Keio_Univ-KO004068.txt index 44acfba3030..191c461df56 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO004068.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO004068.txt @@ -18,7 +18,7 @@ CH$LINK: CHEBI CHEBI:17895 CH$LINK: CHEMPDB TYR CH$LINK: KEGG C00082 CH$LINK: NIKKAJI J9.173A -CH$LINK: PUBCHEM SID:3382 +CH$LINK: PUBCHEM CID:6057 CH$LINK: INCHIKEY OUYCCCASQSFEME-QMMMGPOBSA-N CH$LINK: COMPTOX DTXSID1023730 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO004069.txt b/Keio_Univ/MSBNK-Keio_Univ-KO004069.txt index 1657ebdd78e..9e6ab3ebd37 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO004069.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO004069.txt @@ -18,7 +18,7 @@ CH$LINK: CHEBI CHEBI:17895 CH$LINK: CHEMPDB TYR CH$LINK: KEGG C00082 CH$LINK: NIKKAJI J9.173A -CH$LINK: PUBCHEM SID:3382 +CH$LINK: PUBCHEM CID:6057 CH$LINK: INCHIKEY OUYCCCASQSFEME-QMMMGPOBSA-N CH$LINK: COMPTOX DTXSID1023730 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO004070.txt b/Keio_Univ/MSBNK-Keio_Univ-KO004070.txt index d4fbcf481cc..788daddbd5c 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO004070.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO004070.txt @@ -18,7 +18,7 @@ CH$LINK: CHEBI CHEBI:17895 CH$LINK: CHEMPDB TYR CH$LINK: KEGG C00082 CH$LINK: NIKKAJI J9.173A -CH$LINK: PUBCHEM SID:3382 +CH$LINK: PUBCHEM CID:6057 CH$LINK: INCHIKEY OUYCCCASQSFEME-QMMMGPOBSA-N CH$LINK: COMPTOX DTXSID1023730 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO004071.txt b/Keio_Univ/MSBNK-Keio_Univ-KO004071.txt index e9690d3fc72..5b6c78140fd 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO004071.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO004071.txt @@ -18,7 +18,7 @@ CH$LINK: CHEBI CHEBI:17895 CH$LINK: CHEMPDB TYR CH$LINK: KEGG C00082 CH$LINK: NIKKAJI J9.173A -CH$LINK: PUBCHEM SID:3382 +CH$LINK: PUBCHEM CID:6057 CH$LINK: INCHIKEY OUYCCCASQSFEME-QMMMGPOBSA-N CH$LINK: COMPTOX DTXSID1023730 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO004077.txt b/Keio_Univ/MSBNK-Keio_Univ-KO004077.txt index 2cd325507b7..d8024b9f88c 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO004077.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO004077.txt @@ -17,7 +17,7 @@ CH$LINK: CHEBI CHEBI:15891 CH$LINK: CHEMPDB TAU CH$LINK: KEGG C00245 CH$LINK: NIKKAJI J5.056C -CH$LINK: PUBCHEM SID:3544 +CH$LINK: PUBCHEM CID:1123 CH$LINK: INCHIKEY XOAAWQZATWQOTB-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID3021304 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO004078.txt b/Keio_Univ/MSBNK-Keio_Univ-KO004078.txt index 7769653fe45..e7780a5cbf2 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO004078.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO004078.txt @@ -17,7 +17,7 @@ CH$LINK: CHEBI CHEBI:15891 CH$LINK: CHEMPDB TAU CH$LINK: KEGG C00245 CH$LINK: NIKKAJI J5.056C -CH$LINK: PUBCHEM SID:3544 +CH$LINK: PUBCHEM CID:1123 CH$LINK: INCHIKEY XOAAWQZATWQOTB-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID3021304 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO004079.txt b/Keio_Univ/MSBNK-Keio_Univ-KO004079.txt index 14c5d809357..4f78abc63eb 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO004079.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO004079.txt @@ -17,7 +17,7 @@ CH$LINK: CHEBI CHEBI:15891 CH$LINK: CHEMPDB TAU CH$LINK: KEGG C00245 CH$LINK: NIKKAJI J5.056C -CH$LINK: PUBCHEM SID:3544 +CH$LINK: PUBCHEM CID:1123 CH$LINK: INCHIKEY XOAAWQZATWQOTB-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID3021304 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO004080.txt b/Keio_Univ/MSBNK-Keio_Univ-KO004080.txt index 4c80a6e6b2f..3cac2e70f73 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO004080.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO004080.txt @@ -17,7 +17,7 @@ CH$LINK: CHEBI CHEBI:15891 CH$LINK: CHEMPDB TAU CH$LINK: KEGG C00245 CH$LINK: NIKKAJI J5.056C -CH$LINK: PUBCHEM SID:3544 +CH$LINK: PUBCHEM CID:1123 CH$LINK: INCHIKEY XOAAWQZATWQOTB-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID3021304 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO004081.txt b/Keio_Univ/MSBNK-Keio_Univ-KO004081.txt index fe8d5707a36..e6449c55484 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO004081.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO004081.txt @@ -17,7 +17,7 @@ CH$LINK: CHEBI CHEBI:15891 CH$LINK: CHEMPDB TAU CH$LINK: KEGG C00245 CH$LINK: NIKKAJI J5.056C -CH$LINK: PUBCHEM SID:3544 +CH$LINK: PUBCHEM CID:1123 CH$LINK: INCHIKEY XOAAWQZATWQOTB-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID3021304 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO004082.txt b/Keio_Univ/MSBNK-Keio_Univ-KO004082.txt index 74779ae8202..6c0bb582044 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO004082.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO004082.txt @@ -15,7 +15,7 @@ CH$LINK: CAS 51-67-2 CH$LINK: CHEBI CHEBI:15760 CH$LINK: KEGG C00483 CH$LINK: NIKKAJI J4.123H -CH$LINK: PUBCHEM SID:3766 +CH$LINK: PUBCHEM CID:5610 CH$LINK: INCHIKEY DZGWFCGJZKJUFP-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID2043874 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO004083.txt b/Keio_Univ/MSBNK-Keio_Univ-KO004083.txt index 35a18a4ecf3..b29297f306a 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO004083.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO004083.txt @@ -15,7 +15,7 @@ CH$LINK: CAS 51-67-2 CH$LINK: CHEBI CHEBI:15760 CH$LINK: KEGG C00483 CH$LINK: NIKKAJI J4.123H -CH$LINK: PUBCHEM SID:3766 +CH$LINK: PUBCHEM CID:5610 CH$LINK: INCHIKEY DZGWFCGJZKJUFP-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID2043874 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO004084.txt b/Keio_Univ/MSBNK-Keio_Univ-KO004084.txt index 55e6e86ac1e..52aa3bc6faf 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO004084.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO004084.txt @@ -15,7 +15,7 @@ CH$LINK: CAS 51-67-2 CH$LINK: CHEBI CHEBI:15760 CH$LINK: KEGG C00483 CH$LINK: NIKKAJI J4.123H -CH$LINK: PUBCHEM SID:3766 +CH$LINK: PUBCHEM CID:5610 CH$LINK: INCHIKEY DZGWFCGJZKJUFP-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID2043874 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO004085.txt b/Keio_Univ/MSBNK-Keio_Univ-KO004085.txt index f16ec7acf63..e6149a12d12 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO004085.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO004085.txt @@ -15,7 +15,7 @@ CH$LINK: CAS 51-67-2 CH$LINK: CHEBI CHEBI:15760 CH$LINK: KEGG C00483 CH$LINK: NIKKAJI J4.123H -CH$LINK: PUBCHEM SID:3766 +CH$LINK: PUBCHEM CID:5610 CH$LINK: INCHIKEY DZGWFCGJZKJUFP-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID2043874 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO004086.txt b/Keio_Univ/MSBNK-Keio_Univ-KO004086.txt index badeae7fb20..59b33aac090 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO004086.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO004086.txt @@ -15,7 +15,7 @@ CH$LINK: CAS 51-67-2 CH$LINK: CHEBI CHEBI:15760 CH$LINK: KEGG C00483 CH$LINK: NIKKAJI J4.123H -CH$LINK: PUBCHEM SID:3766 +CH$LINK: PUBCHEM CID:5610 CH$LINK: INCHIKEY DZGWFCGJZKJUFP-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID2043874 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO004092.txt b/Keio_Univ/MSBNK-Keio_Univ-KO004092.txt index c5063937139..dbb274458a7 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO004092.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO004092.txt @@ -15,7 +15,7 @@ CH$LINK: CAS 50-89-5 CH$LINK: CHEBI CHEBI:17748 CH$LINK: KEGG C00214 CH$LINK: NIKKAJI J4.548I -CH$LINK: PUBCHEM SID:3514 +CH$LINK: PUBCHEM CID:5789 CH$LINK: INCHIKEY IQFYYKKMVGJFEH-XLPZGREQSA-N CH$LINK: COMPTOX DTXSID5023661 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO004093.txt b/Keio_Univ/MSBNK-Keio_Univ-KO004093.txt index ba37fbc0e9e..e73a7cc4aa6 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO004093.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO004093.txt @@ -15,7 +15,7 @@ CH$LINK: CAS 50-89-5 CH$LINK: CHEBI CHEBI:17748 CH$LINK: KEGG C00214 CH$LINK: NIKKAJI J4.548I -CH$LINK: PUBCHEM SID:3514 +CH$LINK: PUBCHEM CID:5789 CH$LINK: INCHIKEY IQFYYKKMVGJFEH-XLPZGREQSA-N CH$LINK: COMPTOX DTXSID5023661 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO004094.txt b/Keio_Univ/MSBNK-Keio_Univ-KO004094.txt index 5d056d0d652..41cc3c6bab0 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO004094.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO004094.txt @@ -15,7 +15,7 @@ CH$LINK: CAS 50-89-5 CH$LINK: CHEBI CHEBI:17748 CH$LINK: KEGG C00214 CH$LINK: NIKKAJI J4.548I -CH$LINK: PUBCHEM SID:3514 +CH$LINK: PUBCHEM CID:5789 CH$LINK: INCHIKEY IQFYYKKMVGJFEH-XLPZGREQSA-N CH$LINK: COMPTOX DTXSID5023661 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO004095.txt b/Keio_Univ/MSBNK-Keio_Univ-KO004095.txt index 553216e5898..32f993f83bf 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO004095.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO004095.txt @@ -15,7 +15,7 @@ CH$LINK: CAS 50-89-5 CH$LINK: CHEBI CHEBI:17748 CH$LINK: KEGG C00214 CH$LINK: NIKKAJI J4.548I -CH$LINK: PUBCHEM SID:3514 +CH$LINK: PUBCHEM CID:5789 CH$LINK: INCHIKEY IQFYYKKMVGJFEH-XLPZGREQSA-N CH$LINK: COMPTOX DTXSID5023661 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO004096.txt b/Keio_Univ/MSBNK-Keio_Univ-KO004096.txt index 9ec894da151..a16d56b0635 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO004096.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO004096.txt @@ -15,7 +15,7 @@ CH$LINK: CAS 50-89-5 CH$LINK: CHEBI CHEBI:17748 CH$LINK: KEGG C00214 CH$LINK: NIKKAJI J4.548I -CH$LINK: PUBCHEM SID:3514 +CH$LINK: PUBCHEM CID:5789 CH$LINK: INCHIKEY IQFYYKKMVGJFEH-XLPZGREQSA-N CH$LINK: COMPTOX DTXSID5023661 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO004097.txt b/Keio_Univ/MSBNK-Keio_Univ-KO004097.txt index 3887734e3d6..ae33437bcb2 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO004097.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO004097.txt @@ -15,7 +15,7 @@ CH$LINK: CHEBI CHEBI:17821 CH$LINK: CHEMPDB TDR CH$LINK: KEGG C00178 CH$LINK: NIKKAJI J2.357D -CH$LINK: PUBCHEM SID:3478 +CH$LINK: PUBCHEM CID:1135 CH$LINK: INCHIKEY RWQNBRDOKXIBIV-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID4052342 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO004098.txt b/Keio_Univ/MSBNK-Keio_Univ-KO004098.txt index 8946dc7b3cb..ec17f82c831 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO004098.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO004098.txt @@ -15,7 +15,7 @@ CH$LINK: CHEBI CHEBI:17821 CH$LINK: CHEMPDB TDR CH$LINK: KEGG C00178 CH$LINK: NIKKAJI J2.357D -CH$LINK: PUBCHEM SID:3478 +CH$LINK: PUBCHEM CID:1135 CH$LINK: INCHIKEY RWQNBRDOKXIBIV-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID4052342 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO004099.txt b/Keio_Univ/MSBNK-Keio_Univ-KO004099.txt index 90ed4b5d1e7..bc56a268ffb 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO004099.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO004099.txt @@ -15,7 +15,7 @@ CH$LINK: CHEBI CHEBI:17821 CH$LINK: CHEMPDB TDR CH$LINK: KEGG C00178 CH$LINK: NIKKAJI J2.357D -CH$LINK: PUBCHEM SID:3478 +CH$LINK: PUBCHEM CID:1135 CH$LINK: INCHIKEY RWQNBRDOKXIBIV-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID4052342 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO004100.txt b/Keio_Univ/MSBNK-Keio_Univ-KO004100.txt index 64362492b1e..8b857d05c5b 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO004100.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO004100.txt @@ -15,7 +15,7 @@ CH$LINK: CHEBI CHEBI:17821 CH$LINK: CHEMPDB TDR CH$LINK: KEGG C00178 CH$LINK: NIKKAJI J2.357D -CH$LINK: PUBCHEM SID:3478 +CH$LINK: PUBCHEM CID:1135 CH$LINK: INCHIKEY RWQNBRDOKXIBIV-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID4052342 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO004101.txt b/Keio_Univ/MSBNK-Keio_Univ-KO004101.txt index 307c5c8ea4a..1bc75da62d0 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO004101.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO004101.txt @@ -15,7 +15,7 @@ CH$LINK: CHEBI CHEBI:17821 CH$LINK: CHEMPDB TDR CH$LINK: KEGG C00178 CH$LINK: NIKKAJI J2.357D -CH$LINK: PUBCHEM SID:3478 +CH$LINK: PUBCHEM CID:1135 CH$LINK: INCHIKEY RWQNBRDOKXIBIV-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID4052342 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO004107.txt b/Keio_Univ/MSBNK-Keio_Univ-KO004107.txt index 65988498f97..52d7e40f007 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO004107.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO004107.txt @@ -16,7 +16,7 @@ CH$LINK: CHEBI CHEBI:9705 CH$LINK: CHEMPDB 104 CH$LINK: KEGG C07166 CH$LINK: NIKKAJI J5.120I -CH$LINK: PUBCHEM SID:9375 +CH$LINK: PUBCHEM CID:5565 CH$LINK: INCHIKEY VILCJCGEZXAXTO-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID9023702 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO004108.txt b/Keio_Univ/MSBNK-Keio_Univ-KO004108.txt index 7e841ecbca7..1c792870a6c 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO004108.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO004108.txt @@ -16,7 +16,7 @@ CH$LINK: CHEBI CHEBI:9705 CH$LINK: CHEMPDB 104 CH$LINK: KEGG C07166 CH$LINK: NIKKAJI J5.120I -CH$LINK: PUBCHEM SID:9375 +CH$LINK: PUBCHEM CID:5565 CH$LINK: INCHIKEY VILCJCGEZXAXTO-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID9023702 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO004109.txt b/Keio_Univ/MSBNK-Keio_Univ-KO004109.txt index 22f2177e42c..c447ac4f5af 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO004109.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO004109.txt @@ -16,7 +16,7 @@ CH$LINK: CHEBI CHEBI:9705 CH$LINK: CHEMPDB 104 CH$LINK: KEGG C07166 CH$LINK: NIKKAJI J5.120I -CH$LINK: PUBCHEM SID:9375 +CH$LINK: PUBCHEM CID:5565 CH$LINK: INCHIKEY VILCJCGEZXAXTO-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID9023702 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO004110.txt b/Keio_Univ/MSBNK-Keio_Univ-KO004110.txt index 971e5e46f8b..04d911a2b41 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO004110.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO004110.txt @@ -16,7 +16,7 @@ CH$LINK: CHEBI CHEBI:9705 CH$LINK: CHEMPDB 104 CH$LINK: KEGG C07166 CH$LINK: NIKKAJI J5.120I -CH$LINK: PUBCHEM SID:9375 +CH$LINK: PUBCHEM CID:5565 CH$LINK: INCHIKEY VILCJCGEZXAXTO-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID9023702 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO004111.txt b/Keio_Univ/MSBNK-Keio_Univ-KO004111.txt index 426b83e4d67..af69d0e19ca 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO004111.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO004111.txt @@ -16,7 +16,7 @@ CH$LINK: CHEBI CHEBI:9705 CH$LINK: CHEMPDB 104 CH$LINK: KEGG C07166 CH$LINK: NIKKAJI J5.120I -CH$LINK: PUBCHEM SID:9375 +CH$LINK: PUBCHEM CID:5565 CH$LINK: INCHIKEY VILCJCGEZXAXTO-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID9023702 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO004112.txt b/Keio_Univ/MSBNK-Keio_Univ-KO004112.txt index 2786d744bf1..102dcbafb7e 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO004112.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO004112.txt @@ -15,7 +15,7 @@ CH$LINK: CAS 102-71-6 CH$LINK: CHEBI CHEBI:28621 CH$LINK: KEGG C06771 CH$LINK: NIKKAJI J805B -CH$LINK: PUBCHEM SID:8991 +CH$LINK: PUBCHEM CID:7618 CH$LINK: INCHIKEY GSEJCLTVZPLZKY-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID9021392 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO004113.txt b/Keio_Univ/MSBNK-Keio_Univ-KO004113.txt index 1bfffe7c9e5..0004893c73e 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO004113.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO004113.txt @@ -15,7 +15,7 @@ CH$LINK: CAS 102-71-6 CH$LINK: CHEBI CHEBI:28621 CH$LINK: KEGG C06771 CH$LINK: NIKKAJI J805B -CH$LINK: PUBCHEM SID:8991 +CH$LINK: PUBCHEM CID:7618 CH$LINK: INCHIKEY GSEJCLTVZPLZKY-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID9021392 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO004114.txt b/Keio_Univ/MSBNK-Keio_Univ-KO004114.txt index 650018d8b9a..37091ea2a83 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO004114.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO004114.txt @@ -15,7 +15,7 @@ CH$LINK: CAS 102-71-6 CH$LINK: CHEBI CHEBI:28621 CH$LINK: KEGG C06771 CH$LINK: NIKKAJI J805B -CH$LINK: PUBCHEM SID:8991 +CH$LINK: PUBCHEM CID:7618 CH$LINK: INCHIKEY GSEJCLTVZPLZKY-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID9021392 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO004115.txt b/Keio_Univ/MSBNK-Keio_Univ-KO004115.txt index 426e01495f8..a546197477d 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO004115.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO004115.txt @@ -15,7 +15,7 @@ CH$LINK: CAS 102-71-6 CH$LINK: CHEBI CHEBI:28621 CH$LINK: KEGG C06771 CH$LINK: NIKKAJI J805B -CH$LINK: PUBCHEM SID:8991 +CH$LINK: PUBCHEM CID:7618 CH$LINK: INCHIKEY GSEJCLTVZPLZKY-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID9021392 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO004116.txt b/Keio_Univ/MSBNK-Keio_Univ-KO004116.txt index 63d9e3f2016..3a0f92fbac3 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO004116.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO004116.txt @@ -15,7 +15,7 @@ CH$LINK: CAS 102-71-6 CH$LINK: CHEBI CHEBI:28621 CH$LINK: KEGG C06771 CH$LINK: NIKKAJI J805B -CH$LINK: PUBCHEM SID:8991 +CH$LINK: PUBCHEM CID:7618 CH$LINK: INCHIKEY GSEJCLTVZPLZKY-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID9021392 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO004122.txt b/Keio_Univ/MSBNK-Keio_Univ-KO004122.txt index 14c18c3854a..2d824bd2270 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO004122.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO004122.txt @@ -14,7 +14,7 @@ CH$LINK: CAS 83-67-0 CH$LINK: CHEBI CHEBI:28946 CH$LINK: KEGG C07480 CH$LINK: NIKKAJI J3.874A -CH$LINK: PUBCHEM SID:9683 +CH$LINK: PUBCHEM CID:5429 CH$LINK: INCHIKEY YAPQBXQYLJRXSA-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID9026132 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO004123.txt b/Keio_Univ/MSBNK-Keio_Univ-KO004123.txt index 120df6a7d06..4705e60a805 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO004123.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO004123.txt @@ -14,7 +14,7 @@ CH$LINK: CAS 83-67-0 CH$LINK: CHEBI CHEBI:28946 CH$LINK: KEGG C07480 CH$LINK: NIKKAJI J3.874A -CH$LINK: PUBCHEM SID:9683 +CH$LINK: PUBCHEM CID:5429 CH$LINK: INCHIKEY YAPQBXQYLJRXSA-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID9026132 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO004124.txt b/Keio_Univ/MSBNK-Keio_Univ-KO004124.txt index 22a20116453..f65c0a6a8ec 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO004124.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO004124.txt @@ -14,7 +14,7 @@ CH$LINK: CAS 83-67-0 CH$LINK: CHEBI CHEBI:28946 CH$LINK: KEGG C07480 CH$LINK: NIKKAJI J3.874A -CH$LINK: PUBCHEM SID:9683 +CH$LINK: PUBCHEM CID:5429 CH$LINK: INCHIKEY YAPQBXQYLJRXSA-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID9026132 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO004125.txt b/Keio_Univ/MSBNK-Keio_Univ-KO004125.txt index 945425b356c..498b40c62c6 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO004125.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO004125.txt @@ -14,7 +14,7 @@ CH$LINK: CAS 83-67-0 CH$LINK: CHEBI CHEBI:28946 CH$LINK: KEGG C07480 CH$LINK: NIKKAJI J3.874A -CH$LINK: PUBCHEM SID:9683 +CH$LINK: PUBCHEM CID:5429 CH$LINK: INCHIKEY YAPQBXQYLJRXSA-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID9026132 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO004126.txt b/Keio_Univ/MSBNK-Keio_Univ-KO004126.txt index e11082fc300..a19d7ce30ce 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO004126.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO004126.txt @@ -14,7 +14,7 @@ CH$LINK: CAS 83-67-0 CH$LINK: CHEBI CHEBI:28946 CH$LINK: KEGG C07480 CH$LINK: NIKKAJI J3.874A -CH$LINK: PUBCHEM SID:9683 +CH$LINK: PUBCHEM CID:5429 CH$LINK: INCHIKEY YAPQBXQYLJRXSA-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID9026132 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO004132.txt b/Keio_Univ/MSBNK-Keio_Univ-KO004132.txt index b2de6dc094a..de5b01aa31d 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO004132.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO004132.txt @@ -16,7 +16,7 @@ CH$LINK: CHEBI CHEBI:28177 CH$LINK: CHEMPDB TEP CH$LINK: KEGG C07130 CH$LINK: NIKKAJI J2.333G -CH$LINK: PUBCHEM SID:9340 +CH$LINK: PUBCHEM CID:2153 CH$LINK: INCHIKEY ZFXYFBGIUFBOJW-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID5021336 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO004133.txt b/Keio_Univ/MSBNK-Keio_Univ-KO004133.txt index 114ca7cf917..6a6b20f0860 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO004133.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO004133.txt @@ -16,7 +16,7 @@ CH$LINK: CHEBI CHEBI:28177 CH$LINK: CHEMPDB TEP CH$LINK: KEGG C07130 CH$LINK: NIKKAJI J2.333G -CH$LINK: PUBCHEM SID:9340 +CH$LINK: PUBCHEM CID:2153 CH$LINK: INCHIKEY ZFXYFBGIUFBOJW-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID5021336 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO004134.txt b/Keio_Univ/MSBNK-Keio_Univ-KO004134.txt index a525618d819..717678d8a80 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO004134.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO004134.txt @@ -16,7 +16,7 @@ CH$LINK: CHEBI CHEBI:28177 CH$LINK: CHEMPDB TEP CH$LINK: KEGG C07130 CH$LINK: NIKKAJI J2.333G -CH$LINK: PUBCHEM SID:9340 +CH$LINK: PUBCHEM CID:2153 CH$LINK: INCHIKEY ZFXYFBGIUFBOJW-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID5021336 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO004135.txt b/Keio_Univ/MSBNK-Keio_Univ-KO004135.txt index 6ea2ca9d884..03c2257d6f2 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO004135.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO004135.txt @@ -16,7 +16,7 @@ CH$LINK: CHEBI CHEBI:28177 CH$LINK: CHEMPDB TEP CH$LINK: KEGG C07130 CH$LINK: NIKKAJI J2.333G -CH$LINK: PUBCHEM SID:9340 +CH$LINK: PUBCHEM CID:2153 CH$LINK: INCHIKEY ZFXYFBGIUFBOJW-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID5021336 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO004136.txt b/Keio_Univ/MSBNK-Keio_Univ-KO004136.txt index 69417118b15..d76c3c1d61c 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO004136.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO004136.txt @@ -16,7 +16,7 @@ CH$LINK: CHEBI CHEBI:28177 CH$LINK: CHEMPDB TEP CH$LINK: KEGG C07130 CH$LINK: NIKKAJI J2.333G -CH$LINK: PUBCHEM SID:9340 +CH$LINK: PUBCHEM CID:2153 CH$LINK: INCHIKEY ZFXYFBGIUFBOJW-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID5021336 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO004142.txt b/Keio_Univ/MSBNK-Keio_Univ-KO004142.txt index 49e1f2bfe28..b850b3083f7 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO004142.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO004142.txt @@ -15,7 +15,7 @@ CH$LINK: CAS 61-54-1 CH$LINK: CHEBI CHEBI:16765 CH$LINK: KEGG C00398 CH$LINK: NIKKAJI J4.816J -CH$LINK: PUBCHEM SID:3688 +CH$LINK: PUBCHEM CID:1150 CH$LINK: INCHIKEY APJYDQYYACXCRM-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID2075340 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO004143.txt b/Keio_Univ/MSBNK-Keio_Univ-KO004143.txt index db7fd36469a..db37ef7c590 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO004143.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO004143.txt @@ -15,7 +15,7 @@ CH$LINK: CAS 61-54-1 CH$LINK: CHEBI CHEBI:16765 CH$LINK: KEGG C00398 CH$LINK: NIKKAJI J4.816J -CH$LINK: PUBCHEM SID:3688 +CH$LINK: PUBCHEM CID:1150 CH$LINK: INCHIKEY APJYDQYYACXCRM-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID2075340 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO004144.txt b/Keio_Univ/MSBNK-Keio_Univ-KO004144.txt index c30d99b632f..27666445869 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO004144.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO004144.txt @@ -15,7 +15,7 @@ CH$LINK: CAS 61-54-1 CH$LINK: CHEBI CHEBI:16765 CH$LINK: KEGG C00398 CH$LINK: NIKKAJI J4.816J -CH$LINK: PUBCHEM SID:3688 +CH$LINK: PUBCHEM CID:1150 CH$LINK: INCHIKEY APJYDQYYACXCRM-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID2075340 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO004145.txt b/Keio_Univ/MSBNK-Keio_Univ-KO004145.txt index ba2cf89d7e4..1a87113bafb 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO004145.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO004145.txt @@ -15,7 +15,7 @@ CH$LINK: CAS 61-54-1 CH$LINK: CHEBI CHEBI:16765 CH$LINK: KEGG C00398 CH$LINK: NIKKAJI J4.816J -CH$LINK: PUBCHEM SID:3688 +CH$LINK: PUBCHEM CID:1150 CH$LINK: INCHIKEY APJYDQYYACXCRM-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID2075340 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO004146.txt b/Keio_Univ/MSBNK-Keio_Univ-KO004146.txt index 3753da46cf3..2fd26d937a1 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO004146.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO004146.txt @@ -15,7 +15,7 @@ CH$LINK: CAS 61-54-1 CH$LINK: CHEBI CHEBI:16765 CH$LINK: KEGG C00398 CH$LINK: NIKKAJI J4.816J -CH$LINK: PUBCHEM SID:3688 +CH$LINK: PUBCHEM CID:1150 CH$LINK: INCHIKEY APJYDQYYACXCRM-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID2075340 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO004147.txt b/Keio_Univ/MSBNK-Keio_Univ-KO004147.txt index b685373dc7d..9c01610948c 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO004147.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO004147.txt @@ -15,7 +15,7 @@ CH$LINK: CAS 1080-06-4 CH$LINK: CHEBI CHEBI:17215 CH$LINK: KEGG C03404 CH$LINK: NIKKAJI J5.190J -CH$LINK: PUBCHEM SID:6233 +CH$LINK: PUBCHEM CID:70652 CH$LINK: INCHIKEY MWZPENIJLUWBSY-VIFPVBQESA-N CH$LINK: COMPTOX DTXSID40148354 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO004148.txt b/Keio_Univ/MSBNK-Keio_Univ-KO004148.txt index 4790e7563b1..d30a03502d6 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO004148.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO004148.txt @@ -15,7 +15,7 @@ CH$LINK: CAS 1080-06-4 CH$LINK: CHEBI CHEBI:17215 CH$LINK: KEGG C03404 CH$LINK: NIKKAJI J5.190J -CH$LINK: PUBCHEM SID:6233 +CH$LINK: PUBCHEM CID:70652 CH$LINK: INCHIKEY MWZPENIJLUWBSY-VIFPVBQESA-N CH$LINK: COMPTOX DTXSID40148354 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO004149.txt b/Keio_Univ/MSBNK-Keio_Univ-KO004149.txt index d3793042601..09cb3304858 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO004149.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO004149.txt @@ -15,7 +15,7 @@ CH$LINK: CAS 1080-06-4 CH$LINK: CHEBI CHEBI:17215 CH$LINK: KEGG C03404 CH$LINK: NIKKAJI J5.190J -CH$LINK: PUBCHEM SID:6233 +CH$LINK: PUBCHEM CID:70652 CH$LINK: INCHIKEY MWZPENIJLUWBSY-VIFPVBQESA-N CH$LINK: COMPTOX DTXSID40148354 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO004150.txt b/Keio_Univ/MSBNK-Keio_Univ-KO004150.txt index 8e6da957224..fa8e16841af 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO004150.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO004150.txt @@ -15,7 +15,7 @@ CH$LINK: CAS 1080-06-4 CH$LINK: CHEBI CHEBI:17215 CH$LINK: KEGG C03404 CH$LINK: NIKKAJI J5.190J -CH$LINK: PUBCHEM SID:6233 +CH$LINK: PUBCHEM CID:70652 CH$LINK: INCHIKEY MWZPENIJLUWBSY-VIFPVBQESA-N CH$LINK: COMPTOX DTXSID40148354 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO004151.txt b/Keio_Univ/MSBNK-Keio_Univ-KO004151.txt index d338d142c71..209ef6628e0 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO004151.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO004151.txt @@ -15,7 +15,7 @@ CH$LINK: CAS 1080-06-4 CH$LINK: CHEBI CHEBI:17215 CH$LINK: KEGG C03404 CH$LINK: NIKKAJI J5.190J -CH$LINK: PUBCHEM SID:6233 +CH$LINK: PUBCHEM CID:70652 CH$LINK: INCHIKEY MWZPENIJLUWBSY-VIFPVBQESA-N CH$LINK: COMPTOX DTXSID40148354 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO004152.txt b/Keio_Univ/MSBNK-Keio_Univ-KO004152.txt index 0ed837242d5..c9c538d24ca 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO004152.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO004152.txt @@ -13,7 +13,7 @@ CH$IUPAC: InChI=1S/C14H18N4O3/c1-19-10-5-8(6-11(20-2)12(10)21-3)4-9-7-17-14(16)1 CH$LINK: CAS 738-70-5 CH$LINK: KEGG C01965 CH$LINK: NIKKAJI J9.454D -CH$LINK: PUBCHEM SID:5066 +CH$LINK: PUBCHEM CID:5578 CH$LINK: INCHIKEY IEDVJHCEMCRBQM-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID3023712 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO004153.txt b/Keio_Univ/MSBNK-Keio_Univ-KO004153.txt index cc3835806bb..2107fe9aaa7 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO004153.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO004153.txt @@ -13,7 +13,7 @@ CH$IUPAC: InChI=1S/C14H18N4O3/c1-19-10-5-8(6-11(20-2)12(10)21-3)4-9-7-17-14(16)1 CH$LINK: CAS 738-70-5 CH$LINK: KEGG C01965 CH$LINK: NIKKAJI J9.454D -CH$LINK: PUBCHEM SID:5066 +CH$LINK: PUBCHEM CID:5578 CH$LINK: INCHIKEY IEDVJHCEMCRBQM-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID3023712 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO004154.txt b/Keio_Univ/MSBNK-Keio_Univ-KO004154.txt index 53ca9ac281b..a7615a1be3b 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO004154.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO004154.txt @@ -13,7 +13,7 @@ CH$IUPAC: InChI=1S/C14H18N4O3/c1-19-10-5-8(6-11(20-2)12(10)21-3)4-9-7-17-14(16)1 CH$LINK: CAS 738-70-5 CH$LINK: KEGG C01965 CH$LINK: NIKKAJI J9.454D -CH$LINK: PUBCHEM SID:5066 +CH$LINK: PUBCHEM CID:5578 CH$LINK: INCHIKEY IEDVJHCEMCRBQM-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID3023712 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO004155.txt b/Keio_Univ/MSBNK-Keio_Univ-KO004155.txt index 7eb26cd2c04..43df703f2b1 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO004155.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO004155.txt @@ -13,7 +13,7 @@ CH$IUPAC: InChI=1S/C14H18N4O3/c1-19-10-5-8(6-11(20-2)12(10)21-3)4-9-7-17-14(16)1 CH$LINK: CAS 738-70-5 CH$LINK: KEGG C01965 CH$LINK: NIKKAJI J9.454D -CH$LINK: PUBCHEM SID:5066 +CH$LINK: PUBCHEM CID:5578 CH$LINK: INCHIKEY IEDVJHCEMCRBQM-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID3023712 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO004156.txt b/Keio_Univ/MSBNK-Keio_Univ-KO004156.txt index 9ec56f51ca7..3154b44fd0d 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO004156.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO004156.txt @@ -13,7 +13,7 @@ CH$IUPAC: InChI=1S/C14H18N4O3/c1-19-10-5-8(6-11(20-2)12(10)21-3)4-9-7-17-14(16)1 CH$LINK: CAS 738-70-5 CH$LINK: KEGG C01965 CH$LINK: NIKKAJI J9.454D -CH$LINK: PUBCHEM SID:5066 +CH$LINK: PUBCHEM CID:5578 CH$LINK: INCHIKEY IEDVJHCEMCRBQM-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID3023712 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO004157.txt b/Keio_Univ/MSBNK-Keio_Univ-KO004157.txt index 6673f67de35..49e4e5b7923 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO004157.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO004157.txt @@ -21,7 +21,7 @@ CH$LINK: CHEBI CHEBI:18258 CH$LINK: CHEMPDB T3 CH$LINK: KEGG C02465 CH$LINK: NIKKAJI J85.948F -CH$LINK: PUBCHEM SID:5481 +CH$LINK: PUBCHEM CID:5920 CH$LINK: INCHIKEY AUYYCJSJGJYCDS-LBPRGKRZSA-N CH$LINK: COMPTOX DTXSID8023216 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO004158.txt b/Keio_Univ/MSBNK-Keio_Univ-KO004158.txt index adaed448d8f..1fbd36427d9 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO004158.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO004158.txt @@ -21,7 +21,7 @@ CH$LINK: CHEBI CHEBI:18258 CH$LINK: CHEMPDB T3 CH$LINK: KEGG C02465 CH$LINK: NIKKAJI J85.948F -CH$LINK: PUBCHEM SID:5481 +CH$LINK: PUBCHEM CID:5920 CH$LINK: INCHIKEY AUYYCJSJGJYCDS-LBPRGKRZSA-N CH$LINK: COMPTOX DTXSID8023216 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO004159.txt b/Keio_Univ/MSBNK-Keio_Univ-KO004159.txt index fd462b6d22c..1a06d08f478 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO004159.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO004159.txt @@ -21,7 +21,7 @@ CH$LINK: CHEBI CHEBI:18258 CH$LINK: CHEMPDB T3 CH$LINK: KEGG C02465 CH$LINK: NIKKAJI J85.948F -CH$LINK: PUBCHEM SID:5481 +CH$LINK: PUBCHEM CID:5920 CH$LINK: INCHIKEY AUYYCJSJGJYCDS-LBPRGKRZSA-N CH$LINK: COMPTOX DTXSID8023216 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO004160.txt b/Keio_Univ/MSBNK-Keio_Univ-KO004160.txt index 7d2c4ca9327..fd4a77bc17b 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO004160.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO004160.txt @@ -21,7 +21,7 @@ CH$LINK: CHEBI CHEBI:18258 CH$LINK: CHEMPDB T3 CH$LINK: KEGG C02465 CH$LINK: NIKKAJI J85.948F -CH$LINK: PUBCHEM SID:5481 +CH$LINK: PUBCHEM CID:5920 CH$LINK: INCHIKEY AUYYCJSJGJYCDS-LBPRGKRZSA-N CH$LINK: COMPTOX DTXSID8023216 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO004161.txt b/Keio_Univ/MSBNK-Keio_Univ-KO004161.txt index 4369d955fce..998c8f2baba 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO004161.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO004161.txt @@ -21,7 +21,7 @@ CH$LINK: CHEBI CHEBI:18258 CH$LINK: CHEMPDB T3 CH$LINK: KEGG C02465 CH$LINK: NIKKAJI J85.948F -CH$LINK: PUBCHEM SID:5481 +CH$LINK: PUBCHEM CID:5920 CH$LINK: INCHIKEY AUYYCJSJGJYCDS-LBPRGKRZSA-N CH$LINK: COMPTOX DTXSID8023216 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO004171.txt b/Keio_Univ/MSBNK-Keio_Univ-KO004171.txt index bddc8240661..c98711f2d42 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO004171.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO004171.txt @@ -13,7 +13,7 @@ CH$IUPAC: InChI=1S/C15H15NO3/c1-10-3-5-11(6-4-10)15(19)13-8-7-12(16(13)2)9-14(17 CH$LINK: CAS 26171-23-3 CH$LINK: KEGG C07149 CH$LINK: NIKKAJI J20.519B -CH$LINK: PUBCHEM SID:9358 +CH$LINK: PUBCHEM CID:5509 CH$LINK: INCHIKEY UPSPUYADGBWSHF-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID2043951 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO004172.txt b/Keio_Univ/MSBNK-Keio_Univ-KO004172.txt index ed032fa2209..e7ea47a22d1 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO004172.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO004172.txt @@ -13,7 +13,7 @@ CH$IUPAC: InChI=1S/C15H15NO3/c1-10-3-5-11(6-4-10)15(19)13-8-7-12(16(13)2)9-14(17 CH$LINK: CAS 26171-23-3 CH$LINK: KEGG C07149 CH$LINK: NIKKAJI J20.519B -CH$LINK: PUBCHEM SID:9358 +CH$LINK: PUBCHEM CID:5509 CH$LINK: INCHIKEY UPSPUYADGBWSHF-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID2043951 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO004173.txt b/Keio_Univ/MSBNK-Keio_Univ-KO004173.txt index 906ac05ff29..7ae087f8b3c 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO004173.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO004173.txt @@ -13,7 +13,7 @@ CH$IUPAC: InChI=1S/C15H15NO3/c1-10-3-5-11(6-4-10)15(19)13-8-7-12(16(13)2)9-14(17 CH$LINK: CAS 26171-23-3 CH$LINK: KEGG C07149 CH$LINK: NIKKAJI J20.519B -CH$LINK: PUBCHEM SID:9358 +CH$LINK: PUBCHEM CID:5509 CH$LINK: INCHIKEY UPSPUYADGBWSHF-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID2043951 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO004174.txt b/Keio_Univ/MSBNK-Keio_Univ-KO004174.txt index f874a9a1798..72df56c714f 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO004174.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO004174.txt @@ -13,7 +13,7 @@ CH$IUPAC: InChI=1S/C15H15NO3/c1-10-3-5-11(6-4-10)15(19)13-8-7-12(16(13)2)9-14(17 CH$LINK: CAS 26171-23-3 CH$LINK: KEGG C07149 CH$LINK: NIKKAJI J20.519B -CH$LINK: PUBCHEM SID:9358 +CH$LINK: PUBCHEM CID:5509 CH$LINK: INCHIKEY UPSPUYADGBWSHF-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID2043951 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO004175.txt b/Keio_Univ/MSBNK-Keio_Univ-KO004175.txt index f6a499478d4..776871a23f6 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO004175.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO004175.txt @@ -13,7 +13,7 @@ CH$IUPAC: InChI=1S/C15H15NO3/c1-10-3-5-11(6-4-10)15(19)13-8-7-12(16(13)2)9-14(17 CH$LINK: CAS 26171-23-3 CH$LINK: KEGG C07149 CH$LINK: NIKKAJI J20.519B -CH$LINK: PUBCHEM SID:9358 +CH$LINK: PUBCHEM CID:5509 CH$LINK: INCHIKEY UPSPUYADGBWSHF-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID2043951 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO004176.txt b/Keio_Univ/MSBNK-Keio_Univ-KO004176.txt index 89b5e16f6f2..518a6b58555 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO004176.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO004176.txt @@ -15,7 +15,7 @@ CH$LINK: CAS 1184-78-7 CH$LINK: CHEBI CHEBI:15724 CH$LINK: KEGG C01104 CH$LINK: NIKKAJI J7.304K -CH$LINK: PUBCHEM SID:4338 +CH$LINK: PUBCHEM CID:1145 CH$LINK: INCHIKEY UYPYRKYUKCHHIB-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID8049678 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO004177.txt b/Keio_Univ/MSBNK-Keio_Univ-KO004177.txt index 8a98a50f9cc..c216de7e3ae 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO004177.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO004177.txt @@ -15,7 +15,7 @@ CH$LINK: CAS 1184-78-7 CH$LINK: CHEBI CHEBI:15724 CH$LINK: KEGG C01104 CH$LINK: NIKKAJI J7.304K -CH$LINK: PUBCHEM SID:4338 +CH$LINK: PUBCHEM CID:1145 CH$LINK: INCHIKEY UYPYRKYUKCHHIB-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID8049678 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO004178.txt b/Keio_Univ/MSBNK-Keio_Univ-KO004178.txt index 6d8b1d5770f..e7fa8ff6d90 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO004178.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO004178.txt @@ -15,7 +15,7 @@ CH$LINK: CAS 1184-78-7 CH$LINK: CHEBI CHEBI:15724 CH$LINK: KEGG C01104 CH$LINK: NIKKAJI J7.304K -CH$LINK: PUBCHEM SID:4338 +CH$LINK: PUBCHEM CID:1145 CH$LINK: INCHIKEY UYPYRKYUKCHHIB-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID8049678 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO004179.txt b/Keio_Univ/MSBNK-Keio_Univ-KO004179.txt index dc61916d902..d26b8b6d76d 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO004179.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO004179.txt @@ -15,7 +15,7 @@ CH$LINK: CAS 1184-78-7 CH$LINK: CHEBI CHEBI:15724 CH$LINK: KEGG C01104 CH$LINK: NIKKAJI J7.304K -CH$LINK: PUBCHEM SID:4338 +CH$LINK: PUBCHEM CID:1145 CH$LINK: INCHIKEY UYPYRKYUKCHHIB-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID8049678 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO004180.txt b/Keio_Univ/MSBNK-Keio_Univ-KO004180.txt index c73395d8652..1485ce619d4 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO004180.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO004180.txt @@ -15,7 +15,7 @@ CH$LINK: CAS 1184-78-7 CH$LINK: CHEBI CHEBI:15724 CH$LINK: KEGG C01104 CH$LINK: NIKKAJI J7.304K -CH$LINK: PUBCHEM SID:4338 +CH$LINK: PUBCHEM CID:1145 CH$LINK: INCHIKEY UYPYRKYUKCHHIB-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID8049678 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO004181.txt b/Keio_Univ/MSBNK-Keio_Univ-KO004181.txt index 0c7d5b2aa6c..33220b17258 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO004181.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO004181.txt @@ -12,7 +12,7 @@ CH$EXACT_MASS: 203.10586 CH$SMILES: C1=CC=C2C(=C1)C(=CN2)C[C@@H](C(=O)N)N CH$IUPAC: InChI=1S/C11H13N3O/c12-9(11(13)15)5-7-6-14-10-4-2-1-3-8(7)10/h1-4,6,9,14H,5,12H2,(H2,13,15)/t9-/m0/s1 CH$LINK: KEGG C00977 -CH$LINK: PUBCHEM SID:4226 +CH$LINK: PUBCHEM CID:439356 CH$LINK: INCHIKEY JLSKPBDKNIXMBS-VIFPVBQESA-N AC$INSTRUMENT: API3000, Applied Biosystems AC$INSTRUMENT_TYPE: LC-ESI-QQ diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO004182.txt b/Keio_Univ/MSBNK-Keio_Univ-KO004182.txt index d3bb06d005a..a8de30a3edd 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO004182.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO004182.txt @@ -12,7 +12,7 @@ CH$EXACT_MASS: 203.10586 CH$SMILES: C1=CC=C2C(=C1)C(=CN2)C[C@@H](C(=O)N)N CH$IUPAC: InChI=1S/C11H13N3O/c12-9(11(13)15)5-7-6-14-10-4-2-1-3-8(7)10/h1-4,6,9,14H,5,12H2,(H2,13,15)/t9-/m0/s1 CH$LINK: KEGG C00977 -CH$LINK: PUBCHEM SID:4226 +CH$LINK: PUBCHEM CID:439356 CH$LINK: INCHIKEY JLSKPBDKNIXMBS-VIFPVBQESA-N AC$INSTRUMENT: API3000, Applied Biosystems AC$INSTRUMENT_TYPE: LC-ESI-QQ diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO004183.txt b/Keio_Univ/MSBNK-Keio_Univ-KO004183.txt index c40700a2b21..dda1cb298d9 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO004183.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO004183.txt @@ -12,7 +12,7 @@ CH$EXACT_MASS: 203.10586 CH$SMILES: C1=CC=C2C(=C1)C(=CN2)C[C@@H](C(=O)N)N CH$IUPAC: InChI=1S/C11H13N3O/c12-9(11(13)15)5-7-6-14-10-4-2-1-3-8(7)10/h1-4,6,9,14H,5,12H2,(H2,13,15)/t9-/m0/s1 CH$LINK: KEGG C00977 -CH$LINK: PUBCHEM SID:4226 +CH$LINK: PUBCHEM CID:439356 CH$LINK: INCHIKEY JLSKPBDKNIXMBS-VIFPVBQESA-N AC$INSTRUMENT: API3000, Applied Biosystems AC$INSTRUMENT_TYPE: LC-ESI-QQ diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO004184.txt b/Keio_Univ/MSBNK-Keio_Univ-KO004184.txt index 2e12496ac76..420b8cc24e3 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO004184.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO004184.txt @@ -12,7 +12,7 @@ CH$EXACT_MASS: 203.10586 CH$SMILES: C1=CC=C2C(=C1)C(=CN2)C[C@@H](C(=O)N)N CH$IUPAC: InChI=1S/C11H13N3O/c12-9(11(13)15)5-7-6-14-10-4-2-1-3-8(7)10/h1-4,6,9,14H,5,12H2,(H2,13,15)/t9-/m0/s1 CH$LINK: KEGG C00977 -CH$LINK: PUBCHEM SID:4226 +CH$LINK: PUBCHEM CID:439356 CH$LINK: INCHIKEY JLSKPBDKNIXMBS-VIFPVBQESA-N AC$INSTRUMENT: API3000, Applied Biosystems AC$INSTRUMENT_TYPE: LC-ESI-QQ diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO004185.txt b/Keio_Univ/MSBNK-Keio_Univ-KO004185.txt index 46bc121edd6..6aca7bdccf4 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO004185.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO004185.txt @@ -12,7 +12,7 @@ CH$EXACT_MASS: 203.10586 CH$SMILES: C1=CC=C2C(=C1)C(=CN2)C[C@@H](C(=O)N)N CH$IUPAC: InChI=1S/C11H13N3O/c12-9(11(13)15)5-7-6-14-10-4-2-1-3-8(7)10/h1-4,6,9,14H,5,12H2,(H2,13,15)/t9-/m0/s1 CH$LINK: KEGG C00977 -CH$LINK: PUBCHEM SID:4226 +CH$LINK: PUBCHEM CID:439356 CH$LINK: INCHIKEY JLSKPBDKNIXMBS-VIFPVBQESA-N AC$INSTRUMENT: API3000, Applied Biosystems AC$INSTRUMENT_TYPE: LC-ESI-QQ diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO004186.txt b/Keio_Univ/MSBNK-Keio_Univ-KO004186.txt index 4493cbb95a2..6035bb447fa 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO004186.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO004186.txt @@ -18,7 +18,7 @@ CH$LINK: CAS 59-43-8 CH$LINK: CHEBI CHEBI:18385 CH$LINK: KEGG C00378 CH$LINK: NIKKAJI J203.781E -CH$LINK: PUBCHEM SID:3668 +CH$LINK: PUBCHEM CID:1130 CH$LINK: INCHIKEY JZRWCGZRTZMZEH-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID50220251 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO004187.txt b/Keio_Univ/MSBNK-Keio_Univ-KO004187.txt index 3b39327eeee..bd328997adc 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO004187.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO004187.txt @@ -18,7 +18,7 @@ CH$LINK: CAS 59-43-8 CH$LINK: CHEBI CHEBI:18385 CH$LINK: KEGG C00378 CH$LINK: NIKKAJI J203.781E -CH$LINK: PUBCHEM SID:3668 +CH$LINK: PUBCHEM CID:1130 CH$LINK: INCHIKEY JZRWCGZRTZMZEH-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID50220251 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO004188.txt b/Keio_Univ/MSBNK-Keio_Univ-KO004188.txt index 0ddec4b2297..c1aaaa288d2 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO004188.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO004188.txt @@ -18,7 +18,7 @@ CH$LINK: CAS 59-43-8 CH$LINK: CHEBI CHEBI:18385 CH$LINK: KEGG C00378 CH$LINK: NIKKAJI J203.781E -CH$LINK: PUBCHEM SID:3668 +CH$LINK: PUBCHEM CID:1130 CH$LINK: INCHIKEY JZRWCGZRTZMZEH-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID50220251 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO004189.txt b/Keio_Univ/MSBNK-Keio_Univ-KO004189.txt index 04d54934a2d..ccf7844ba9b 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO004189.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO004189.txt @@ -18,7 +18,7 @@ CH$LINK: CAS 59-43-8 CH$LINK: CHEBI CHEBI:18385 CH$LINK: KEGG C00378 CH$LINK: NIKKAJI J203.781E -CH$LINK: PUBCHEM SID:3668 +CH$LINK: PUBCHEM CID:1130 CH$LINK: INCHIKEY JZRWCGZRTZMZEH-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID50220251 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO004190.txt b/Keio_Univ/MSBNK-Keio_Univ-KO004190.txt index b6998cdc807..ba5f00187c7 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO004190.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO004190.txt @@ -18,7 +18,7 @@ CH$LINK: CAS 59-43-8 CH$LINK: CHEBI CHEBI:18385 CH$LINK: KEGG C00378 CH$LINK: NIKKAJI J203.781E -CH$LINK: PUBCHEM SID:3668 +CH$LINK: PUBCHEM CID:1130 CH$LINK: INCHIKEY JZRWCGZRTZMZEH-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID50220251 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO004191.txt b/Keio_Univ/MSBNK-Keio_Univ-KO004191.txt index 0c9ea117c0b..948eee17829 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO004191.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO004191.txt @@ -18,7 +18,7 @@ CH$LINK: CAS 532-40-1 CH$LINK: CHEBI CHEBI:18338 CH$LINK: KEGG C01081 CH$LINK: NIKKAJI J244.613H -CH$LINK: PUBCHEM SID:4319 +CH$LINK: PUBCHEM CID:1131 CH$LINK: INCHIKEY HZSAJDVWZRBGIF-UHFFFAOYSA-O CH$LINK: COMPTOX DTXSID6048389 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO004192.txt b/Keio_Univ/MSBNK-Keio_Univ-KO004192.txt index 5c1bf43c168..6c2a345f572 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO004192.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO004192.txt @@ -18,7 +18,7 @@ CH$LINK: CAS 532-40-1 CH$LINK: CHEBI CHEBI:18338 CH$LINK: KEGG C01081 CH$LINK: NIKKAJI J244.613H -CH$LINK: PUBCHEM SID:4319 +CH$LINK: PUBCHEM CID:1131 CH$LINK: INCHIKEY HZSAJDVWZRBGIF-UHFFFAOYSA-O CH$LINK: COMPTOX DTXSID6048389 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO004193.txt b/Keio_Univ/MSBNK-Keio_Univ-KO004193.txt index 91ffd3016ed..f50b2e0561c 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO004193.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO004193.txt @@ -18,7 +18,7 @@ CH$LINK: CAS 532-40-1 CH$LINK: CHEBI CHEBI:18338 CH$LINK: KEGG C01081 CH$LINK: NIKKAJI J244.613H -CH$LINK: PUBCHEM SID:4319 +CH$LINK: PUBCHEM CID:1131 CH$LINK: INCHIKEY HZSAJDVWZRBGIF-UHFFFAOYSA-O CH$LINK: COMPTOX DTXSID6048389 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO004194.txt b/Keio_Univ/MSBNK-Keio_Univ-KO004194.txt index 3c4b1f72906..097a8344230 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO004194.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO004194.txt @@ -18,7 +18,7 @@ CH$LINK: CAS 532-40-1 CH$LINK: CHEBI CHEBI:18338 CH$LINK: KEGG C01081 CH$LINK: NIKKAJI J244.613H -CH$LINK: PUBCHEM SID:4319 +CH$LINK: PUBCHEM CID:1131 CH$LINK: INCHIKEY HZSAJDVWZRBGIF-UHFFFAOYSA-O CH$LINK: COMPTOX DTXSID6048389 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO004195.txt b/Keio_Univ/MSBNK-Keio_Univ-KO004195.txt index 5cc9e26ee93..4dc8ad285cd 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO004195.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO004195.txt @@ -18,7 +18,7 @@ CH$LINK: CAS 532-40-1 CH$LINK: CHEBI CHEBI:18338 CH$LINK: KEGG C01081 CH$LINK: NIKKAJI J244.613H -CH$LINK: PUBCHEM SID:4319 +CH$LINK: PUBCHEM CID:1131 CH$LINK: INCHIKEY HZSAJDVWZRBGIF-UHFFFAOYSA-O CH$LINK: COMPTOX DTXSID6048389 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO004196.txt b/Keio_Univ/MSBNK-Keio_Univ-KO004196.txt index d587bb7709d..93f1b3f69a6 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO004196.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO004196.txt @@ -14,7 +14,7 @@ CH$LINK: CAS 676-84-6 CH$LINK: CHEBI CHEBI:17434 CH$LINK: KEGG C01008 CH$LINK: NIKKAJI J257.549C -CH$LINK: PUBCHEM SID:4253 +CH$LINK: PUBCHEM CID:1147 CH$LINK: INCHIKEY NRZWQKGABZFFKE-UHFFFAOYSA-N AC$INSTRUMENT: API3000, Applied Biosystems AC$INSTRUMENT_TYPE: LC-ESI-QQ diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO004197.txt b/Keio_Univ/MSBNK-Keio_Univ-KO004197.txt index 0ba8095d463..75c5ad7c99e 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO004197.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO004197.txt @@ -14,7 +14,7 @@ CH$LINK: CAS 676-84-6 CH$LINK: CHEBI CHEBI:17434 CH$LINK: KEGG C01008 CH$LINK: NIKKAJI J257.549C -CH$LINK: PUBCHEM SID:4253 +CH$LINK: PUBCHEM CID:1147 CH$LINK: INCHIKEY NRZWQKGABZFFKE-UHFFFAOYSA-N AC$INSTRUMENT: API3000, Applied Biosystems AC$INSTRUMENT_TYPE: LC-ESI-QQ diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO004198.txt b/Keio_Univ/MSBNK-Keio_Univ-KO004198.txt index 0cffca8dd3c..5614c245fb4 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO004198.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO004198.txt @@ -14,7 +14,7 @@ CH$LINK: CAS 676-84-6 CH$LINK: CHEBI CHEBI:17434 CH$LINK: KEGG C01008 CH$LINK: NIKKAJI J257.549C -CH$LINK: PUBCHEM SID:4253 +CH$LINK: PUBCHEM CID:1147 CH$LINK: INCHIKEY NRZWQKGABZFFKE-UHFFFAOYSA-N AC$INSTRUMENT: API3000, Applied Biosystems AC$INSTRUMENT_TYPE: LC-ESI-QQ diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO004199.txt b/Keio_Univ/MSBNK-Keio_Univ-KO004199.txt index c821a6e4e45..435d85660ba 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO004199.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO004199.txt @@ -14,7 +14,7 @@ CH$LINK: CAS 676-84-6 CH$LINK: CHEBI CHEBI:17434 CH$LINK: KEGG C01008 CH$LINK: NIKKAJI J257.549C -CH$LINK: PUBCHEM SID:4253 +CH$LINK: PUBCHEM CID:1147 CH$LINK: INCHIKEY NRZWQKGABZFFKE-UHFFFAOYSA-N AC$INSTRUMENT: API3000, Applied Biosystems AC$INSTRUMENT_TYPE: LC-ESI-QQ diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO004200.txt b/Keio_Univ/MSBNK-Keio_Univ-KO004200.txt index ca6be9d4bf5..8b59d32334b 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO004200.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO004200.txt @@ -14,7 +14,7 @@ CH$LINK: CAS 676-84-6 CH$LINK: CHEBI CHEBI:17434 CH$LINK: KEGG C01008 CH$LINK: NIKKAJI J257.549C -CH$LINK: PUBCHEM SID:4253 +CH$LINK: PUBCHEM CID:1147 CH$LINK: INCHIKEY NRZWQKGABZFFKE-UHFFFAOYSA-N AC$INSTRUMENT: API3000, Applied Biosystems AC$INSTRUMENT_TYPE: LC-ESI-QQ diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO004201.txt b/Keio_Univ/MSBNK-Keio_Univ-KO004201.txt index be0238be269..4230af5897e 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO004201.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO004201.txt @@ -20,7 +20,7 @@ CH$LINK: CAS 535-83-1 CH$LINK: CHEBI CHEBI:18123 CH$LINK: KEGG C01004 CH$LINK: NIKKAJI J6.346K -CH$LINK: PUBCHEM SID:4250 +CH$LINK: PUBCHEM CID:5570 CH$LINK: INCHIKEY WWNNZCOKKKDOPX-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID2026230 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO004202.txt b/Keio_Univ/MSBNK-Keio_Univ-KO004202.txt index de6cd5dbc5f..651570e2389 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO004202.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO004202.txt @@ -20,7 +20,7 @@ CH$LINK: CAS 535-83-1 CH$LINK: CHEBI CHEBI:18123 CH$LINK: KEGG C01004 CH$LINK: NIKKAJI J6.346K -CH$LINK: PUBCHEM SID:4250 +CH$LINK: PUBCHEM CID:5570 CH$LINK: INCHIKEY WWNNZCOKKKDOPX-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID2026230 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO004203.txt b/Keio_Univ/MSBNK-Keio_Univ-KO004203.txt index 6918a2069cc..dc33e7178cf 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO004203.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO004203.txt @@ -20,7 +20,7 @@ CH$LINK: CAS 535-83-1 CH$LINK: CHEBI CHEBI:18123 CH$LINK: KEGG C01004 CH$LINK: NIKKAJI J6.346K -CH$LINK: PUBCHEM SID:4250 +CH$LINK: PUBCHEM CID:5570 CH$LINK: INCHIKEY WWNNZCOKKKDOPX-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID2026230 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO004204.txt b/Keio_Univ/MSBNK-Keio_Univ-KO004204.txt index d115d61da09..627c843fddd 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO004204.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO004204.txt @@ -20,7 +20,7 @@ CH$LINK: CAS 535-83-1 CH$LINK: CHEBI CHEBI:18123 CH$LINK: KEGG C01004 CH$LINK: NIKKAJI J6.346K -CH$LINK: PUBCHEM SID:4250 +CH$LINK: PUBCHEM CID:5570 CH$LINK: INCHIKEY WWNNZCOKKKDOPX-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID2026230 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO004205.txt b/Keio_Univ/MSBNK-Keio_Univ-KO004205.txt index 3fe5b153da9..0785f19b8f9 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO004205.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO004205.txt @@ -20,7 +20,7 @@ CH$LINK: CAS 535-83-1 CH$LINK: CHEBI CHEBI:18123 CH$LINK: KEGG C01004 CH$LINK: NIKKAJI J6.346K -CH$LINK: PUBCHEM SID:4250 +CH$LINK: PUBCHEM CID:5570 CH$LINK: INCHIKEY WWNNZCOKKKDOPX-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID2026230 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO004211.txt b/Keio_Univ/MSBNK-Keio_Univ-KO004211.txt index 2b27bcad803..565b5e66a79 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO004211.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO004211.txt @@ -14,7 +14,7 @@ CH$IUPAC: InChI=1S/C12H23O14P/c13-1-3-5(14)7(16)9(18)11(24-3)26-12-10(19)8(17)6( CH$LINK: CAS 4484-88-2 CH$LINK: CHEBI CHEBI:18283 CH$LINK: KEGG C00689 -CH$LINK: PUBCHEM SID:3958 +CH$LINK: PUBCHEM CID:122336 CH$LINK: INCHIKEY LABSPYBHMPDTEL-LIZSDCNHSA-N AC$INSTRUMENT: API3000, Applied Biosystems AC$INSTRUMENT_TYPE: LC-ESI-QQ diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO004212.txt b/Keio_Univ/MSBNK-Keio_Univ-KO004212.txt index 92d6ff821fe..b166bfda5d2 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO004212.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO004212.txt @@ -14,7 +14,7 @@ CH$IUPAC: InChI=1S/C12H23O14P/c13-1-3-5(14)7(16)9(18)11(24-3)26-12-10(19)8(17)6( CH$LINK: CAS 4484-88-2 CH$LINK: CHEBI CHEBI:18283 CH$LINK: KEGG C00689 -CH$LINK: PUBCHEM SID:3958 +CH$LINK: PUBCHEM CID:122336 CH$LINK: INCHIKEY LABSPYBHMPDTEL-LIZSDCNHSA-N AC$INSTRUMENT: API3000, Applied Biosystems AC$INSTRUMENT_TYPE: LC-ESI-QQ diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO004213.txt b/Keio_Univ/MSBNK-Keio_Univ-KO004213.txt index d8091456657..ac29a61f6d3 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO004213.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO004213.txt @@ -14,7 +14,7 @@ CH$IUPAC: InChI=1S/C12H23O14P/c13-1-3-5(14)7(16)9(18)11(24-3)26-12-10(19)8(17)6( CH$LINK: CAS 4484-88-2 CH$LINK: CHEBI CHEBI:18283 CH$LINK: KEGG C00689 -CH$LINK: PUBCHEM SID:3958 +CH$LINK: PUBCHEM CID:122336 CH$LINK: INCHIKEY LABSPYBHMPDTEL-LIZSDCNHSA-N AC$INSTRUMENT: API3000, Applied Biosystems AC$INSTRUMENT_TYPE: LC-ESI-QQ diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO004214.txt b/Keio_Univ/MSBNK-Keio_Univ-KO004214.txt index ec931902659..7dd04ece33d 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO004214.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO004214.txt @@ -14,7 +14,7 @@ CH$IUPAC: InChI=1S/C12H23O14P/c13-1-3-5(14)7(16)9(18)11(24-3)26-12-10(19)8(17)6( CH$LINK: CAS 4484-88-2 CH$LINK: CHEBI CHEBI:18283 CH$LINK: KEGG C00689 -CH$LINK: PUBCHEM SID:3958 +CH$LINK: PUBCHEM CID:122336 CH$LINK: INCHIKEY LABSPYBHMPDTEL-LIZSDCNHSA-N AC$INSTRUMENT: API3000, Applied Biosystems AC$INSTRUMENT_TYPE: LC-ESI-QQ diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO004215.txt b/Keio_Univ/MSBNK-Keio_Univ-KO004215.txt index 16fe9a2c86b..fc92799b316 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO004215.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO004215.txt @@ -14,7 +14,7 @@ CH$IUPAC: InChI=1S/C12H23O14P/c13-1-3-5(14)7(16)9(18)11(24-3)26-12-10(19)8(17)6( CH$LINK: CAS 4484-88-2 CH$LINK: CHEBI CHEBI:18283 CH$LINK: KEGG C00689 -CH$LINK: PUBCHEM SID:3958 +CH$LINK: PUBCHEM CID:122336 CH$LINK: INCHIKEY LABSPYBHMPDTEL-LIZSDCNHSA-N AC$INSTRUMENT: API3000, Applied Biosystems AC$INSTRUMENT_TYPE: LC-ESI-QQ diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO004221.txt b/Keio_Univ/MSBNK-Keio_Univ-KO004221.txt index 56928b11da9..36591d6a03e 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO004221.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO004221.txt @@ -14,7 +14,7 @@ CH$IUPAC: InChI=1S/C15H17Cl2N3O2/c1-2-3-12-7-21-15(22-12,8-20-10-18-9-19-20)13-5 CH$LINK: CAS 60207-90-1 CH$LINK: KEGG C11121 CH$LINK: NIKKAJI J18.426H -CH$LINK: PUBCHEM SID:13303 +CH$LINK: PUBCHEM CID:43234 CH$LINK: INCHIKEY STJLVHWMYQXCPB-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID8024280 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO004222.txt b/Keio_Univ/MSBNK-Keio_Univ-KO004222.txt index 175343126c2..ae206a3979a 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO004222.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO004222.txt @@ -14,7 +14,7 @@ CH$IUPAC: InChI=1S/C15H17Cl2N3O2/c1-2-3-12-7-21-15(22-12,8-20-10-18-9-19-20)13-5 CH$LINK: CAS 60207-90-1 CH$LINK: KEGG C11121 CH$LINK: NIKKAJI J18.426H -CH$LINK: PUBCHEM SID:13303 +CH$LINK: PUBCHEM CID:43234 CH$LINK: INCHIKEY STJLVHWMYQXCPB-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID8024280 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO004223.txt b/Keio_Univ/MSBNK-Keio_Univ-KO004223.txt index 4eafa633825..1a1ea94e5fc 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO004223.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO004223.txt @@ -14,7 +14,7 @@ CH$IUPAC: InChI=1S/C15H17Cl2N3O2/c1-2-3-12-7-21-15(22-12,8-20-10-18-9-19-20)13-5 CH$LINK: CAS 60207-90-1 CH$LINK: KEGG C11121 CH$LINK: NIKKAJI J18.426H -CH$LINK: PUBCHEM SID:13303 +CH$LINK: PUBCHEM CID:43234 CH$LINK: INCHIKEY STJLVHWMYQXCPB-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID8024280 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO004224.txt b/Keio_Univ/MSBNK-Keio_Univ-KO004224.txt index 888cb3eee21..9e5de6d6805 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO004224.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO004224.txt @@ -14,7 +14,7 @@ CH$IUPAC: InChI=1S/C15H17Cl2N3O2/c1-2-3-12-7-21-15(22-12,8-20-10-18-9-19-20)13-5 CH$LINK: CAS 60207-90-1 CH$LINK: KEGG C11121 CH$LINK: NIKKAJI J18.426H -CH$LINK: PUBCHEM SID:13303 +CH$LINK: PUBCHEM CID:43234 CH$LINK: INCHIKEY STJLVHWMYQXCPB-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID8024280 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO004225.txt b/Keio_Univ/MSBNK-Keio_Univ-KO004225.txt index ace20d88629..33f919f9009 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO004225.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO004225.txt @@ -14,7 +14,7 @@ CH$IUPAC: InChI=1S/C15H17Cl2N3O2/c1-2-3-12-7-21-15(22-12,8-20-10-18-9-19-20)13-5 CH$LINK: CAS 60207-90-1 CH$LINK: KEGG C11121 CH$LINK: NIKKAJI J18.426H -CH$LINK: PUBCHEM SID:13303 +CH$LINK: PUBCHEM CID:43234 CH$LINK: INCHIKEY STJLVHWMYQXCPB-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID8024280 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO004226.txt b/Keio_Univ/MSBNK-Keio_Univ-KO004226.txt index b0a2bbbbf62..5af09dbd0ee 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO004226.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO004226.txt @@ -13,7 +13,7 @@ CH$IUPAC: InChI=1S/C14H16ClN3O2/c1-14(2,3)12(19)13(18-9-16-8-17-18)20-11-6-4-10( CH$LINK: CAS 43121-43-3 CH$LINK: KEGG C11156 CH$LINK: NIKKAJI J1.896A -CH$LINK: PUBCHEM SID:13338 +CH$LINK: PUBCHEM CID:39385 CH$LINK: INCHIKEY WURBVZBTWMNKQT-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID3023897 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO004227.txt b/Keio_Univ/MSBNK-Keio_Univ-KO004227.txt index 87f16c54373..09739e6210f 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO004227.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO004227.txt @@ -13,7 +13,7 @@ CH$IUPAC: InChI=1S/C14H16ClN3O2/c1-14(2,3)12(19)13(18-9-16-8-17-18)20-11-6-4-10( CH$LINK: CAS 43121-43-3 CH$LINK: KEGG C11156 CH$LINK: NIKKAJI J1.896A -CH$LINK: PUBCHEM SID:13338 +CH$LINK: PUBCHEM CID:39385 CH$LINK: INCHIKEY WURBVZBTWMNKQT-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID3023897 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO004228.txt b/Keio_Univ/MSBNK-Keio_Univ-KO004228.txt index c6aa0a50c08..73f078a54c3 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO004228.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO004228.txt @@ -13,7 +13,7 @@ CH$IUPAC: InChI=1S/C14H16ClN3O2/c1-14(2,3)12(19)13(18-9-16-8-17-18)20-11-6-4-10( CH$LINK: CAS 43121-43-3 CH$LINK: KEGG C11156 CH$LINK: NIKKAJI J1.896A -CH$LINK: PUBCHEM SID:13338 +CH$LINK: PUBCHEM CID:39385 CH$LINK: INCHIKEY WURBVZBTWMNKQT-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID3023897 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO004229.txt b/Keio_Univ/MSBNK-Keio_Univ-KO004229.txt index dd470378589..77f8c323a6a 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO004229.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO004229.txt @@ -13,7 +13,7 @@ CH$IUPAC: InChI=1S/C14H16ClN3O2/c1-14(2,3)12(19)13(18-9-16-8-17-18)20-11-6-4-10( CH$LINK: CAS 43121-43-3 CH$LINK: KEGG C11156 CH$LINK: NIKKAJI J1.896A -CH$LINK: PUBCHEM SID:13338 +CH$LINK: PUBCHEM CID:39385 CH$LINK: INCHIKEY WURBVZBTWMNKQT-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID3023897 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO004230.txt b/Keio_Univ/MSBNK-Keio_Univ-KO004230.txt index 766819bb6e5..e7c63ddd40c 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO004230.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO004230.txt @@ -13,7 +13,7 @@ CH$IUPAC: InChI=1S/C14H16ClN3O2/c1-14(2,3)12(19)13(18-9-16-8-17-18)20-11-6-4-10( CH$LINK: CAS 43121-43-3 CH$LINK: KEGG C11156 CH$LINK: NIKKAJI J1.896A -CH$LINK: PUBCHEM SID:13338 +CH$LINK: PUBCHEM CID:39385 CH$LINK: INCHIKEY WURBVZBTWMNKQT-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID3023897 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO004231.txt b/Keio_Univ/MSBNK-Keio_Univ-KO004231.txt index 8ce7d99db69..4c9c31d91da 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO004231.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO004231.txt @@ -13,7 +13,7 @@ CH$IUPAC: InChI=1S/C21H24F3N3S/c1-25-11-13-26(14-12-25)9-4-10-27-17-5-2-3-6-19(1 CH$LINK: CAS 117-89-5 CH$LINK: KEGG C07168 CH$LINK: NIKKAJI J5.293K -CH$LINK: PUBCHEM SID:9377 +CH$LINK: PUBCHEM CID:5566 CH$LINK: INCHIKEY ZEWQUBUPAILYHI-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID1046928 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO004232.txt b/Keio_Univ/MSBNK-Keio_Univ-KO004232.txt index 643865171f2..fc9dc024efe 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO004232.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO004232.txt @@ -13,7 +13,7 @@ CH$IUPAC: InChI=1S/C21H24F3N3S/c1-25-11-13-26(14-12-25)9-4-10-27-17-5-2-3-6-19(1 CH$LINK: CAS 117-89-5 CH$LINK: KEGG C07168 CH$LINK: NIKKAJI J5.293K -CH$LINK: PUBCHEM SID:9377 +CH$LINK: PUBCHEM CID:5566 CH$LINK: INCHIKEY ZEWQUBUPAILYHI-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID1046928 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO004233.txt b/Keio_Univ/MSBNK-Keio_Univ-KO004233.txt index f05d9627edd..6be2a3f4d70 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO004233.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO004233.txt @@ -13,7 +13,7 @@ CH$IUPAC: InChI=1S/C21H24F3N3S/c1-25-11-13-26(14-12-25)9-4-10-27-17-5-2-3-6-19(1 CH$LINK: CAS 117-89-5 CH$LINK: KEGG C07168 CH$LINK: NIKKAJI J5.293K -CH$LINK: PUBCHEM SID:9377 +CH$LINK: PUBCHEM CID:5566 CH$LINK: INCHIKEY ZEWQUBUPAILYHI-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID1046928 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO004234.txt b/Keio_Univ/MSBNK-Keio_Univ-KO004234.txt index 15d6cd22b43..28d2f858d2c 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO004234.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO004234.txt @@ -13,7 +13,7 @@ CH$IUPAC: InChI=1S/C21H24F3N3S/c1-25-11-13-26(14-12-25)9-4-10-27-17-5-2-3-6-19(1 CH$LINK: CAS 117-89-5 CH$LINK: KEGG C07168 CH$LINK: NIKKAJI J5.293K -CH$LINK: PUBCHEM SID:9377 +CH$LINK: PUBCHEM CID:5566 CH$LINK: INCHIKEY ZEWQUBUPAILYHI-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID1046928 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO004235.txt b/Keio_Univ/MSBNK-Keio_Univ-KO004235.txt index e11ce5c0703..bc99919a832 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO004235.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO004235.txt @@ -13,7 +13,7 @@ CH$IUPAC: InChI=1S/C21H24F3N3S/c1-25-11-13-26(14-12-25)9-4-10-27-17-5-2-3-6-19(1 CH$LINK: CAS 117-89-5 CH$LINK: KEGG C07168 CH$LINK: NIKKAJI J5.293K -CH$LINK: PUBCHEM SID:9377 +CH$LINK: PUBCHEM CID:5566 CH$LINK: INCHIKEY ZEWQUBUPAILYHI-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID1046928 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO004236.txt b/Keio_Univ/MSBNK-Keio_Univ-KO004236.txt index 8215de9f5c2..5de85110e91 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO004236.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO004236.txt @@ -13,7 +13,7 @@ CH$IUPAC: InChI=1S/C16H13Cl3N2OS/c17-12-1-2-13(14(18)7-12)15(8-21-5-4-20-10-21)2 CH$LINK: CAS 65899-73-2 CH$LINK: KEGG C08082 CH$LINK: NIKKAJI J3.525D -CH$LINK: PUBCHEM SID:10282 +CH$LINK: PUBCHEM CID:5482 CH$LINK: INCHIKEY QXHHHPZILQDDPS-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID3046619 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO004237.txt b/Keio_Univ/MSBNK-Keio_Univ-KO004237.txt index 8124c8ffbac..7566b5637b5 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO004237.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO004237.txt @@ -13,7 +13,7 @@ CH$IUPAC: InChI=1S/C16H13Cl3N2OS/c17-12-1-2-13(14(18)7-12)15(8-21-5-4-20-10-21)2 CH$LINK: CAS 65899-73-2 CH$LINK: KEGG C08082 CH$LINK: NIKKAJI J3.525D -CH$LINK: PUBCHEM SID:10282 +CH$LINK: PUBCHEM CID:5482 CH$LINK: INCHIKEY QXHHHPZILQDDPS-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID3046619 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO004238.txt b/Keio_Univ/MSBNK-Keio_Univ-KO004238.txt index 07c015249ca..2e8cf980e82 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO004238.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO004238.txt @@ -13,7 +13,7 @@ CH$IUPAC: InChI=1S/C16H13Cl3N2OS/c17-12-1-2-13(14(18)7-12)15(8-21-5-4-20-10-21)2 CH$LINK: CAS 65899-73-2 CH$LINK: KEGG C08082 CH$LINK: NIKKAJI J3.525D -CH$LINK: PUBCHEM SID:10282 +CH$LINK: PUBCHEM CID:5482 CH$LINK: INCHIKEY QXHHHPZILQDDPS-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID3046619 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO004239.txt b/Keio_Univ/MSBNK-Keio_Univ-KO004239.txt index 8132ab59c5c..c846e7be22e 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO004239.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO004239.txt @@ -13,7 +13,7 @@ CH$IUPAC: InChI=1S/C16H13Cl3N2OS/c17-12-1-2-13(14(18)7-12)15(8-21-5-4-20-10-21)2 CH$LINK: CAS 65899-73-2 CH$LINK: KEGG C08082 CH$LINK: NIKKAJI J3.525D -CH$LINK: PUBCHEM SID:10282 +CH$LINK: PUBCHEM CID:5482 CH$LINK: INCHIKEY QXHHHPZILQDDPS-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID3046619 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO004240.txt b/Keio_Univ/MSBNK-Keio_Univ-KO004240.txt index 0e3bf25602b..85c21853a4f 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO004240.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO004240.txt @@ -13,7 +13,7 @@ CH$IUPAC: InChI=1S/C16H13Cl3N2OS/c17-12-1-2-13(14(18)7-12)15(8-21-5-4-20-10-21)2 CH$LINK: CAS 65899-73-2 CH$LINK: KEGG C08082 CH$LINK: NIKKAJI J3.525D -CH$LINK: PUBCHEM SID:10282 +CH$LINK: PUBCHEM CID:5482 CH$LINK: INCHIKEY QXHHHPZILQDDPS-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID3046619 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO004246.txt b/Keio_Univ/MSBNK-Keio_Univ-KO004246.txt index 7d8f6074f50..cb32fd6df5d 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO004246.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO004246.txt @@ -14,7 +14,7 @@ CH$LINK: CAS 58-96-8 CH$LINK: CHEBI CHEBI:16704 CH$LINK: KEGG C00299 CH$LINK: NIKKAJI J4.593D -CH$LINK: PUBCHEM SID:3593 +CH$LINK: PUBCHEM CID:6029 CH$LINK: INCHIKEY DRTQHJPVMGBUCF-XVFCMESISA-N CH$LINK: COMPTOX DTXSID40891555 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO004247.txt b/Keio_Univ/MSBNK-Keio_Univ-KO004247.txt index ab710610c79..428c03c8e17 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO004247.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO004247.txt @@ -14,7 +14,7 @@ CH$LINK: CAS 58-96-8 CH$LINK: CHEBI CHEBI:16704 CH$LINK: KEGG C00299 CH$LINK: NIKKAJI J4.593D -CH$LINK: PUBCHEM SID:3593 +CH$LINK: PUBCHEM CID:6029 CH$LINK: INCHIKEY DRTQHJPVMGBUCF-XVFCMESISA-N CH$LINK: COMPTOX DTXSID40891555 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO004248.txt b/Keio_Univ/MSBNK-Keio_Univ-KO004248.txt index 881042f3343..5f14e5bcb37 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO004248.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO004248.txt @@ -14,7 +14,7 @@ CH$LINK: CAS 58-96-8 CH$LINK: CHEBI CHEBI:16704 CH$LINK: KEGG C00299 CH$LINK: NIKKAJI J4.593D -CH$LINK: PUBCHEM SID:3593 +CH$LINK: PUBCHEM CID:6029 CH$LINK: INCHIKEY DRTQHJPVMGBUCF-XVFCMESISA-N CH$LINK: COMPTOX DTXSID40891555 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO004249.txt b/Keio_Univ/MSBNK-Keio_Univ-KO004249.txt index bfaad5a52e5..d813c9daf86 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO004249.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO004249.txt @@ -14,7 +14,7 @@ CH$LINK: CAS 58-96-8 CH$LINK: CHEBI CHEBI:16704 CH$LINK: KEGG C00299 CH$LINK: NIKKAJI J4.593D -CH$LINK: PUBCHEM SID:3593 +CH$LINK: PUBCHEM CID:6029 CH$LINK: INCHIKEY DRTQHJPVMGBUCF-XVFCMESISA-N CH$LINK: COMPTOX DTXSID40891555 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO004250.txt b/Keio_Univ/MSBNK-Keio_Univ-KO004250.txt index 8dcf9d0f553..e13b8ac7acb 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO004250.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO004250.txt @@ -14,7 +14,7 @@ CH$LINK: CAS 58-96-8 CH$LINK: CHEBI CHEBI:16704 CH$LINK: KEGG C00299 CH$LINK: NIKKAJI J4.593D -CH$LINK: PUBCHEM SID:3593 +CH$LINK: PUBCHEM CID:6029 CH$LINK: INCHIKEY DRTQHJPVMGBUCF-XVFCMESISA-N CH$LINK: COMPTOX DTXSID40891555 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO004251.txt b/Keio_Univ/MSBNK-Keio_Univ-KO004251.txt index 34123742c91..b6f0d1c6ed7 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO004251.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO004251.txt @@ -17,7 +17,7 @@ CH$LINK: CHEBI CHEBI:16414 CH$LINK: CHEMPDB VAL CH$LINK: KEGG C00183 CH$LINK: NIKKAJI J9.179K -CH$LINK: PUBCHEM SID:3483 +CH$LINK: PUBCHEM CID:6287 CH$LINK: INCHIKEY KZSNJWFQEVHDMF-BYPYZUCNSA-N CH$LINK: COMPTOX DTXSID40883233 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO004252.txt b/Keio_Univ/MSBNK-Keio_Univ-KO004252.txt index bed235aff5b..1144084cba4 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO004252.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO004252.txt @@ -17,7 +17,7 @@ CH$LINK: CHEBI CHEBI:16414 CH$LINK: CHEMPDB VAL CH$LINK: KEGG C00183 CH$LINK: NIKKAJI J9.179K -CH$LINK: PUBCHEM SID:3483 +CH$LINK: PUBCHEM CID:6287 CH$LINK: INCHIKEY KZSNJWFQEVHDMF-BYPYZUCNSA-N CH$LINK: COMPTOX DTXSID40883233 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO004253.txt b/Keio_Univ/MSBNK-Keio_Univ-KO004253.txt index fdf292e332f..4291d91f467 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO004253.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO004253.txt @@ -17,7 +17,7 @@ CH$LINK: CHEBI CHEBI:16414 CH$LINK: CHEMPDB VAL CH$LINK: KEGG C00183 CH$LINK: NIKKAJI J9.179K -CH$LINK: PUBCHEM SID:3483 +CH$LINK: PUBCHEM CID:6287 CH$LINK: INCHIKEY KZSNJWFQEVHDMF-BYPYZUCNSA-N CH$LINK: COMPTOX DTXSID40883233 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO004254.txt b/Keio_Univ/MSBNK-Keio_Univ-KO004254.txt index c93e599b61f..67cce01257b 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO004254.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO004254.txt @@ -17,7 +17,7 @@ CH$LINK: CHEBI CHEBI:16414 CH$LINK: CHEMPDB VAL CH$LINK: KEGG C00183 CH$LINK: NIKKAJI J9.179K -CH$LINK: PUBCHEM SID:3483 +CH$LINK: PUBCHEM CID:6287 CH$LINK: INCHIKEY KZSNJWFQEVHDMF-BYPYZUCNSA-N CH$LINK: COMPTOX DTXSID40883233 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO004255.txt b/Keio_Univ/MSBNK-Keio_Univ-KO004255.txt index c470a417200..5f5bf8f79e8 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO004255.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO004255.txt @@ -17,7 +17,7 @@ CH$LINK: CHEBI CHEBI:16414 CH$LINK: CHEMPDB VAL CH$LINK: KEGG C00183 CH$LINK: NIKKAJI J9.179K -CH$LINK: PUBCHEM SID:3483 +CH$LINK: PUBCHEM CID:6287 CH$LINK: INCHIKEY KZSNJWFQEVHDMF-BYPYZUCNSA-N CH$LINK: COMPTOX DTXSID40883233 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO004256.txt b/Keio_Univ/MSBNK-Keio_Univ-KO004256.txt index e4b0e461728..5624d38070a 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO004256.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO004256.txt @@ -14,7 +14,7 @@ CH$IUPAC: InChI=1S/C12H20N4O2/c1-14(2)10-13-11(17)16(12(18)15(10)3)9-7-5-4-6-8-9 CH$LINK: CAS 51235-04-2 CH$LINK: KEGG C10926 CH$LINK: NIKKAJI J11.187B -CH$LINK: PUBCHEM SID:13109 +CH$LINK: PUBCHEM CID:39965 CH$LINK: INCHIKEY CAWXEEYDBZRFPE-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID4024145 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO004257.txt b/Keio_Univ/MSBNK-Keio_Univ-KO004257.txt index a7a68dff8d0..8a0435807ba 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO004257.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO004257.txt @@ -14,7 +14,7 @@ CH$IUPAC: InChI=1S/C12H20N4O2/c1-14(2)10-13-11(17)16(12(18)15(10)3)9-7-5-4-6-8-9 CH$LINK: CAS 51235-04-2 CH$LINK: KEGG C10926 CH$LINK: NIKKAJI J11.187B -CH$LINK: PUBCHEM SID:13109 +CH$LINK: PUBCHEM CID:39965 CH$LINK: INCHIKEY CAWXEEYDBZRFPE-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID4024145 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO004258.txt b/Keio_Univ/MSBNK-Keio_Univ-KO004258.txt index c82eb48e885..a057382cdb8 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO004258.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO004258.txt @@ -14,7 +14,7 @@ CH$IUPAC: InChI=1S/C12H20N4O2/c1-14(2)10-13-11(17)16(12(18)15(10)3)9-7-5-4-6-8-9 CH$LINK: CAS 51235-04-2 CH$LINK: KEGG C10926 CH$LINK: NIKKAJI J11.187B -CH$LINK: PUBCHEM SID:13109 +CH$LINK: PUBCHEM CID:39965 CH$LINK: INCHIKEY CAWXEEYDBZRFPE-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID4024145 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO004259.txt b/Keio_Univ/MSBNK-Keio_Univ-KO004259.txt index 0448c035edf..14cc305ced9 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO004259.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO004259.txt @@ -14,7 +14,7 @@ CH$IUPAC: InChI=1S/C12H20N4O2/c1-14(2)10-13-11(17)16(12(18)15(10)3)9-7-5-4-6-8-9 CH$LINK: CAS 51235-04-2 CH$LINK: KEGG C10926 CH$LINK: NIKKAJI J11.187B -CH$LINK: PUBCHEM SID:13109 +CH$LINK: PUBCHEM CID:39965 CH$LINK: INCHIKEY CAWXEEYDBZRFPE-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID4024145 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO004260.txt b/Keio_Univ/MSBNK-Keio_Univ-KO004260.txt index 25aa1d322ea..66a74e40d2c 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO004260.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO004260.txt @@ -14,7 +14,7 @@ CH$IUPAC: InChI=1S/C12H20N4O2/c1-14(2)10-13-11(17)16(12(18)15(10)3)9-7-5-4-6-8-9 CH$LINK: CAS 51235-04-2 CH$LINK: KEGG C10926 CH$LINK: NIKKAJI J11.187B -CH$LINK: PUBCHEM SID:13109 +CH$LINK: PUBCHEM CID:39965 CH$LINK: INCHIKEY CAWXEEYDBZRFPE-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID4024145 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO004261.txt b/Keio_Univ/MSBNK-Keio_Univ-KO004261.txt index c0ffa5b8284..608377d7054 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO004261.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO004261.txt @@ -13,7 +13,7 @@ CH$IUPAC: InChI=1S/C27H38N2O4/c1-20(2)27(19-28,22-10-12-24(31-5)26(18-22)33-7)14 CH$LINK: CAS 52-53-9 CH$LINK: KEGG C07188 CH$LINK: NIKKAJI J4.132G -CH$LINK: PUBCHEM SID:9397 +CH$LINK: PUBCHEM CID:2520 CH$LINK: INCHIKEY SGTNSNPWRIOYBX-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID9041152 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO004262.txt b/Keio_Univ/MSBNK-Keio_Univ-KO004262.txt index e363f7109d7..f2ef47935c6 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO004262.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO004262.txt @@ -13,7 +13,7 @@ CH$IUPAC: InChI=1S/C27H38N2O4/c1-20(2)27(19-28,22-10-12-24(31-5)26(18-22)33-7)14 CH$LINK: CAS 52-53-9 CH$LINK: KEGG C07188 CH$LINK: NIKKAJI J4.132G -CH$LINK: PUBCHEM SID:9397 +CH$LINK: PUBCHEM CID:2520 CH$LINK: INCHIKEY SGTNSNPWRIOYBX-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID9041152 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO004263.txt b/Keio_Univ/MSBNK-Keio_Univ-KO004263.txt index a217caf46aa..39510f96c0c 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO004263.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO004263.txt @@ -13,7 +13,7 @@ CH$IUPAC: InChI=1S/C27H38N2O4/c1-20(2)27(19-28,22-10-12-24(31-5)26(18-22)33-7)14 CH$LINK: CAS 52-53-9 CH$LINK: KEGG C07188 CH$LINK: NIKKAJI J4.132G -CH$LINK: PUBCHEM SID:9397 +CH$LINK: PUBCHEM CID:2520 CH$LINK: INCHIKEY SGTNSNPWRIOYBX-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID9041152 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO004264.txt b/Keio_Univ/MSBNK-Keio_Univ-KO004264.txt index 4a7470998b1..784651b30a9 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO004264.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO004264.txt @@ -13,7 +13,7 @@ CH$IUPAC: InChI=1S/C27H38N2O4/c1-20(2)27(19-28,22-10-12-24(31-5)26(18-22)33-7)14 CH$LINK: CAS 52-53-9 CH$LINK: KEGG C07188 CH$LINK: NIKKAJI J4.132G -CH$LINK: PUBCHEM SID:9397 +CH$LINK: PUBCHEM CID:2520 CH$LINK: INCHIKEY SGTNSNPWRIOYBX-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID9041152 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO004265.txt b/Keio_Univ/MSBNK-Keio_Univ-KO004265.txt index 949ea82b945..dcf7f9ce9f9 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO004265.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO004265.txt @@ -13,7 +13,7 @@ CH$IUPAC: InChI=1S/C27H38N2O4/c1-20(2)27(19-28,22-10-12-24(31-5)26(18-22)33-7)14 CH$LINK: CAS 52-53-9 CH$LINK: KEGG C07188 CH$LINK: NIKKAJI J4.132G -CH$LINK: PUBCHEM SID:9397 +CH$LINK: PUBCHEM CID:2520 CH$LINK: INCHIKEY SGTNSNPWRIOYBX-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID9041152 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO004271.txt b/Keio_Univ/MSBNK-Keio_Univ-KO004271.txt index dd76eb7de7a..e03c706e66c 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO004271.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO004271.txt @@ -14,7 +14,7 @@ CH$IUPAC: InChI=1S/C9H13N3O3/c10-7-3-4-12(9(14)11-7)8-2-1-6(5-13)15-8/h3-4,6,8,1 CH$LINK: CAS 7481-89-2 CH$LINK: KEGG C07207 CH$LINK: NIKKAJI J277.119E -CH$LINK: PUBCHEM SID:9416 +CH$LINK: PUBCHEM CID:24066 CH$LINK: INCHIKEY WREGKURFCTUGRC-POYBYMJQSA-N CH$LINK: COMPTOX DTXSID0023747 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO004272.txt b/Keio_Univ/MSBNK-Keio_Univ-KO004272.txt index 5e4d8251d27..e7ddf7db14a 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO004272.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO004272.txt @@ -14,7 +14,7 @@ CH$IUPAC: InChI=1S/C9H13N3O3/c10-7-3-4-12(9(14)11-7)8-2-1-6(5-13)15-8/h3-4,6,8,1 CH$LINK: CAS 7481-89-2 CH$LINK: KEGG C07207 CH$LINK: NIKKAJI J277.119E -CH$LINK: PUBCHEM SID:9416 +CH$LINK: PUBCHEM CID:24066 CH$LINK: INCHIKEY WREGKURFCTUGRC-POYBYMJQSA-N CH$LINK: COMPTOX DTXSID0023747 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO004273.txt b/Keio_Univ/MSBNK-Keio_Univ-KO004273.txt index ffe82674000..2bece141cc4 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO004273.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO004273.txt @@ -14,7 +14,7 @@ CH$IUPAC: InChI=1S/C9H13N3O3/c10-7-3-4-12(9(14)11-7)8-2-1-6(5-13)15-8/h3-4,6,8,1 CH$LINK: CAS 7481-89-2 CH$LINK: KEGG C07207 CH$LINK: NIKKAJI J277.119E -CH$LINK: PUBCHEM SID:9416 +CH$LINK: PUBCHEM CID:24066 CH$LINK: INCHIKEY WREGKURFCTUGRC-POYBYMJQSA-N CH$LINK: COMPTOX DTXSID0023747 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO004274.txt b/Keio_Univ/MSBNK-Keio_Univ-KO004274.txt index 5bf8b132226..6ee37f23ee7 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO004274.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO004274.txt @@ -14,7 +14,7 @@ CH$IUPAC: InChI=1S/C9H13N3O3/c10-7-3-4-12(9(14)11-7)8-2-1-6(5-13)15-8/h3-4,6,8,1 CH$LINK: CAS 7481-89-2 CH$LINK: KEGG C07207 CH$LINK: NIKKAJI J277.119E -CH$LINK: PUBCHEM SID:9416 +CH$LINK: PUBCHEM CID:24066 CH$LINK: INCHIKEY WREGKURFCTUGRC-POYBYMJQSA-N CH$LINK: COMPTOX DTXSID0023747 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO004275.txt b/Keio_Univ/MSBNK-Keio_Univ-KO004275.txt index 39b06d4898e..4d937fb6c45 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO004275.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO004275.txt @@ -14,7 +14,7 @@ CH$IUPAC: InChI=1S/C9H13N3O3/c10-7-3-4-12(9(14)11-7)8-2-1-6(5-13)15-8/h3-4,6,8,1 CH$LINK: CAS 7481-89-2 CH$LINK: KEGG C07207 CH$LINK: NIKKAJI J277.119E -CH$LINK: PUBCHEM SID:9416 +CH$LINK: PUBCHEM CID:24066 CH$LINK: INCHIKEY WREGKURFCTUGRC-POYBYMJQSA-N CH$LINK: COMPTOX DTXSID0023747 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO004276.txt b/Keio_Univ/MSBNK-Keio_Univ-KO004276.txt index b654c289a6a..f5f9ee05586 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO004276.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO004276.txt @@ -17,7 +17,7 @@ CH$LINK: CAS 1637-39-4 CH$LINK: CHEBI CHEBI:16522 CH$LINK: KEGG C00371 CH$LINK: NIKKAJI J7.540J -CH$LINK: PUBCHEM SID:3661 +CH$LINK: PUBCHEM CID:449093 CH$LINK: INCHIKEY UZKQTCBAMSWPJD-FARCUNLSSA-N CH$LINK: COMPTOX DTXSID9040631 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO004277.txt b/Keio_Univ/MSBNK-Keio_Univ-KO004277.txt index 55f3f9ee163..bb585a57f45 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO004277.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO004277.txt @@ -17,7 +17,7 @@ CH$LINK: CAS 1637-39-4 CH$LINK: CHEBI CHEBI:16522 CH$LINK: KEGG C00371 CH$LINK: NIKKAJI J7.540J -CH$LINK: PUBCHEM SID:3661 +CH$LINK: PUBCHEM CID:449093 CH$LINK: INCHIKEY UZKQTCBAMSWPJD-FARCUNLSSA-N CH$LINK: COMPTOX DTXSID9040631 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO004278.txt b/Keio_Univ/MSBNK-Keio_Univ-KO004278.txt index 3f32f9303a5..811f5d32ad0 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO004278.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO004278.txt @@ -17,7 +17,7 @@ CH$LINK: CAS 1637-39-4 CH$LINK: CHEBI CHEBI:16522 CH$LINK: KEGG C00371 CH$LINK: NIKKAJI J7.540J -CH$LINK: PUBCHEM SID:3661 +CH$LINK: PUBCHEM CID:449093 CH$LINK: INCHIKEY UZKQTCBAMSWPJD-FARCUNLSSA-N CH$LINK: COMPTOX DTXSID9040631 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO004279.txt b/Keio_Univ/MSBNK-Keio_Univ-KO004279.txt index 8929780ea70..ce4d47b0359 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO004279.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO004279.txt @@ -17,7 +17,7 @@ CH$LINK: CAS 1637-39-4 CH$LINK: CHEBI CHEBI:16522 CH$LINK: KEGG C00371 CH$LINK: NIKKAJI J7.540J -CH$LINK: PUBCHEM SID:3661 +CH$LINK: PUBCHEM CID:449093 CH$LINK: INCHIKEY UZKQTCBAMSWPJD-FARCUNLSSA-N CH$LINK: COMPTOX DTXSID9040631 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO004280.txt b/Keio_Univ/MSBNK-Keio_Univ-KO004280.txt index af44e44b98e..b1fdb9c4342 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO004280.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO004280.txt @@ -17,7 +17,7 @@ CH$LINK: CAS 1637-39-4 CH$LINK: CHEBI CHEBI:16522 CH$LINK: KEGG C00371 CH$LINK: NIKKAJI J7.540J -CH$LINK: PUBCHEM SID:3661 +CH$LINK: PUBCHEM CID:449093 CH$LINK: INCHIKEY UZKQTCBAMSWPJD-FARCUNLSSA-N CH$LINK: COMPTOX DTXSID9040631 AC$INSTRUMENT: API3000, Applied Biosystems diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO009100.txt b/Keio_Univ/MSBNK-Keio_Univ-KO009100.txt index 878fab71499..1ccf8c82332 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO009100.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO009100.txt @@ -14,7 +14,7 @@ CH$IUPAC: InChI=1S/C13H14N4O/c18-13(16-14-11-7-3-1-4-8-11)17-15-12-9-5-2-6-10-12 CH$LINK: CAS 140-22-7 CH$LINK: KEGG C11232 CH$LINK: NIKKAJI J5.651K -CH$LINK: PUBCHEM SID:13411 +CH$LINK: PUBCHEM CID:8789 CH$LINK: INCHIKEY KSPIHGBHKVISFI-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID7059690 AC$INSTRUMENT: LC/MSD Trap XCT, Agilent Technologies diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO009101.txt b/Keio_Univ/MSBNK-Keio_Univ-KO009101.txt index ac98b1ceff5..00c219f6917 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO009101.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO009101.txt @@ -15,7 +15,7 @@ CH$IUPAC: InChI=1S/C13H14N4O/c18-13(16-14-11-7-3-1-4-8-11)17-15-12-9-5-2-6-10-12 CH$LINK: CAS 140-22-7 CH$LINK: KEGG C11232 CH$LINK: NIKKAJI J5.651K -CH$LINK: PUBCHEM SID:13411 +CH$LINK: PUBCHEM CID:8789 CH$LINK: INCHIKEY KSPIHGBHKVISFI-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID7059690 AC$INSTRUMENT: LC/MSD Trap XCT, Agilent Technologies diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO009102.txt b/Keio_Univ/MSBNK-Keio_Univ-KO009102.txt index 663f2711bfe..eae1c3fb62f 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO009102.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO009102.txt @@ -15,7 +15,7 @@ CH$IUPAC: InChI=1S/C13H14N4O/c18-13(16-14-11-7-3-1-4-8-11)17-15-12-9-5-2-6-10-12 CH$LINK: CAS 140-22-7 CH$LINK: KEGG C11232 CH$LINK: NIKKAJI J5.651K -CH$LINK: PUBCHEM SID:13411 +CH$LINK: PUBCHEM CID:8789 CH$LINK: INCHIKEY KSPIHGBHKVISFI-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID7059690 AC$INSTRUMENT: LC/MSD Trap XCT, Agilent Technologies diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO009107.txt b/Keio_Univ/MSBNK-Keio_Univ-KO009107.txt index c23bcda6e28..6f42ea59ba7 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO009107.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO009107.txt @@ -13,7 +13,7 @@ CH$IUPAC: InChI=1S/C12H16F3N/c1-3-16-9(2)7-10-5-4-6-11(8-10)12(13,14)15/h4-6,8-9 CH$LINK: CAS 458-24-2 CH$LINK: KEGG C06996 CH$LINK: NIKKAJI J5.760F -CH$LINK: PUBCHEM SID:9209 +CH$LINK: PUBCHEM CID:3337 CH$LINK: INCHIKEY DBGIVFWFUFKIQN-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID4023044 AC$INSTRUMENT: LC/MSD Trap XCT, Agilent Technologies diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO009108.txt b/Keio_Univ/MSBNK-Keio_Univ-KO009108.txt index 5c919a36431..38e66a6aef4 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO009108.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO009108.txt @@ -14,7 +14,7 @@ CH$IUPAC: InChI=1S/C12H16F3N/c1-3-16-9(2)7-10-5-4-6-11(8-10)12(13,14)15/h4-6,8-9 CH$LINK: CAS 458-24-2 CH$LINK: KEGG C06996 CH$LINK: NIKKAJI J5.760F -CH$LINK: PUBCHEM SID:9209 +CH$LINK: PUBCHEM CID:3337 CH$LINK: INCHIKEY DBGIVFWFUFKIQN-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID4023044 AC$INSTRUMENT: LC/MSD Trap XCT, Agilent Technologies diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO009109.txt b/Keio_Univ/MSBNK-Keio_Univ-KO009109.txt index 98ca84c6b1a..257604406a9 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO009109.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO009109.txt @@ -17,7 +17,7 @@ CH$LINK: CAS 56-73-5 CH$LINK: CHEBI CHEBI:15954 CH$LINK: KEGG C00092 CH$LINK: NIKKAJI J40.066A J166.116G -CH$LINK: PUBCHEM SID:3392 +CH$LINK: PUBCHEM CID:5958 CH$LINK: INCHIKEY NBSCHQHZLSJFNQ-GASJEMHNSA-N AC$INSTRUMENT: LC/MSD Trap XCT, Agilent Technologies AC$INSTRUMENT_TYPE: LC-ESI-IT diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO009110.txt b/Keio_Univ/MSBNK-Keio_Univ-KO009110.txt index 04874baf649..d48b09faa84 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO009110.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO009110.txt @@ -18,7 +18,7 @@ CH$LINK: CAS 56-73-5 CH$LINK: CHEBI CHEBI:15954 CH$LINK: KEGG C00092 CH$LINK: NIKKAJI J40.066A J166.116G -CH$LINK: PUBCHEM SID:3392 +CH$LINK: PUBCHEM CID:5958 CH$LINK: INCHIKEY NBSCHQHZLSJFNQ-GASJEMHNSA-N AC$INSTRUMENT: LC/MSD Trap XCT, Agilent Technologies AC$INSTRUMENT_TYPE: LC-ESI-IT diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO009111.txt b/Keio_Univ/MSBNK-Keio_Univ-KO009111.txt index dfe0ed6bfbb..1f91b44fcb2 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO009111.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO009111.txt @@ -18,7 +18,7 @@ CH$LINK: CAS 56-73-5 CH$LINK: CHEBI CHEBI:15954 CH$LINK: KEGG C00092 CH$LINK: NIKKAJI J40.066A J166.116G -CH$LINK: PUBCHEM SID:3392 +CH$LINK: PUBCHEM CID:5958 CH$LINK: INCHIKEY NBSCHQHZLSJFNQ-GASJEMHNSA-N AC$INSTRUMENT: LC/MSD Trap XCT, Agilent Technologies AC$INSTRUMENT_TYPE: LC-ESI-IT diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO009112.txt b/Keio_Univ/MSBNK-Keio_Univ-KO009112.txt index 938af09735e..bc3895641d5 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO009112.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO009112.txt @@ -14,7 +14,7 @@ CH$SMILES: OCC(O)COP(O)(=O)OCC[N+1](C)(C)C CH$IUPAC: InChI=1S/C8H20NO6P/c1-9(2,3)4-5-14-16(12,13)15-7-8(11)6-10/h8,10-11H,4-7H2,1-3H3/p+1/t8-/m1/s1 CH$LINK: CHEBI CHEBI:16870 CH$LINK: KEGG C00670 -CH$LINK: PUBCHEM SID:3939 +CH$LINK: PUBCHEM CID:439285 CH$LINK: INCHIKEY SUHOQUVVVLNYQR-MRVPVSSYSA-O AC$INSTRUMENT: LC/MSD Trap XCT, Agilent Technologies AC$INSTRUMENT_TYPE: LC-ESI-IT diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO009113.txt b/Keio_Univ/MSBNK-Keio_Univ-KO009113.txt index fd12ca3f077..22973428e24 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO009113.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO009113.txt @@ -15,7 +15,7 @@ CH$SMILES: OCC(O)COP(O)(=O)OCC[N+1](C)(C)C CH$IUPAC: InChI=1S/C8H20NO6P/c1-9(2,3)4-5-14-16(12,13)15-7-8(11)6-10/h8,10-11H,4-7H2,1-3H3/p+1/t8-/m1/s1 CH$LINK: CHEBI CHEBI:16870 CH$LINK: KEGG C00670 -CH$LINK: PUBCHEM SID:3939 +CH$LINK: PUBCHEM CID:439285 CH$LINK: INCHIKEY SUHOQUVVVLNYQR-MRVPVSSYSA-O AC$INSTRUMENT: LC/MSD Trap XCT, Agilent Technologies AC$INSTRUMENT_TYPE: LC-ESI-IT diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO009114.txt b/Keio_Univ/MSBNK-Keio_Univ-KO009114.txt index 6b0de4ab745..4c1b0a3347e 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO009114.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO009114.txt @@ -13,7 +13,7 @@ CH$IUPAC: InChI=1S/C13H16ClNO/c1-15-13(9-5-4-8-12(13)16)10-6-2-3-7-11(10)14/h2-3 CH$LINK: CAS 6740-88-1 CH$LINK: KEGG C07525 CH$LINK: NIKKAJI J244.885H -CH$LINK: PUBCHEM SID:9728 +CH$LINK: PUBCHEM CID:3821 CH$LINK: INCHIKEY YQEZLKZALYSWHR-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID8023187 AC$INSTRUMENT: LC/MSD Trap XCT, Agilent Technologies diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO009115.txt b/Keio_Univ/MSBNK-Keio_Univ-KO009115.txt index 706b12397fe..38c763b0eac 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO009115.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO009115.txt @@ -14,7 +14,7 @@ CH$IUPAC: InChI=1S/C13H16ClNO/c1-15-13(9-5-4-8-12(13)16)10-6-2-3-7-11(10)14/h2-3 CH$LINK: CAS 6740-88-1 CH$LINK: KEGG C07525 CH$LINK: NIKKAJI J244.885H -CH$LINK: PUBCHEM SID:9728 +CH$LINK: PUBCHEM CID:3821 CH$LINK: INCHIKEY YQEZLKZALYSWHR-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID8023187 AC$INSTRUMENT: LC/MSD Trap XCT, Agilent Technologies diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO009116.txt b/Keio_Univ/MSBNK-Keio_Univ-KO009116.txt index a17c6ccf5b6..092a7891d01 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO009116.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO009116.txt @@ -14,7 +14,7 @@ CH$IUPAC: InChI=1S/C13H16ClNO/c1-15-13(9-5-4-8-12(13)16)10-6-2-3-7-11(10)14/h2-3 CH$LINK: CAS 6740-88-1 CH$LINK: KEGG C07525 CH$LINK: NIKKAJI J244.885H -CH$LINK: PUBCHEM SID:9728 +CH$LINK: PUBCHEM CID:3821 CH$LINK: INCHIKEY YQEZLKZALYSWHR-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID8023187 AC$INSTRUMENT: LC/MSD Trap XCT, Agilent Technologies diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO009121.txt b/Keio_Univ/MSBNK-Keio_Univ-KO009121.txt index 00ee1563264..8902a72d64e 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO009121.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO009121.txt @@ -14,7 +14,7 @@ CH$LINK: CAS 15763-06-1 CH$LINK: CHEBI CHEBI:16020 CH$LINK: KEGG C02494 CH$LINK: NIKKAJI J130.848C -CH$LINK: PUBCHEM SID:5506 +CH$LINK: PUBCHEM CID:27476 CH$LINK: INCHIKEY GFYLSDSUCHVORB-IOSLPCCCSA-N CH$LINK: COMPTOX DTXSID30864632 AC$INSTRUMENT: LC/MSD Trap XCT, Agilent Technologies diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO009122.txt b/Keio_Univ/MSBNK-Keio_Univ-KO009122.txt index a638f083337..e0c6796ec9e 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO009122.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO009122.txt @@ -15,7 +15,7 @@ CH$LINK: CAS 15763-06-1 CH$LINK: CHEBI CHEBI:16020 CH$LINK: KEGG C02494 CH$LINK: NIKKAJI J130.848C -CH$LINK: PUBCHEM SID:5506 +CH$LINK: PUBCHEM CID:27476 CH$LINK: INCHIKEY GFYLSDSUCHVORB-IOSLPCCCSA-N CH$LINK: COMPTOX DTXSID30864632 AC$INSTRUMENT: LC/MSD Trap XCT, Agilent Technologies diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO009123.txt b/Keio_Univ/MSBNK-Keio_Univ-KO009123.txt index 002891fd8b8..7c889e7ed07 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO009123.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO009123.txt @@ -14,7 +14,7 @@ CH$IUPAC: InChI=1S/C19H24N2OS/c1-14(12-20(2)3)13-21-16-7-5-6-8-18(16)23-19-10-9- CH$LINK: CAS 60-99-1 CH$LINK: KEGG C07192 CH$LINK: NIKKAJI J76.892H -CH$LINK: PUBCHEM SID:9401 +CH$LINK: PUBCHEM CID:72287 CH$LINK: INCHIKEY VRQVVMDWGGWHTJ-CQSZACIVSA-N CH$LINK: COMPTOX DTXSID1023289 AC$INSTRUMENT: LC/MSD Trap XCT, Agilent Technologies diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO009124.txt b/Keio_Univ/MSBNK-Keio_Univ-KO009124.txt index 04b7f1cf778..9953b93eb50 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO009124.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO009124.txt @@ -15,7 +15,7 @@ CH$IUPAC: InChI=1S/C19H24N2OS/c1-14(12-20(2)3)13-21-16-7-5-6-8-18(16)23-19-10-9- CH$LINK: CAS 60-99-1 CH$LINK: KEGG C07192 CH$LINK: NIKKAJI J76.892H -CH$LINK: PUBCHEM SID:9401 +CH$LINK: PUBCHEM CID:72287 CH$LINK: INCHIKEY VRQVVMDWGGWHTJ-CQSZACIVSA-N CH$LINK: COMPTOX DTXSID1023289 AC$INSTRUMENT: LC/MSD Trap XCT, Agilent Technologies diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO009125.txt b/Keio_Univ/MSBNK-Keio_Univ-KO009125.txt index 525fb252698..f2d45360056 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO009125.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO009125.txt @@ -15,7 +15,7 @@ CH$IUPAC: InChI=1S/C19H24N2OS/c1-14(12-20(2)3)13-21-16-7-5-6-8-18(16)23-19-10-9- CH$LINK: CAS 60-99-1 CH$LINK: KEGG C07192 CH$LINK: NIKKAJI J76.892H -CH$LINK: PUBCHEM SID:9401 +CH$LINK: PUBCHEM CID:72287 CH$LINK: INCHIKEY VRQVVMDWGGWHTJ-CQSZACIVSA-N CH$LINK: COMPTOX DTXSID1023289 AC$INSTRUMENT: LC/MSD Trap XCT, Agilent Technologies diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO009130.txt b/Keio_Univ/MSBNK-Keio_Univ-KO009130.txt index cfac86327f6..1575545604b 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO009130.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO009130.txt @@ -14,7 +14,7 @@ CH$IUPAC: InChI=1S/C12H12N2O3/c1-3-14-6-9(12(16)17)10(15)8-5-4-7(2)13-11(8)14/h4 CH$LINK: CAS 389-08-2 CH$LINK: KEGG C05079 CH$LINK: NIKKAJI J2.039G -CH$LINK: PUBCHEM SID:7525 +CH$LINK: PUBCHEM CID:4421 CH$LINK: INCHIKEY MHWLWQUZZRMNGJ-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID3020912 AC$INSTRUMENT: LC/MSD Trap XCT, Agilent Technologies diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO009131.txt b/Keio_Univ/MSBNK-Keio_Univ-KO009131.txt index 61fd0f05741..d8e690c3c8f 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO009131.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO009131.txt @@ -15,7 +15,7 @@ CH$IUPAC: InChI=1S/C12H12N2O3/c1-3-14-6-9(12(16)17)10(15)8-5-4-7(2)13-11(8)14/h4 CH$LINK: CAS 389-08-2 CH$LINK: KEGG C05079 CH$LINK: NIKKAJI J2.039G -CH$LINK: PUBCHEM SID:7525 +CH$LINK: PUBCHEM CID:4421 CH$LINK: INCHIKEY MHWLWQUZZRMNGJ-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID3020912 AC$INSTRUMENT: LC/MSD Trap XCT, Agilent Technologies diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO009132.txt b/Keio_Univ/MSBNK-Keio_Univ-KO009132.txt index 7e1a7b67753..7d2ed7ffb56 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO009132.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO009132.txt @@ -16,7 +16,7 @@ CH$LINK: CAS 2149-82-8 CH$LINK: CHEBI CHEBI:15842 CH$LINK: KEGG C01103 CH$LINK: NIKKAJI J13.801K -CH$LINK: PUBCHEM SID:4337 +CH$LINK: PUBCHEM CID:160617 CH$LINK: INCHIKEY KYOBSHFOBAOFBF-XVFCMESISA-N AC$INSTRUMENT: LC/MSD Trap XCT, Agilent Technologies AC$INSTRUMENT_TYPE: LC-ESI-IT diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO009133.txt b/Keio_Univ/MSBNK-Keio_Univ-KO009133.txt index 06e2c31beea..187ea27be91 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO009133.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO009133.txt @@ -17,7 +17,7 @@ CH$LINK: CAS 2149-82-8 CH$LINK: CHEBI CHEBI:15842 CH$LINK: KEGG C01103 CH$LINK: NIKKAJI J13.801K -CH$LINK: PUBCHEM SID:4337 +CH$LINK: PUBCHEM CID:160617 CH$LINK: INCHIKEY KYOBSHFOBAOFBF-XVFCMESISA-N AC$INSTRUMENT: LC/MSD Trap XCT, Agilent Technologies AC$INSTRUMENT_TYPE: LC-ESI-IT diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO009134.txt b/Keio_Univ/MSBNK-Keio_Univ-KO009134.txt index 8dc970a9a00..4639158c068 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO009134.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO009134.txt @@ -17,7 +17,7 @@ CH$LINK: CAS 2149-82-8 CH$LINK: CHEBI CHEBI:15842 CH$LINK: KEGG C01103 CH$LINK: NIKKAJI J13.801K -CH$LINK: PUBCHEM SID:4337 +CH$LINK: PUBCHEM CID:160617 CH$LINK: INCHIKEY KYOBSHFOBAOFBF-XVFCMESISA-N AC$INSTRUMENT: LC/MSD Trap XCT, Agilent Technologies AC$INSTRUMENT_TYPE: LC-ESI-IT diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO009135.txt b/Keio_Univ/MSBNK-Keio_Univ-KO009135.txt index ac4445e116a..531b0acdc67 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO009135.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO009135.txt @@ -17,7 +17,7 @@ CH$LINK: CAS 2149-82-8 CH$LINK: CHEBI CHEBI:15842 CH$LINK: KEGG C01103 CH$LINK: NIKKAJI J13.801K -CH$LINK: PUBCHEM SID:4337 +CH$LINK: PUBCHEM CID:160617 CH$LINK: INCHIKEY KYOBSHFOBAOFBF-XVFCMESISA-N AC$INSTRUMENT: LC/MSD Trap XCT, Agilent Technologies AC$INSTRUMENT_TYPE: LC-ESI-IT diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO009143.txt b/Keio_Univ/MSBNK-Keio_Univ-KO009143.txt index 66ec6dda058..fddd75b3d11 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO009143.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO009143.txt @@ -18,7 +18,7 @@ CH$LINK: CHEBI CHEBI:18335 CH$LINK: CHEMPDB PMP CH$LINK: KEGG C00647 CH$LINK: NIKKAJI J11.364F -CH$LINK: PUBCHEM SID:3919 +CH$LINK: PUBCHEM CID:1053 CH$LINK: INCHIKEY ZMJGSOSNSPKHNH-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID3046825 AC$INSTRUMENT: LC/MSD Trap XCT, Agilent Technologies diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO009144.txt b/Keio_Univ/MSBNK-Keio_Univ-KO009144.txt index 0152ed242bc..bc1b46c075e 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO009144.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO009144.txt @@ -19,7 +19,7 @@ CH$LINK: CHEBI CHEBI:18335 CH$LINK: CHEMPDB PMP CH$LINK: KEGG C00647 CH$LINK: NIKKAJI J11.364F -CH$LINK: PUBCHEM SID:3919 +CH$LINK: PUBCHEM CID:1053 CH$LINK: INCHIKEY ZMJGSOSNSPKHNH-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID3046825 AC$INSTRUMENT: LC/MSD Trap XCT, Agilent Technologies diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO009145.txt b/Keio_Univ/MSBNK-Keio_Univ-KO009145.txt index c6b3a539341..4944ab05f39 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO009145.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO009145.txt @@ -19,7 +19,7 @@ CH$LINK: CHEBI CHEBI:18335 CH$LINK: CHEMPDB PMP CH$LINK: KEGG C00647 CH$LINK: NIKKAJI J11.364F -CH$LINK: PUBCHEM SID:3919 +CH$LINK: PUBCHEM CID:1053 CH$LINK: INCHIKEY ZMJGSOSNSPKHNH-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID3046825 AC$INSTRUMENT: LC/MSD Trap XCT, Agilent Technologies diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO009146.txt b/Keio_Univ/MSBNK-Keio_Univ-KO009146.txt index 8705c0b7c43..5b12b6f72f3 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO009146.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO009146.txt @@ -19,7 +19,7 @@ CH$LINK: CHEBI CHEBI:18335 CH$LINK: CHEMPDB PMP CH$LINK: KEGG C00647 CH$LINK: NIKKAJI J11.364F -CH$LINK: PUBCHEM SID:3919 +CH$LINK: PUBCHEM CID:1053 CH$LINK: INCHIKEY ZMJGSOSNSPKHNH-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID3046825 AC$INSTRUMENT: LC/MSD Trap XCT, Agilent Technologies diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO009147.txt b/Keio_Univ/MSBNK-Keio_Univ-KO009147.txt index 7f37293b7e4..68cfc942de8 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO009147.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO009147.txt @@ -19,7 +19,7 @@ CH$LINK: CHEBI CHEBI:18335 CH$LINK: CHEMPDB PMP CH$LINK: KEGG C00647 CH$LINK: NIKKAJI J11.364F -CH$LINK: PUBCHEM SID:3919 +CH$LINK: PUBCHEM CID:1053 CH$LINK: INCHIKEY ZMJGSOSNSPKHNH-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID3046825 AC$INSTRUMENT: LC/MSD Trap XCT, Agilent Technologies diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO009148.txt b/Keio_Univ/MSBNK-Keio_Univ-KO009148.txt index 76baf686384..a4630fec105 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO009148.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO009148.txt @@ -13,7 +13,7 @@ CH$IUPAC: InChI=1S/C23H34N3O10P/c1-11(2)8-16(26-37(33,34)36-23-20(29)19(28)18(27 CH$LINK: CAS 36357-77-4 CH$LINK: KEGG C00563 CH$LINK: NIKKAJI J18.388A -CH$LINK: PUBCHEM SID:3843 +CH$LINK: PUBCHEM CID:445114 CH$LINK: INCHIKEY ZPHBZEQOLSRPAK-XLCYBJAPSA-N AC$INSTRUMENT: LC/MSD Trap XCT, Agilent Technologies AC$INSTRUMENT_TYPE: LC-ESI-IT diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO009149.txt b/Keio_Univ/MSBNK-Keio_Univ-KO009149.txt index 8cf3ac77286..25cf2b41250 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO009149.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO009149.txt @@ -13,7 +13,7 @@ CH$IUPAC: InChI=1S/C10H15N5O3/c11-10-13-8-7(9(18)14-10)12-5-15(8)2-1-6(3-16)4-17 CH$LINK: CAS 39809-25-1 CH$LINK: KEGG C07417 CH$LINK: NIKKAJI J228.035C -CH$LINK: PUBCHEM SID:9621 +CH$LINK: PUBCHEM CID:135398748 CH$LINK: INCHIKEY JNTOCHDNEULJHD-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID9046491 AC$INSTRUMENT: LC/MSD Trap XCT, Agilent Technologies diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO009150.txt b/Keio_Univ/MSBNK-Keio_Univ-KO009150.txt index 2e632a151f1..c1a647bcb47 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO009150.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO009150.txt @@ -14,7 +14,7 @@ CH$IUPAC: InChI=1S/C10H15N5O3/c11-10-13-8-7(9(18)14-10)12-5-15(8)2-1-6(3-16)4-17 CH$LINK: CAS 39809-25-1 CH$LINK: KEGG C07417 CH$LINK: NIKKAJI J228.035C -CH$LINK: PUBCHEM SID:9621 +CH$LINK: PUBCHEM CID:135398748 CH$LINK: INCHIKEY JNTOCHDNEULJHD-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID9046491 AC$INSTRUMENT: LC/MSD Trap XCT, Agilent Technologies diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO009151.txt b/Keio_Univ/MSBNK-Keio_Univ-KO009151.txt index 4ef540301f6..6fdd726964f 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO009151.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO009151.txt @@ -13,7 +13,7 @@ CH$IUPAC: InChI=1S/C11H18N4O2/c1-7-8(2)12-10(14(3)4)13-9(7)17-11(16)15(5)6/h1-6H CH$LINK: CAS 23103-98-2 CH$LINK: KEGG C11079 CH$LINK: NIKKAJI J1.871F -CH$LINK: PUBCHEM SID:13261 +CH$LINK: PUBCHEM CID:31645 CH$LINK: INCHIKEY YFGYUFNIOHWBOB-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID1032569 AC$INSTRUMENT: LC/MSD Trap XCT, Agilent Technologies diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO009152.txt b/Keio_Univ/MSBNK-Keio_Univ-KO009152.txt index b02eaaaa16f..796c55fc6b2 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO009152.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO009152.txt @@ -14,7 +14,7 @@ CH$IUPAC: InChI=1S/C11H18N4O2/c1-7-8(2)12-10(14(3)4)13-9(7)17-11(16)15(5)6/h1-6H CH$LINK: CAS 23103-98-2 CH$LINK: KEGG C11079 CH$LINK: NIKKAJI J1.871F -CH$LINK: PUBCHEM SID:13261 +CH$LINK: PUBCHEM CID:31645 CH$LINK: INCHIKEY YFGYUFNIOHWBOB-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID1032569 AC$INSTRUMENT: LC/MSD Trap XCT, Agilent Technologies diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO009153.txt b/Keio_Univ/MSBNK-Keio_Univ-KO009153.txt index 0fed3134fd1..d1bf6305d60 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO009153.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO009153.txt @@ -14,7 +14,7 @@ CH$IUPAC: InChI=1S/C11H18N4O2/c1-7-8(2)12-10(14(3)4)13-9(7)17-11(16)15(5)6/h1-6H CH$LINK: CAS 23103-98-2 CH$LINK: KEGG C11079 CH$LINK: NIKKAJI J1.871F -CH$LINK: PUBCHEM SID:13261 +CH$LINK: PUBCHEM CID:31645 CH$LINK: INCHIKEY YFGYUFNIOHWBOB-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID1032569 AC$INSTRUMENT: LC/MSD Trap XCT, Agilent Technologies diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO009154.txt b/Keio_Univ/MSBNK-Keio_Univ-KO009154.txt index 7213a869b02..8cc2f6fb38a 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO009154.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO009154.txt @@ -14,7 +14,7 @@ CH$IUPAC: InChI=1S/C11H18N4O2/c1-7-8(2)12-10(14(3)4)13-9(7)17-11(16)15(5)6/h1-6H CH$LINK: CAS 23103-98-2 CH$LINK: KEGG C11079 CH$LINK: NIKKAJI J1.871F -CH$LINK: PUBCHEM SID:13261 +CH$LINK: PUBCHEM CID:31645 CH$LINK: INCHIKEY YFGYUFNIOHWBOB-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID1032569 AC$INSTRUMENT: LC/MSD Trap XCT, Agilent Technologies diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO009155.txt b/Keio_Univ/MSBNK-Keio_Univ-KO009155.txt index 58a8565e73e..f0f8a14d450 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO009155.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO009155.txt @@ -14,7 +14,7 @@ CH$IUPAC: InChI=1S/C11H18N4O2/c1-7-8(2)12-10(14(3)4)13-9(7)17-11(16)15(5)6/h1-6H CH$LINK: CAS 23103-98-2 CH$LINK: KEGG C11079 CH$LINK: NIKKAJI J1.871F -CH$LINK: PUBCHEM SID:13261 +CH$LINK: PUBCHEM CID:31645 CH$LINK: INCHIKEY YFGYUFNIOHWBOB-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID1032569 AC$INSTRUMENT: LC/MSD Trap XCT, Agilent Technologies diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO009156.txt b/Keio_Univ/MSBNK-Keio_Univ-KO009156.txt index 82a57dfa6d0..3b2f8dd1220 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO009156.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO009156.txt @@ -14,7 +14,7 @@ CH$IUPAC: InChI=1S/C11H18N4O2/c1-7-8(2)12-10(14(3)4)13-9(7)17-11(16)15(5)6/h1-6H CH$LINK: CAS 23103-98-2 CH$LINK: KEGG C11079 CH$LINK: NIKKAJI J1.871F -CH$LINK: PUBCHEM SID:13261 +CH$LINK: PUBCHEM CID:31645 CH$LINK: INCHIKEY YFGYUFNIOHWBOB-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID1032569 AC$INSTRUMENT: LC/MSD Trap XCT, Agilent Technologies diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO009157.txt b/Keio_Univ/MSBNK-Keio_Univ-KO009157.txt index 7bfd14e235c..cb5f964b4f3 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO009157.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO009157.txt @@ -14,7 +14,7 @@ CH$IUPAC: InChI=1S/C13H19N3O4/c1-5-10(6-2)14-12-11(15(17)18)7-8(3)9(4)13(12)16(1 CH$LINK: CAS 40487-42-1 CH$LINK: KEGG C11019 CH$LINK: NIKKAJI J1.892I -CH$LINK: PUBCHEM SID:13202 +CH$LINK: PUBCHEM CID:38479 CH$LINK: INCHIKEY CHIFOSRWCNZCFN-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID7024245 AC$INSTRUMENT: LC/MSD Trap XCT, Agilent Technologies diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO009158.txt b/Keio_Univ/MSBNK-Keio_Univ-KO009158.txt index 5feb0b96652..7fb7a976049 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO009158.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO009158.txt @@ -15,7 +15,7 @@ CH$IUPAC: InChI=1S/C13H19N3O4/c1-5-10(6-2)14-12-11(15(17)18)7-8(3)9(4)13(12)16(1 CH$LINK: CAS 40487-42-1 CH$LINK: KEGG C11019 CH$LINK: NIKKAJI J1.892I -CH$LINK: PUBCHEM SID:13202 +CH$LINK: PUBCHEM CID:38479 CH$LINK: INCHIKEY CHIFOSRWCNZCFN-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID7024245 AC$INSTRUMENT: LC/MSD Trap XCT, Agilent Technologies diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO009159.txt b/Keio_Univ/MSBNK-Keio_Univ-KO009159.txt index 57a22e48f8b..fc761c583f4 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO009159.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO009159.txt @@ -15,7 +15,7 @@ CH$IUPAC: InChI=1S/C13H19N3O4/c1-5-10(6-2)14-12-11(15(17)18)7-8(3)9(4)13(12)16(1 CH$LINK: CAS 40487-42-1 CH$LINK: KEGG C11019 CH$LINK: NIKKAJI J1.892I -CH$LINK: PUBCHEM SID:13202 +CH$LINK: PUBCHEM CID:38479 CH$LINK: INCHIKEY CHIFOSRWCNZCFN-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID7024245 AC$INSTRUMENT: LC/MSD Trap XCT, Agilent Technologies diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO009160.txt b/Keio_Univ/MSBNK-Keio_Univ-KO009160.txt index 970ea637a9d..e93da8d6a89 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO009160.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO009160.txt @@ -15,7 +15,7 @@ CH$IUPAC: InChI=1S/C13H19N3O4/c1-5-10(6-2)14-12-11(15(17)18)7-8(3)9(4)13(12)16(1 CH$LINK: CAS 40487-42-1 CH$LINK: KEGG C11019 CH$LINK: NIKKAJI J1.892I -CH$LINK: PUBCHEM SID:13202 +CH$LINK: PUBCHEM CID:38479 CH$LINK: INCHIKEY CHIFOSRWCNZCFN-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID7024245 AC$INSTRUMENT: LC/MSD Trap XCT, Agilent Technologies diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO009161.txt b/Keio_Univ/MSBNK-Keio_Univ-KO009161.txt index 9144447428c..6dd430c9705 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO009161.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO009161.txt @@ -13,7 +13,7 @@ CH$IUPAC: InChI=1S/C13H20N2O2/c1-3-15(4-2)9-10-17-13(16)11-5-7-12(14)8-6-11/h5-8 CH$LINK: CAS 59-46-1 CH$LINK: KEGG C07375 CH$LINK: NIKKAJI J4.603E -CH$LINK: PUBCHEM SID:9579 +CH$LINK: PUBCHEM CID:4914 CH$LINK: INCHIKEY MFDFERRIHVXMIY-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID7045021 AC$INSTRUMENT: LC/MSD Trap XCT, Agilent Technologies diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO009162.txt b/Keio_Univ/MSBNK-Keio_Univ-KO009162.txt index 79db24055a9..5a480a3ee09 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO009162.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO009162.txt @@ -14,7 +14,7 @@ CH$IUPAC: InChI=1S/C13H20N2O2/c1-3-15(4-2)9-10-17-13(16)11-5-7-12(14)8-6-11/h5-8 CH$LINK: CAS 59-46-1 CH$LINK: KEGG C07375 CH$LINK: NIKKAJI J4.603E -CH$LINK: PUBCHEM SID:9579 +CH$LINK: PUBCHEM CID:4914 CH$LINK: INCHIKEY MFDFERRIHVXMIY-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID7045021 AC$INSTRUMENT: LC/MSD Trap XCT, Agilent Technologies diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO009163.txt b/Keio_Univ/MSBNK-Keio_Univ-KO009163.txt index 90c84084f25..bb5df46d9fb 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO009163.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO009163.txt @@ -14,7 +14,7 @@ CH$IUPAC: InChI=1S/C13H20N2O2/c1-3-15(4-2)9-10-17-13(16)11-5-7-12(14)8-6-11/h5-8 CH$LINK: CAS 59-46-1 CH$LINK: KEGG C07375 CH$LINK: NIKKAJI J4.603E -CH$LINK: PUBCHEM SID:9579 +CH$LINK: PUBCHEM CID:4914 CH$LINK: INCHIKEY MFDFERRIHVXMIY-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID7045021 AC$INSTRUMENT: LC/MSD Trap XCT, Agilent Technologies diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO009164.txt b/Keio_Univ/MSBNK-Keio_Univ-KO009164.txt index 1b2c3550178..717d717161d 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO009164.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO009164.txt @@ -14,7 +14,7 @@ CH$IUPAC: InChI=1S/C13H20N2O2/c1-3-15(4-2)9-10-17-13(16)11-5-7-12(14)8-6-11/h5-8 CH$LINK: CAS 59-46-1 CH$LINK: KEGG C07375 CH$LINK: NIKKAJI J4.603E -CH$LINK: PUBCHEM SID:9579 +CH$LINK: PUBCHEM CID:4914 CH$LINK: INCHIKEY MFDFERRIHVXMIY-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID7045021 AC$INSTRUMENT: LC/MSD Trap XCT, Agilent Technologies diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO009165.txt b/Keio_Univ/MSBNK-Keio_Univ-KO009165.txt index 93dae3757fc..96f03221802 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO009165.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO009165.txt @@ -13,7 +13,7 @@ CH$IUPAC: InChI=1S/C19H21N5O4/c1-26-15-10-12-13(11-16(15)27-2)21-19(22-17(12)20) CH$LINK: CAS 19216-56-9 CH$LINK: KEGG C07368 CH$LINK: NIKKAJI J10.000E -CH$LINK: PUBCHEM SID:9572 +CH$LINK: PUBCHEM CID:4893 CH$LINK: INCHIKEY IENZQIKPVFGBNW-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID4049082 AC$INSTRUMENT: LC/MSD Trap XCT, Agilent Technologies diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO009166.txt b/Keio_Univ/MSBNK-Keio_Univ-KO009166.txt index 03cee7a3b81..b5a7dd757d3 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO009166.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO009166.txt @@ -14,7 +14,7 @@ CH$IUPAC: InChI=1S/C19H21N5O4/c1-26-15-10-12-13(11-16(15)27-2)21-19(22-17(12)20) CH$LINK: CAS 19216-56-9 CH$LINK: KEGG C07368 CH$LINK: NIKKAJI J10.000E -CH$LINK: PUBCHEM SID:9572 +CH$LINK: PUBCHEM CID:4893 CH$LINK: INCHIKEY IENZQIKPVFGBNW-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID4049082 AC$INSTRUMENT: LC/MSD Trap XCT, Agilent Technologies diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO009167.txt b/Keio_Univ/MSBNK-Keio_Univ-KO009167.txt index f6af6bc9548..5d9a96b4c88 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO009167.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO009167.txt @@ -14,7 +14,7 @@ CH$IUPAC: InChI=1S/C19H21N5O4/c1-26-15-10-12-13(11-16(15)27-2)21-19(22-17(12)20) CH$LINK: CAS 19216-56-9 CH$LINK: KEGG C07368 CH$LINK: NIKKAJI J10.000E -CH$LINK: PUBCHEM SID:9572 +CH$LINK: PUBCHEM CID:4893 CH$LINK: INCHIKEY IENZQIKPVFGBNW-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID4049082 AC$INSTRUMENT: LC/MSD Trap XCT, Agilent Technologies diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO009168.txt b/Keio_Univ/MSBNK-Keio_Univ-KO009168.txt index 1ec8e1b8bc4..0da2434e374 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO009168.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO009168.txt @@ -14,7 +14,7 @@ CH$IUPAC: InChI=1S/C19H21N5O4/c1-26-15-10-12-13(11-16(15)27-2)21-19(22-17(12)20) CH$LINK: CAS 19216-56-9 CH$LINK: KEGG C07368 CH$LINK: NIKKAJI J10.000E -CH$LINK: PUBCHEM SID:9572 +CH$LINK: PUBCHEM CID:4893 CH$LINK: INCHIKEY IENZQIKPVFGBNW-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID4049082 AC$INSTRUMENT: LC/MSD Trap XCT, Agilent Technologies diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO009169.txt b/Keio_Univ/MSBNK-Keio_Univ-KO009169.txt index 14d3472fe62..4c92e841956 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO009169.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO009169.txt @@ -14,7 +14,7 @@ CH$IUPAC: InChI=1S/C19H21N5O4/c1-26-15-10-12-13(11-16(15)27-2)21-19(22-17(12)20) CH$LINK: CAS 19216-56-9 CH$LINK: KEGG C07368 CH$LINK: NIKKAJI J10.000E -CH$LINK: PUBCHEM SID:9572 +CH$LINK: PUBCHEM CID:4893 CH$LINK: INCHIKEY IENZQIKPVFGBNW-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID4049082 AC$INSTRUMENT: LC/MSD Trap XCT, Agilent Technologies diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO009170.txt b/Keio_Univ/MSBNK-Keio_Univ-KO009170.txt index f8c622cb181..981f88934b7 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO009170.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO009170.txt @@ -14,7 +14,7 @@ CH$IUPAC: InChI=1S/C19H21N5O4/c1-26-15-10-12-13(11-16(15)27-2)21-19(22-17(12)20) CH$LINK: CAS 19216-56-9 CH$LINK: KEGG C07368 CH$LINK: NIKKAJI J10.000E -CH$LINK: PUBCHEM SID:9572 +CH$LINK: PUBCHEM CID:4893 CH$LINK: INCHIKEY IENZQIKPVFGBNW-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID4049082 AC$INSTRUMENT: LC/MSD Trap XCT, Agilent Technologies diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO009171.txt b/Keio_Univ/MSBNK-Keio_Univ-KO009171.txt index 764febe5428..67183607137 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO009171.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO009171.txt @@ -13,7 +13,7 @@ CH$IUPAC: InChI=1S/C16H21NO2/c1-12(2)17-10-14(18)11-19-16-9-5-7-13-6-3-4-8-15(13 CH$LINK: CAS 525-66-6 CH$LINK: KEGG C07407 CH$LINK: NIKKAJI J6.653B -CH$LINK: PUBCHEM SID:9611 +CH$LINK: PUBCHEM CID:4946 CH$LINK: INCHIKEY AQHHHDLHHXJYJD-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID6023525 AC$INSTRUMENT: LC/MSD Trap XCT, Agilent Technologies diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO009172.txt b/Keio_Univ/MSBNK-Keio_Univ-KO009172.txt index bca4585439a..e0b9d7e1dd2 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO009172.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO009172.txt @@ -14,7 +14,7 @@ CH$IUPAC: InChI=1S/C16H21NO2/c1-12(2)17-10-14(18)11-19-16-9-5-7-13-6-3-4-8-15(13 CH$LINK: CAS 525-66-6 CH$LINK: KEGG C07407 CH$LINK: NIKKAJI J6.653B -CH$LINK: PUBCHEM SID:9611 +CH$LINK: PUBCHEM CID:4946 CH$LINK: INCHIKEY AQHHHDLHHXJYJD-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID6023525 AC$INSTRUMENT: LC/MSD Trap XCT, Agilent Technologies diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO009173.txt b/Keio_Univ/MSBNK-Keio_Univ-KO009173.txt index 773ed99e04a..f6afbe34bab 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO009173.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO009173.txt @@ -14,7 +14,7 @@ CH$IUPAC: InChI=1S/C16H21NO2/c1-12(2)17-10-14(18)11-19-16-9-5-7-13-6-3-4-8-15(13 CH$LINK: CAS 525-66-6 CH$LINK: KEGG C07407 CH$LINK: NIKKAJI J6.653B -CH$LINK: PUBCHEM SID:9611 +CH$LINK: PUBCHEM CID:4946 CH$LINK: INCHIKEY AQHHHDLHHXJYJD-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID6023525 AC$INSTRUMENT: LC/MSD Trap XCT, Agilent Technologies diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO009174.txt b/Keio_Univ/MSBNK-Keio_Univ-KO009174.txt index 135cc8c6568..912a12bbec6 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO009174.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO009174.txt @@ -14,7 +14,7 @@ CH$IUPAC: InChI=1S/C16H21NO2/c1-12(2)17-10-14(18)11-19-16-9-5-7-13-6-3-4-8-15(13 CH$LINK: CAS 525-66-6 CH$LINK: KEGG C07407 CH$LINK: NIKKAJI J6.653B -CH$LINK: PUBCHEM SID:9611 +CH$LINK: PUBCHEM CID:4946 CH$LINK: INCHIKEY AQHHHDLHHXJYJD-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID6023525 AC$INSTRUMENT: LC/MSD Trap XCT, Agilent Technologies diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO009175.txt b/Keio_Univ/MSBNK-Keio_Univ-KO009175.txt index 3ac133edef0..ebadb213266 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO009175.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO009175.txt @@ -14,7 +14,7 @@ CH$IUPAC: InChI=1S/C16H21NO2/c1-12(2)17-10-14(18)11-19-16-9-5-7-13-6-3-4-8-15(13 CH$LINK: CAS 525-66-6 CH$LINK: KEGG C07407 CH$LINK: NIKKAJI J6.653B -CH$LINK: PUBCHEM SID:9611 +CH$LINK: PUBCHEM CID:4946 CH$LINK: INCHIKEY AQHHHDLHHXJYJD-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID6023525 AC$INSTRUMENT: LC/MSD Trap XCT, Agilent Technologies diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO009182.txt b/Keio_Univ/MSBNK-Keio_Univ-KO009182.txt index a309dfc9e6d..1150eab535c 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO009182.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO009182.txt @@ -17,7 +17,7 @@ CH$LINK: CAS 79-83-4 CH$LINK: CHEBI CHEBI:7916 CH$LINK: KEGG C00864 CH$LINK: NIKKAJI J4.242K -CH$LINK: PUBCHEM SID:4121 +CH$LINK: PUBCHEM CID:6613 CH$LINK: INCHIKEY GHOKWGTUZJEAQD-ZETCQYMHSA-N CH$LINK: COMPTOX DTXSID9023417 AC$INSTRUMENT: LC/MSD Trap XCT, Agilent Technologies diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO009183.txt b/Keio_Univ/MSBNK-Keio_Univ-KO009183.txt index f98587eeb67..4cde216a626 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO009183.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO009183.txt @@ -18,7 +18,7 @@ CH$LINK: CAS 79-83-4 CH$LINK: CHEBI CHEBI:7916 CH$LINK: KEGG C00864 CH$LINK: NIKKAJI J4.242K -CH$LINK: PUBCHEM SID:4121 +CH$LINK: PUBCHEM CID:6613 CH$LINK: INCHIKEY GHOKWGTUZJEAQD-ZETCQYMHSA-N CH$LINK: COMPTOX DTXSID9023417 AC$INSTRUMENT: LC/MSD Trap XCT, Agilent Technologies diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO009184.txt b/Keio_Univ/MSBNK-Keio_Univ-KO009184.txt index af960e9f196..5afdae03fef 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO009184.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO009184.txt @@ -18,7 +18,7 @@ CH$LINK: CAS 79-83-4 CH$LINK: CHEBI CHEBI:7916 CH$LINK: KEGG C00864 CH$LINK: NIKKAJI J4.242K -CH$LINK: PUBCHEM SID:4121 +CH$LINK: PUBCHEM CID:6613 CH$LINK: INCHIKEY GHOKWGTUZJEAQD-ZETCQYMHSA-N CH$LINK: COMPTOX DTXSID9023417 AC$INSTRUMENT: LC/MSD Trap XCT, Agilent Technologies diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO009185.txt b/Keio_Univ/MSBNK-Keio_Univ-KO009185.txt index f6e9080c52e..64d40b5fd67 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO009185.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO009185.txt @@ -18,7 +18,7 @@ CH$LINK: CAS 79-83-4 CH$LINK: CHEBI CHEBI:7916 CH$LINK: KEGG C00864 CH$LINK: NIKKAJI J4.242K -CH$LINK: PUBCHEM SID:4121 +CH$LINK: PUBCHEM CID:6613 CH$LINK: INCHIKEY GHOKWGTUZJEAQD-ZETCQYMHSA-N CH$LINK: COMPTOX DTXSID9023417 AC$INSTRUMENT: LC/MSD Trap XCT, Agilent Technologies diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO009186.txt b/Keio_Univ/MSBNK-Keio_Univ-KO009186.txt index 18dd19d2077..c22580eb775 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO009186.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO009186.txt @@ -18,7 +18,7 @@ CH$LINK: CAS 79-83-4 CH$LINK: CHEBI CHEBI:7916 CH$LINK: KEGG C00864 CH$LINK: NIKKAJI J4.242K -CH$LINK: PUBCHEM SID:4121 +CH$LINK: PUBCHEM CID:6613 CH$LINK: INCHIKEY GHOKWGTUZJEAQD-ZETCQYMHSA-N CH$LINK: COMPTOX DTXSID9023417 AC$INSTRUMENT: LC/MSD Trap XCT, Agilent Technologies diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO009195.txt b/Keio_Univ/MSBNK-Keio_Univ-KO009195.txt index f0c09cba018..e7612b29818 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO009195.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO009195.txt @@ -16,7 +16,7 @@ CH$LINK: CAS 2238-90-6 CH$LINK: CHEBI CHEBI:16874 CH$LINK: KEGG C01747 CH$LINK: NIKKAJI J39.570F -CH$LINK: PUBCHEM SID:4881 +CH$LINK: PUBCHEM CID:5280458 CH$LINK: INCHIKEY HHJTWTPUPVQKNA-PIIMIWFASA-N AC$INSTRUMENT: LC/MSD Trap XCT, Agilent Technologies AC$INSTRUMENT_TYPE: LC-ESI-IT diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO009196.txt b/Keio_Univ/MSBNK-Keio_Univ-KO009196.txt index e01fd8a8a5b..5a03940e0b1 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO009196.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO009196.txt @@ -17,7 +17,7 @@ CH$LINK: CAS 2238-90-6 CH$LINK: CHEBI CHEBI:16874 CH$LINK: KEGG C01747 CH$LINK: NIKKAJI J39.570F -CH$LINK: PUBCHEM SID:4881 +CH$LINK: PUBCHEM CID:5280458 CH$LINK: INCHIKEY HHJTWTPUPVQKNA-PIIMIWFASA-N AC$INSTRUMENT: LC/MSD Trap XCT, Agilent Technologies AC$INSTRUMENT_TYPE: LC-ESI-IT diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO009197.txt b/Keio_Univ/MSBNK-Keio_Univ-KO009197.txt index f595a31d50a..536d16f38ff 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO009197.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO009197.txt @@ -17,7 +17,7 @@ CH$LINK: CAS 2238-90-6 CH$LINK: CHEBI CHEBI:16874 CH$LINK: KEGG C01747 CH$LINK: NIKKAJI J39.570F -CH$LINK: PUBCHEM SID:4881 +CH$LINK: PUBCHEM CID:5280458 CH$LINK: INCHIKEY HHJTWTPUPVQKNA-PIIMIWFASA-N AC$INSTRUMENT: LC/MSD Trap XCT, Agilent Technologies AC$INSTRUMENT_TYPE: LC-ESI-IT diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO009198.txt b/Keio_Univ/MSBNK-Keio_Univ-KO009198.txt index 9e417db32d9..b074a488573 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO009198.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO009198.txt @@ -17,7 +17,7 @@ CH$LINK: CAS 2238-90-6 CH$LINK: CHEBI CHEBI:16874 CH$LINK: KEGG C01747 CH$LINK: NIKKAJI J39.570F -CH$LINK: PUBCHEM SID:4881 +CH$LINK: PUBCHEM CID:5280458 CH$LINK: INCHIKEY HHJTWTPUPVQKNA-PIIMIWFASA-N AC$INSTRUMENT: LC/MSD Trap XCT, Agilent Technologies AC$INSTRUMENT_TYPE: LC-ESI-IT diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO009199.txt b/Keio_Univ/MSBNK-Keio_Univ-KO009199.txt index 44b2848bc52..4fe8ea0e63f 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO009199.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO009199.txt @@ -13,7 +13,7 @@ CH$IUPAC: InChI=1S/C15H13N3O4S/c1-18-13(15(20)17-12-8-4-5-9-16-12)14(19)10-6-2-3 CH$LINK: CAS 36322-90-4 CH$LINK: KEGG C01608 CH$LINK: NIKKAJI J3.498C -CH$LINK: PUBCHEM SID:4761 +CH$LINK: PUBCHEM CID:54676228 CH$LINK: INCHIKEY QYSPLQLAKJAUJT-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID5021170 AC$INSTRUMENT: LC/MSD Trap XCT, Agilent Technologies diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO009200.txt b/Keio_Univ/MSBNK-Keio_Univ-KO009200.txt index 0f24ec37136..76607bbdd4d 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO009200.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO009200.txt @@ -14,7 +14,7 @@ CH$IUPAC: InChI=1S/C15H13N3O4S/c1-18-13(15(20)17-12-8-4-5-9-16-12)14(19)10-6-2-3 CH$LINK: CAS 36322-90-4 CH$LINK: KEGG C01608 CH$LINK: NIKKAJI J3.498C -CH$LINK: PUBCHEM SID:4761 +CH$LINK: PUBCHEM CID:54676228 CH$LINK: INCHIKEY QYSPLQLAKJAUJT-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID5021170 AC$INSTRUMENT: LC/MSD Trap XCT, Agilent Technologies diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO009201.txt b/Keio_Univ/MSBNK-Keio_Univ-KO009201.txt index c40c0e9f8b1..7a0b4c61655 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO009201.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO009201.txt @@ -14,7 +14,7 @@ CH$LINK: CAS 130-86-9 CH$LINK: CHEBI CHEBI:16415 CH$LINK: KEGG C05189 CH$LINK: NIKKAJI J40.085H -CH$LINK: PUBCHEM SID:7594 +CH$LINK: PUBCHEM CID:4970 CH$LINK: INCHIKEY GPTFURBXHJWNHR-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID90156282 AC$INSTRUMENT: LC/MSD Trap XCT, Agilent Technologies diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO009202.txt b/Keio_Univ/MSBNK-Keio_Univ-KO009202.txt index 0232e48399b..f8514e1740e 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO009202.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO009202.txt @@ -15,7 +15,7 @@ CH$LINK: CAS 130-86-9 CH$LINK: CHEBI CHEBI:16415 CH$LINK: KEGG C05189 CH$LINK: NIKKAJI J40.085H -CH$LINK: PUBCHEM SID:7594 +CH$LINK: PUBCHEM CID:4970 CH$LINK: INCHIKEY GPTFURBXHJWNHR-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID90156282 AC$INSTRUMENT: LC/MSD Trap XCT, Agilent Technologies diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO009203.txt b/Keio_Univ/MSBNK-Keio_Univ-KO009203.txt index cfeead3288f..e2f4c784e54 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO009203.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO009203.txt @@ -15,7 +15,7 @@ CH$LINK: CAS 130-86-9 CH$LINK: CHEBI CHEBI:16415 CH$LINK: KEGG C05189 CH$LINK: NIKKAJI J40.085H -CH$LINK: PUBCHEM SID:7594 +CH$LINK: PUBCHEM CID:4970 CH$LINK: INCHIKEY GPTFURBXHJWNHR-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID90156282 AC$INSTRUMENT: LC/MSD Trap XCT, Agilent Technologies diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO009204.txt b/Keio_Univ/MSBNK-Keio_Univ-KO009204.txt index 1e5c4384d6d..f3bb77b7b25 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO009204.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO009204.txt @@ -15,7 +15,7 @@ CH$LINK: CAS 130-86-9 CH$LINK: CHEBI CHEBI:16415 CH$LINK: KEGG C05189 CH$LINK: NIKKAJI J40.085H -CH$LINK: PUBCHEM SID:7594 +CH$LINK: PUBCHEM CID:4970 CH$LINK: INCHIKEY GPTFURBXHJWNHR-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID90156282 AC$INSTRUMENT: LC/MSD Trap XCT, Agilent Technologies diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO009205.txt b/Keio_Univ/MSBNK-Keio_Univ-KO009205.txt index 4503585fc1d..877b284d7b9 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO009205.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO009205.txt @@ -15,7 +15,7 @@ CH$LINK: CAS 130-86-9 CH$LINK: CHEBI CHEBI:16415 CH$LINK: KEGG C05189 CH$LINK: NIKKAJI J40.085H -CH$LINK: PUBCHEM SID:7594 +CH$LINK: PUBCHEM CID:4970 CH$LINK: INCHIKEY GPTFURBXHJWNHR-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID90156282 AC$INSTRUMENT: LC/MSD Trap XCT, Agilent Technologies diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO009206.txt b/Keio_Univ/MSBNK-Keio_Univ-KO009206.txt index 41705a2451b..8adc0ae3cca 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO009206.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO009206.txt @@ -15,7 +15,7 @@ CH$LINK: CAS 130-86-9 CH$LINK: CHEBI CHEBI:16415 CH$LINK: KEGG C05189 CH$LINK: NIKKAJI J40.085H -CH$LINK: PUBCHEM SID:7594 +CH$LINK: PUBCHEM CID:4970 CH$LINK: INCHIKEY GPTFURBXHJWNHR-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID90156282 AC$INSTRUMENT: LC/MSD Trap XCT, Agilent Technologies diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO009207.txt b/Keio_Univ/MSBNK-Keio_Univ-KO009207.txt index 72e0bc383b8..eb8b4cb9b55 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO009207.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO009207.txt @@ -15,7 +15,7 @@ CH$LINK: CAS 130-86-9 CH$LINK: CHEBI CHEBI:16415 CH$LINK: KEGG C05189 CH$LINK: NIKKAJI J40.085H -CH$LINK: PUBCHEM SID:7594 +CH$LINK: PUBCHEM CID:4970 CH$LINK: INCHIKEY GPTFURBXHJWNHR-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID90156282 AC$INSTRUMENT: LC/MSD Trap XCT, Agilent Technologies diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO009208.txt b/Keio_Univ/MSBNK-Keio_Univ-KO009208.txt index b57ea1d3114..f59ee770ec0 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO009208.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO009208.txt @@ -15,7 +15,7 @@ CH$LINK: CAS 130-86-9 CH$LINK: CHEBI CHEBI:16415 CH$LINK: KEGG C05189 CH$LINK: NIKKAJI J40.085H -CH$LINK: PUBCHEM SID:7594 +CH$LINK: PUBCHEM CID:4970 CH$LINK: INCHIKEY GPTFURBXHJWNHR-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID90156282 AC$INSTRUMENT: LC/MSD Trap XCT, Agilent Technologies diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO009209.txt b/Keio_Univ/MSBNK-Keio_Univ-KO009209.txt index e13cf2f8576..d5a3e57a225 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO009209.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO009209.txt @@ -15,7 +15,7 @@ CH$LINK: CAS 130-86-9 CH$LINK: CHEBI CHEBI:16415 CH$LINK: KEGG C05189 CH$LINK: NIKKAJI J40.085H -CH$LINK: PUBCHEM SID:7594 +CH$LINK: PUBCHEM CID:4970 CH$LINK: INCHIKEY GPTFURBXHJWNHR-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID90156282 AC$INSTRUMENT: LC/MSD Trap XCT, Agilent Technologies diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO009210.txt b/Keio_Univ/MSBNK-Keio_Univ-KO009210.txt index 4ee4f15ef50..07582971d49 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO009210.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO009210.txt @@ -15,7 +15,7 @@ CH$LINK: CAS 3486-67-7 CH$LINK: CHEBI CHEBI:16096 CH$LINK: KEGG C05315 CH$LINK: NIKKAJI J12.970D -CH$LINK: PUBCHEM SID:7697 +CH$LINK: PUBCHEM CID:19009 CH$LINK: INCHIKEY QUCQEUCGKKTEBI-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID9048065 AC$INSTRUMENT: LC/MSD Trap XCT, Agilent Technologies diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO009211.txt b/Keio_Univ/MSBNK-Keio_Univ-KO009211.txt index 49290e6a917..3d3b5d9a36f 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO009211.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO009211.txt @@ -16,7 +16,7 @@ CH$LINK: CAS 3486-67-7 CH$LINK: CHEBI CHEBI:16096 CH$LINK: KEGG C05315 CH$LINK: NIKKAJI J12.970D -CH$LINK: PUBCHEM SID:7697 +CH$LINK: PUBCHEM CID:19009 CH$LINK: INCHIKEY QUCQEUCGKKTEBI-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID9048065 AC$INSTRUMENT: LC/MSD Trap XCT, Agilent Technologies diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO009212.txt b/Keio_Univ/MSBNK-Keio_Univ-KO009212.txt index c1f5988af82..4fbbecbe80c 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO009212.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO009212.txt @@ -16,7 +16,7 @@ CH$LINK: CAS 3486-67-7 CH$LINK: CHEBI CHEBI:16096 CH$LINK: KEGG C05315 CH$LINK: NIKKAJI J12.970D -CH$LINK: PUBCHEM SID:7697 +CH$LINK: PUBCHEM CID:19009 CH$LINK: INCHIKEY QUCQEUCGKKTEBI-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID9048065 AC$INSTRUMENT: LC/MSD Trap XCT, Agilent Technologies diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO009213.txt b/Keio_Univ/MSBNK-Keio_Univ-KO009213.txt index ff6b8ecf44a..b639d4a5165 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO009213.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO009213.txt @@ -14,7 +14,7 @@ CH$LINK: CAS 53-79-2 CH$LINK: CHEBI CHEBI:17939 CH$LINK: KEGG C01610 CH$LINK: NIKKAJI J2.310H -CH$LINK: PUBCHEM SID:4763 +CH$LINK: PUBCHEM CID:439530 CH$LINK: INCHIKEY RXWNCPJZOCPEPQ-NVWDDTSBSA-N CH$LINK: COMPTOX DTXSID8036788 AC$INSTRUMENT: LC/MSD Trap XCT, Agilent Technologies diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO009214.txt b/Keio_Univ/MSBNK-Keio_Univ-KO009214.txt index 0dd1d90a2c4..c5162048c98 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO009214.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO009214.txt @@ -15,7 +15,7 @@ CH$LINK: CAS 53-79-2 CH$LINK: CHEBI CHEBI:17939 CH$LINK: KEGG C01610 CH$LINK: NIKKAJI J2.310H -CH$LINK: PUBCHEM SID:4763 +CH$LINK: PUBCHEM CID:439530 CH$LINK: INCHIKEY RXWNCPJZOCPEPQ-NVWDDTSBSA-N CH$LINK: COMPTOX DTXSID8036788 AC$INSTRUMENT: LC/MSD Trap XCT, Agilent Technologies diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO009215.txt b/Keio_Univ/MSBNK-Keio_Univ-KO009215.txt index 3566d987c8c..a22828015db 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO009215.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO009215.txt @@ -15,7 +15,7 @@ CH$LINK: CAS 53-79-2 CH$LINK: CHEBI CHEBI:17939 CH$LINK: KEGG C01610 CH$LINK: NIKKAJI J2.310H -CH$LINK: PUBCHEM SID:4763 +CH$LINK: PUBCHEM CID:439530 CH$LINK: INCHIKEY RXWNCPJZOCPEPQ-NVWDDTSBSA-N CH$LINK: COMPTOX DTXSID8036788 AC$INSTRUMENT: LC/MSD Trap XCT, Agilent Technologies diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO009216.txt b/Keio_Univ/MSBNK-Keio_Univ-KO009216.txt index 9f28a207792..814155bd6b8 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO009216.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO009216.txt @@ -13,10 +13,10 @@ CH$FORMULA: C10H12N4O4 CH$EXACT_MASS: 252.08585 CH$SMILES: OC[C@@H](O1)[C@@H](O)[C@@H](O)[C@@H]1n(c2)c(n3)c(cnc3)n2 CH$IUPAC: InChI=1S/C10H12N4O4/c15-2-6-7(16)8(17)10(18-6)14-4-13-5-1-11-3-12-9(5)14/h1,3-4,6-8,10,15-17H,2H2/t6-,7-,8-,10-/m1/s1 -CH$LINK: CAS 550-33-4 9030-21-1 +CH$LINK: CAS 550-33-4 CH$LINK: CHEBI CHEBI:18255 CH$LINK: KEGG C01736 -CH$LINK: PUBCHEM SID:4871 +CH$LINK: PUBCHEM CID:68368 CH$LINK: INCHIKEY MRWXACSTFXYYMV-FDDDBJFASA-N AC$INSTRUMENT: LC/MSD Trap XCT, Agilent Technologies AC$INSTRUMENT_TYPE: LC-ESI-IT diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO009217.txt b/Keio_Univ/MSBNK-Keio_Univ-KO009217.txt index 021e947228d..137726f9d0f 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO009217.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO009217.txt @@ -14,10 +14,10 @@ CH$FORMULA: C10H12N4O4 CH$EXACT_MASS: 252.08585 CH$SMILES: OC[C@@H](O1)[C@@H](O)[C@@H](O)[C@@H]1n(c2)c(n3)c(cnc3)n2 CH$IUPAC: InChI=1S/C10H12N4O4/c15-2-6-7(16)8(17)10(18-6)14-4-13-5-1-11-3-12-9(5)14/h1,3-4,6-8,10,15-17H,2H2/t6-,7-,8-,10-/m1/s1 -CH$LINK: CAS 550-33-4 9030-21-1 +CH$LINK: CAS 550-33-4 CH$LINK: CHEBI CHEBI:18255 CH$LINK: KEGG C01736 -CH$LINK: PUBCHEM SID:4871 +CH$LINK: PUBCHEM CID:68368 CH$LINK: INCHIKEY MRWXACSTFXYYMV-FDDDBJFASA-N AC$INSTRUMENT: LC/MSD Trap XCT, Agilent Technologies AC$INSTRUMENT_TYPE: LC-ESI-IT diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO009218.txt b/Keio_Univ/MSBNK-Keio_Univ-KO009218.txt index 871e18425ef..ce00aeb31a8 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO009218.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO009218.txt @@ -16,7 +16,7 @@ CH$LINK: CAS 67-07-2 CH$LINK: CHEBI CHEBI:17287 CH$LINK: KEGG C02305 CH$LINK: NIKKAJI J4.848H -CH$LINK: PUBCHEM SID:5359 +CH$LINK: PUBCHEM CID:9548602 CH$LINK: INCHIKEY DRBBFCLWYRJSJZ-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID0058776 AC$INSTRUMENT: LC/MSD Trap XCT, Agilent Technologies diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO009219.txt b/Keio_Univ/MSBNK-Keio_Univ-KO009219.txt index 4c473f1394c..913a29144f1 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO009219.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO009219.txt @@ -17,7 +17,7 @@ CH$LINK: CAS 67-07-2 CH$LINK: CHEBI CHEBI:17287 CH$LINK: KEGG C02305 CH$LINK: NIKKAJI J4.848H -CH$LINK: PUBCHEM SID:5359 +CH$LINK: PUBCHEM CID:9548602 CH$LINK: INCHIKEY DRBBFCLWYRJSJZ-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID0058776 AC$INSTRUMENT: LC/MSD Trap XCT, Agilent Technologies diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO009220.txt b/Keio_Univ/MSBNK-Keio_Univ-KO009220.txt index d72d6083a38..2a896e25e3a 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO009220.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO009220.txt @@ -17,7 +17,7 @@ CH$LINK: CAS 67-07-2 CH$LINK: CHEBI CHEBI:17287 CH$LINK: KEGG C02305 CH$LINK: NIKKAJI J4.848H -CH$LINK: PUBCHEM SID:5359 +CH$LINK: PUBCHEM CID:9548602 CH$LINK: INCHIKEY DRBBFCLWYRJSJZ-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID0058776 AC$INSTRUMENT: LC/MSD Trap XCT, Agilent Technologies diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO009230.txt b/Keio_Univ/MSBNK-Keio_Univ-KO009230.txt index 4bb5eaaa885..f626abae239 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO009230.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO009230.txt @@ -16,7 +16,7 @@ CH$LINK: CHEBI CHEBI:15746 CH$LINK: CHEMPDB SPM CH$LINK: KEGG C00750 CH$LINK: NIKKAJI J5.246I -CH$LINK: PUBCHEM SID:4012 +CH$LINK: PUBCHEM CID:1103 CH$LINK: INCHIKEY PFNFFQXMRSDOHW-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID9058781 AC$INSTRUMENT: LC/MSD Trap XCT, Agilent Technologies diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO009231.txt b/Keio_Univ/MSBNK-Keio_Univ-KO009231.txt index 4797c26ba85..28d422ab0b8 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO009231.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO009231.txt @@ -17,7 +17,7 @@ CH$LINK: CHEBI CHEBI:15746 CH$LINK: CHEMPDB SPM CH$LINK: KEGG C00750 CH$LINK: NIKKAJI J5.246I -CH$LINK: PUBCHEM SID:4012 +CH$LINK: PUBCHEM CID:1103 CH$LINK: INCHIKEY PFNFFQXMRSDOHW-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID9058781 AC$INSTRUMENT: LC/MSD Trap XCT, Agilent Technologies diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO009232.txt b/Keio_Univ/MSBNK-Keio_Univ-KO009232.txt index beafb4a99b6..fe83e0079ea 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO009232.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO009232.txt @@ -17,7 +17,7 @@ CH$LINK: CHEBI CHEBI:15746 CH$LINK: CHEMPDB SPM CH$LINK: KEGG C00750 CH$LINK: NIKKAJI J5.246I -CH$LINK: PUBCHEM SID:4012 +CH$LINK: PUBCHEM CID:1103 CH$LINK: INCHIKEY PFNFFQXMRSDOHW-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID9058781 AC$INSTRUMENT: LC/MSD Trap XCT, Agilent Technologies diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO009237.txt b/Keio_Univ/MSBNK-Keio_Univ-KO009237.txt index 2c95f66c674..c17d2d850fe 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO009237.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO009237.txt @@ -14,7 +14,7 @@ CH$LINK: CAS 2447-54-3 CH$LINK: CHEBI CHEBI:17183 CH$LINK: KEGG C06162 CH$LINK: NIKKAJI J7.576K -CH$LINK: PUBCHEM SID:8418 +CH$LINK: PUBCHEM CID:5154 CH$LINK: INCHIKEY INVGWHRKADIJHF-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID0045204 AC$INSTRUMENT: LC/MSD Trap XCT, Agilent Technologies diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO009238.txt b/Keio_Univ/MSBNK-Keio_Univ-KO009238.txt index 3593750cd9a..040408c6a94 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO009238.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO009238.txt @@ -15,7 +15,7 @@ CH$LINK: CAS 2447-54-3 CH$LINK: CHEBI CHEBI:17183 CH$LINK: KEGG C06162 CH$LINK: NIKKAJI J7.576K -CH$LINK: PUBCHEM SID:8418 +CH$LINK: PUBCHEM CID:5154 CH$LINK: INCHIKEY INVGWHRKADIJHF-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID0045204 AC$INSTRUMENT: LC/MSD Trap XCT, Agilent Technologies diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO009239.txt b/Keio_Univ/MSBNK-Keio_Univ-KO009239.txt index 0988d300714..5f258e7ad42 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO009239.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO009239.txt @@ -15,7 +15,7 @@ CH$LINK: CAS 2447-54-3 CH$LINK: CHEBI CHEBI:17183 CH$LINK: KEGG C06162 CH$LINK: NIKKAJI J7.576K -CH$LINK: PUBCHEM SID:8418 +CH$LINK: PUBCHEM CID:5154 CH$LINK: INCHIKEY INVGWHRKADIJHF-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID0045204 AC$INSTRUMENT: LC/MSD Trap XCT, Agilent Technologies diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO009240.txt b/Keio_Univ/MSBNK-Keio_Univ-KO009240.txt index d542fbb8b6c..ba9cbcbda7e 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO009240.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO009240.txt @@ -15,7 +15,7 @@ CH$LINK: CAS 2447-54-3 CH$LINK: CHEBI CHEBI:17183 CH$LINK: KEGG C06162 CH$LINK: NIKKAJI J7.576K -CH$LINK: PUBCHEM SID:8418 +CH$LINK: PUBCHEM CID:5154 CH$LINK: INCHIKEY INVGWHRKADIJHF-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID0045204 AC$INSTRUMENT: LC/MSD Trap XCT, Agilent Technologies diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO009241.txt b/Keio_Univ/MSBNK-Keio_Univ-KO009241.txt index 4a44537d574..883e691365c 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO009241.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO009241.txt @@ -15,7 +15,7 @@ CH$LINK: CAS 2447-54-3 CH$LINK: CHEBI CHEBI:17183 CH$LINK: KEGG C06162 CH$LINK: NIKKAJI J7.576K -CH$LINK: PUBCHEM SID:8418 +CH$LINK: PUBCHEM CID:5154 CH$LINK: INCHIKEY INVGWHRKADIJHF-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID0045204 AC$INSTRUMENT: LC/MSD Trap XCT, Agilent Technologies diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO009242.txt b/Keio_Univ/MSBNK-Keio_Univ-KO009242.txt index ce9b9a25cf7..48edc7b151f 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO009242.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO009242.txt @@ -14,7 +14,7 @@ CH$IUPAC: InChI=1S/C14H24N2O7/c1-5-4-6(17)14(20)13(21-5)22-12-10(19)7(15-2)9(18) CH$LINK: CAS 1695-77-8 CH$LINK: KEGG C02078 CH$LINK: NIKKAJI J7.562K -CH$LINK: PUBCHEM SID:5164 +CH$LINK: PUBCHEM CID:15541 CH$LINK: INCHIKEY UNFWWIHTNXNPBV-WXKVUWSESA-N CH$LINK: COMPTOX DTXSID9023592 AC$INSTRUMENT: LC/MSD Trap XCT, Agilent Technologies diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO009243.txt b/Keio_Univ/MSBNK-Keio_Univ-KO009243.txt index 6b4d5e4a694..00e2b0a680c 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO009243.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO009243.txt @@ -15,7 +15,7 @@ CH$IUPAC: InChI=1S/C14H24N2O7/c1-5-4-6(17)14(20)13(21-5)22-12-10(19)7(15-2)9(18) CH$LINK: CAS 1695-77-8 CH$LINK: KEGG C02078 CH$LINK: NIKKAJI J7.562K -CH$LINK: PUBCHEM SID:5164 +CH$LINK: PUBCHEM CID:15541 CH$LINK: INCHIKEY UNFWWIHTNXNPBV-WXKVUWSESA-N CH$LINK: COMPTOX DTXSID9023592 AC$INSTRUMENT: LC/MSD Trap XCT, Agilent Technologies diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO009244.txt b/Keio_Univ/MSBNK-Keio_Univ-KO009244.txt index c177933a9a1..7dc6ab91292 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO009244.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO009244.txt @@ -15,7 +15,7 @@ CH$IUPAC: InChI=1S/C14H24N2O7/c1-5-4-6(17)14(20)13(21-5)22-12-10(19)7(15-2)9(18) CH$LINK: CAS 1695-77-8 CH$LINK: KEGG C02078 CH$LINK: NIKKAJI J7.562K -CH$LINK: PUBCHEM SID:5164 +CH$LINK: PUBCHEM CID:15541 CH$LINK: INCHIKEY UNFWWIHTNXNPBV-WXKVUWSESA-N CH$LINK: COMPTOX DTXSID9023592 AC$INSTRUMENT: LC/MSD Trap XCT, Agilent Technologies diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO009245.txt b/Keio_Univ/MSBNK-Keio_Univ-KO009245.txt index e1b2aaa264e..35145e89119 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO009245.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO009245.txt @@ -17,7 +17,7 @@ CH$LINK: CAS 32385-11-8 CH$LINK: CHEBI CHEBI:9169 CH$LINK: KEGG C00494 CH$LINK: NIKKAJI J342.544D -CH$LINK: PUBCHEM SID:3777 +CH$LINK: PUBCHEM CID:36119 CH$LINK: INCHIKEY URWAJWIAIPFPJE-YFMIWBNJSA-N AC$INSTRUMENT: LC/MSD Trap XCT, Agilent Technologies AC$INSTRUMENT_TYPE: LC-ESI-IT diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO009246.txt b/Keio_Univ/MSBNK-Keio_Univ-KO009246.txt index 3e453457d43..11a667dba17 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO009246.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO009246.txt @@ -18,7 +18,7 @@ CH$LINK: CAS 32385-11-8 CH$LINK: CHEBI CHEBI:9169 CH$LINK: KEGG C00494 CH$LINK: NIKKAJI J342.544D -CH$LINK: PUBCHEM SID:3777 +CH$LINK: PUBCHEM CID:36119 CH$LINK: INCHIKEY URWAJWIAIPFPJE-YFMIWBNJSA-N AC$INSTRUMENT: LC/MSD Trap XCT, Agilent Technologies AC$INSTRUMENT_TYPE: LC-ESI-IT diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO009247.txt b/Keio_Univ/MSBNK-Keio_Univ-KO009247.txt index 2c0a5aea468..74eb5d2958b 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO009247.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO009247.txt @@ -18,7 +18,7 @@ CH$LINK: CAS 32385-11-8 CH$LINK: CHEBI CHEBI:9169 CH$LINK: KEGG C00494 CH$LINK: NIKKAJI J342.544D -CH$LINK: PUBCHEM SID:3777 +CH$LINK: PUBCHEM CID:36119 CH$LINK: INCHIKEY URWAJWIAIPFPJE-YFMIWBNJSA-N AC$INSTRUMENT: LC/MSD Trap XCT, Agilent Technologies AC$INSTRUMENT_TYPE: LC-ESI-IT diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO009248.txt b/Keio_Univ/MSBNK-Keio_Univ-KO009248.txt index ea3219aa8d1..de677041e49 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO009248.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO009248.txt @@ -14,7 +14,7 @@ CH$IUPAC: InChI=1S/C6H15O9P/c7-1-3(8)5(10)6(11)4(9)2-15-16(12,13)14/h3-11H,1-2H2 CH$LINK: CAS 20479-58-7 CH$LINK: CHEBI CHEBI:17044 CH$LINK: KEGG C01096 -CH$LINK: PUBCHEM SID:4331 +CH$LINK: PUBCHEM CID:152306 CH$LINK: INCHIKEY GACTWZZMVMUKNG-SLPGGIOYSA-N AC$INSTRUMENT: LC/MSD Trap XCT, Agilent Technologies AC$INSTRUMENT_TYPE: LC-ESI-IT diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO009249.txt b/Keio_Univ/MSBNK-Keio_Univ-KO009249.txt index 27d1cb0de40..cb96b5fc263 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO009249.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO009249.txt @@ -15,7 +15,7 @@ CH$IUPAC: InChI=1S/C6H15O9P/c7-1-3(8)5(10)6(11)4(9)2-15-16(12,13)14/h3-11H,1-2H2 CH$LINK: CAS 20479-58-7 CH$LINK: CHEBI CHEBI:17044 CH$LINK: KEGG C01096 -CH$LINK: PUBCHEM SID:4331 +CH$LINK: PUBCHEM CID:152306 CH$LINK: INCHIKEY GACTWZZMVMUKNG-SLPGGIOYSA-N AC$INSTRUMENT: LC/MSD Trap XCT, Agilent Technologies AC$INSTRUMENT_TYPE: LC-ESI-IT diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO009250.txt b/Keio_Univ/MSBNK-Keio_Univ-KO009250.txt index f7053de9a06..aeffc8c0f69 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO009250.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO009250.txt @@ -15,7 +15,7 @@ CH$IUPAC: InChI=1S/C6H15O9P/c7-1-3(8)5(10)6(11)4(9)2-15-16(12,13)14/h3-11H,1-2H2 CH$LINK: CAS 20479-58-7 CH$LINK: CHEBI CHEBI:17044 CH$LINK: KEGG C01096 -CH$LINK: PUBCHEM SID:4331 +CH$LINK: PUBCHEM CID:152306 CH$LINK: INCHIKEY GACTWZZMVMUKNG-SLPGGIOYSA-N AC$INSTRUMENT: LC/MSD Trap XCT, Agilent Technologies AC$INSTRUMENT_TYPE: LC-ESI-IT diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO009251.txt b/Keio_Univ/MSBNK-Keio_Univ-KO009251.txt index ce82e79a976..0f668d42e3e 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO009251.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO009251.txt @@ -13,7 +13,7 @@ CH$IUPAC: InChI=1S/C9H9N3O2S2/c10-7-1-3-8(4-2-7)16(13,14)12-9-11-5-6-15-9/h1-6H, CH$LINK: CAS 72-14-0 CH$LINK: KEGG C11169 CH$LINK: NIKKAJI J1.425G -CH$LINK: PUBCHEM SID:13351 +CH$LINK: PUBCHEM CID:5340 CH$LINK: INCHIKEY JNMRHUJNCSQMMB-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID8026068 AC$INSTRUMENT: LC/MSD Trap XCT, Agilent Technologies diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO009252.txt b/Keio_Univ/MSBNK-Keio_Univ-KO009252.txt index 84fad31fbe7..058de29936b 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO009252.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO009252.txt @@ -14,7 +14,7 @@ CH$IUPAC: InChI=1S/C9H9N3O2S2/c10-7-1-3-8(4-2-7)16(13,14)12-9-11-5-6-15-9/h1-6H, CH$LINK: CAS 72-14-0 CH$LINK: KEGG C11169 CH$LINK: NIKKAJI J1.425G -CH$LINK: PUBCHEM SID:13351 +CH$LINK: PUBCHEM CID:5340 CH$LINK: INCHIKEY JNMRHUJNCSQMMB-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID8026068 AC$INSTRUMENT: LC/MSD Trap XCT, Agilent Technologies diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO009253.txt b/Keio_Univ/MSBNK-Keio_Univ-KO009253.txt index 08a7796b17c..1093c9b1d05 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO009253.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO009253.txt @@ -14,7 +14,7 @@ CH$IUPAC: InChI=1S/C9H9N3O2S2/c10-7-1-3-8(4-2-7)16(13,14)12-9-11-5-6-15-9/h1-6H, CH$LINK: CAS 72-14-0 CH$LINK: KEGG C11169 CH$LINK: NIKKAJI J1.425G -CH$LINK: PUBCHEM SID:13351 +CH$LINK: PUBCHEM CID:5340 CH$LINK: INCHIKEY JNMRHUJNCSQMMB-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID8026068 AC$INSTRUMENT: LC/MSD Trap XCT, Agilent Technologies diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO009254.txt b/Keio_Univ/MSBNK-Keio_Univ-KO009254.txt index 068ab937569..2819bacae87 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO009254.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO009254.txt @@ -14,7 +14,7 @@ CH$IUPAC: InChI=1S/C9H9N3O2S2/c10-7-1-3-8(4-2-7)16(13,14)12-9-11-5-6-15-9/h1-6H, CH$LINK: CAS 72-14-0 CH$LINK: KEGG C11169 CH$LINK: NIKKAJI J1.425G -CH$LINK: PUBCHEM SID:13351 +CH$LINK: PUBCHEM CID:5340 CH$LINK: INCHIKEY JNMRHUJNCSQMMB-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID8026068 AC$INSTRUMENT: LC/MSD Trap XCT, Agilent Technologies diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO009255.txt b/Keio_Univ/MSBNK-Keio_Univ-KO009255.txt index b0b3d70d085..559478a44eb 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO009255.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO009255.txt @@ -15,7 +15,7 @@ CH$IUPAC: InChI=1S/C15H17Cl2N3O2/c1-2-3-12-7-21-15(22-12,8-20-10-18-9-19-20)13-5 CH$LINK: CAS 60207-90-1 CH$LINK: KEGG C11121 CH$LINK: NIKKAJI J18.426H -CH$LINK: PUBCHEM SID:13303 +CH$LINK: PUBCHEM CID:43234 CH$LINK: INCHIKEY STJLVHWMYQXCPB-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID8024280 AC$INSTRUMENT: LC/MSD Trap XCT, Agilent Technologies diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO009256.txt b/Keio_Univ/MSBNK-Keio_Univ-KO009256.txt index 230f4c02119..361413f6edc 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO009256.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO009256.txt @@ -16,7 +16,7 @@ CH$IUPAC: InChI=1S/C15H17Cl2N3O2/c1-2-3-12-7-21-15(22-12,8-20-10-18-9-19-20)13-5 CH$LINK: CAS 60207-90-1 CH$LINK: KEGG C11121 CH$LINK: NIKKAJI J18.426H -CH$LINK: PUBCHEM SID:13303 +CH$LINK: PUBCHEM CID:43234 CH$LINK: INCHIKEY STJLVHWMYQXCPB-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID8024280 AC$INSTRUMENT: LC/MSD Trap XCT, Agilent Technologies diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO009257.txt b/Keio_Univ/MSBNK-Keio_Univ-KO009257.txt index 8f1375fa636..fc7f728bf78 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO009257.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO009257.txt @@ -16,7 +16,7 @@ CH$IUPAC: InChI=1S/C15H17Cl2N3O2/c1-2-3-12-7-21-15(22-12,8-20-10-18-9-19-20)13-5 CH$LINK: CAS 60207-90-1 CH$LINK: KEGG C11121 CH$LINK: NIKKAJI J18.426H -CH$LINK: PUBCHEM SID:13303 +CH$LINK: PUBCHEM CID:43234 CH$LINK: INCHIKEY STJLVHWMYQXCPB-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID8024280 AC$INSTRUMENT: LC/MSD Trap XCT, Agilent Technologies diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO009258.txt b/Keio_Univ/MSBNK-Keio_Univ-KO009258.txt index 04a240f2b5e..72c2f156570 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO009258.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO009258.txt @@ -13,7 +13,7 @@ CH$IUPAC: InChI=1S/C14H16ClN3O2/c1-14(2,3)12(19)13(18-9-16-8-17-18)20-11-6-4-10( CH$LINK: CAS 43121-43-3 CH$LINK: KEGG C11156 CH$LINK: NIKKAJI J1.896A -CH$LINK: PUBCHEM SID:13338 +CH$LINK: PUBCHEM CID:39385 CH$LINK: INCHIKEY WURBVZBTWMNKQT-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID3023897 AC$INSTRUMENT: LC/MSD Trap XCT, Agilent Technologies diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO009259.txt b/Keio_Univ/MSBNK-Keio_Univ-KO009259.txt index 5dd1bc05cc8..70d10f5af95 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO009259.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO009259.txt @@ -14,7 +14,7 @@ CH$IUPAC: InChI=1S/C14H16ClN3O2/c1-14(2,3)12(19)13(18-9-16-8-17-18)20-11-6-4-10( CH$LINK: CAS 43121-43-3 CH$LINK: KEGG C11156 CH$LINK: NIKKAJI J1.896A -CH$LINK: PUBCHEM SID:13338 +CH$LINK: PUBCHEM CID:39385 CH$LINK: INCHIKEY WURBVZBTWMNKQT-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID3023897 AC$INSTRUMENT: LC/MSD Trap XCT, Agilent Technologies diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO009260.txt b/Keio_Univ/MSBNK-Keio_Univ-KO009260.txt index c127a58bbd8..40b75818169 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO009260.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO009260.txt @@ -14,7 +14,7 @@ CH$IUPAC: InChI=1S/C14H16ClN3O2/c1-14(2,3)12(19)13(18-9-16-8-17-18)20-11-6-4-10( CH$LINK: CAS 43121-43-3 CH$LINK: KEGG C11156 CH$LINK: NIKKAJI J1.896A -CH$LINK: PUBCHEM SID:13338 +CH$LINK: PUBCHEM CID:39385 CH$LINK: INCHIKEY WURBVZBTWMNKQT-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID3023897 AC$INSTRUMENT: LC/MSD Trap XCT, Agilent Technologies diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO009261.txt b/Keio_Univ/MSBNK-Keio_Univ-KO009261.txt index 341a01665a2..1c927eb91f5 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO009261.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO009261.txt @@ -14,7 +14,7 @@ CH$IUPAC: InChI=1S/C14H16ClN3O2/c1-14(2,3)12(19)13(18-9-16-8-17-18)20-11-6-4-10( CH$LINK: CAS 43121-43-3 CH$LINK: KEGG C11156 CH$LINK: NIKKAJI J1.896A -CH$LINK: PUBCHEM SID:13338 +CH$LINK: PUBCHEM CID:39385 CH$LINK: INCHIKEY WURBVZBTWMNKQT-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID3023897 AC$INSTRUMENT: LC/MSD Trap XCT, Agilent Technologies diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO009262.txt b/Keio_Univ/MSBNK-Keio_Univ-KO009262.txt index b0a7884a764..8e05cf5f535 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO009262.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO009262.txt @@ -14,7 +14,7 @@ CH$IUPAC: InChI=1S/C14H16ClN3O2/c1-14(2,3)12(19)13(18-9-16-8-17-18)20-11-6-4-10( CH$LINK: CAS 43121-43-3 CH$LINK: KEGG C11156 CH$LINK: NIKKAJI J1.896A -CH$LINK: PUBCHEM SID:13338 +CH$LINK: PUBCHEM CID:39385 CH$LINK: INCHIKEY WURBVZBTWMNKQT-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID3023897 AC$INSTRUMENT: LC/MSD Trap XCT, Agilent Technologies diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO009263.txt b/Keio_Univ/MSBNK-Keio_Univ-KO009263.txt index 9b2350baf0d..74c2da2c7b2 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO009263.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO009263.txt @@ -13,7 +13,7 @@ CH$IUPAC: InChI=1S/C21H24F3N3S/c1-25-11-13-26(14-12-25)9-4-10-27-17-5-2-3-6-19(1 CH$LINK: CAS 117-89-5 CH$LINK: KEGG C07168 CH$LINK: NIKKAJI J5.293K -CH$LINK: PUBCHEM SID:9377 +CH$LINK: PUBCHEM CID:5566 CH$LINK: INCHIKEY ZEWQUBUPAILYHI-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID1046928 AC$INSTRUMENT: LC/MSD Trap XCT, Agilent Technologies diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO009264.txt b/Keio_Univ/MSBNK-Keio_Univ-KO009264.txt index e1912ac056a..3e24e5aa7c0 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO009264.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO009264.txt @@ -14,7 +14,7 @@ CH$IUPAC: InChI=1S/C21H24F3N3S/c1-25-11-13-26(14-12-25)9-4-10-27-17-5-2-3-6-19(1 CH$LINK: CAS 117-89-5 CH$LINK: KEGG C07168 CH$LINK: NIKKAJI J5.293K -CH$LINK: PUBCHEM SID:9377 +CH$LINK: PUBCHEM CID:5566 CH$LINK: INCHIKEY ZEWQUBUPAILYHI-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID1046928 AC$INSTRUMENT: LC/MSD Trap XCT, Agilent Technologies diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO009265.txt b/Keio_Univ/MSBNK-Keio_Univ-KO009265.txt index 0c2c8672660..8635bc16a8d 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO009265.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO009265.txt @@ -13,7 +13,7 @@ CH$IUPAC: InChI=1S/C16H13Cl3N2OS/c17-12-1-2-13(14(18)7-12)15(8-21-5-4-20-10-21)2 CH$LINK: CAS 65899-73-2 CH$LINK: KEGG C08082 CH$LINK: NIKKAJI J3.525D -CH$LINK: PUBCHEM SID:10282 +CH$LINK: PUBCHEM CID:5482 CH$LINK: INCHIKEY QXHHHPZILQDDPS-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID3046619 AC$INSTRUMENT: LC/MSD Trap XCT, Agilent Technologies diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO009266.txt b/Keio_Univ/MSBNK-Keio_Univ-KO009266.txt index ef7a5529cda..11558aa99c2 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO009266.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO009266.txt @@ -14,7 +14,7 @@ CH$IUPAC: InChI=1S/C16H13Cl3N2OS/c17-12-1-2-13(14(18)7-12)15(8-21-5-4-20-10-21)2 CH$LINK: CAS 65899-73-2 CH$LINK: KEGG C08082 CH$LINK: NIKKAJI J3.525D -CH$LINK: PUBCHEM SID:10282 +CH$LINK: PUBCHEM CID:5482 CH$LINK: INCHIKEY QXHHHPZILQDDPS-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID3046619 AC$INSTRUMENT: LC/MSD Trap XCT, Agilent Technologies diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO009272.txt b/Keio_Univ/MSBNK-Keio_Univ-KO009272.txt index 990a1b171fd..68880a93159 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO009272.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO009272.txt @@ -15,7 +15,7 @@ CH$LINK: CAS 50-89-5 CH$LINK: CHEBI CHEBI:17748 CH$LINK: KEGG C00214 CH$LINK: NIKKAJI J4.548I -CH$LINK: PUBCHEM SID:3514 +CH$LINK: PUBCHEM CID:5789 CH$LINK: INCHIKEY IQFYYKKMVGJFEH-XLPZGREQSA-N CH$LINK: COMPTOX DTXSID5023661 AC$INSTRUMENT: LC/MSD Trap XCT, Agilent Technologies diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO009273.txt b/Keio_Univ/MSBNK-Keio_Univ-KO009273.txt index d002b7c094a..7a90d5862fb 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO009273.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO009273.txt @@ -16,7 +16,7 @@ CH$LINK: CAS 50-89-5 CH$LINK: CHEBI CHEBI:17748 CH$LINK: KEGG C00214 CH$LINK: NIKKAJI J4.548I -CH$LINK: PUBCHEM SID:3514 +CH$LINK: PUBCHEM CID:5789 CH$LINK: INCHIKEY IQFYYKKMVGJFEH-XLPZGREQSA-N CH$LINK: COMPTOX DTXSID5023661 AC$INSTRUMENT: LC/MSD Trap XCT, Agilent Technologies diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO009274.txt b/Keio_Univ/MSBNK-Keio_Univ-KO009274.txt index a1b807a06e0..becd0bcff88 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO009274.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO009274.txt @@ -16,7 +16,7 @@ CH$LINK: CAS 50-89-5 CH$LINK: CHEBI CHEBI:17748 CH$LINK: KEGG C00214 CH$LINK: NIKKAJI J4.548I -CH$LINK: PUBCHEM SID:3514 +CH$LINK: PUBCHEM CID:5789 CH$LINK: INCHIKEY IQFYYKKMVGJFEH-XLPZGREQSA-N CH$LINK: COMPTOX DTXSID5023661 AC$INSTRUMENT: LC/MSD Trap XCT, Agilent Technologies diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO009275.txt b/Keio_Univ/MSBNK-Keio_Univ-KO009275.txt index 10d0e8498d0..0bc45588496 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO009275.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO009275.txt @@ -16,7 +16,7 @@ CH$LINK: CAS 50-89-5 CH$LINK: CHEBI CHEBI:17748 CH$LINK: KEGG C00214 CH$LINK: NIKKAJI J4.548I -CH$LINK: PUBCHEM SID:3514 +CH$LINK: PUBCHEM CID:5789 CH$LINK: INCHIKEY IQFYYKKMVGJFEH-XLPZGREQSA-N CH$LINK: COMPTOX DTXSID5023661 AC$INSTRUMENT: LC/MSD Trap XCT, Agilent Technologies diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO009277.txt b/Keio_Univ/MSBNK-Keio_Univ-KO009277.txt index eb4a94b661a..d8b2ea7feaf 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO009277.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO009277.txt @@ -13,7 +13,7 @@ CH$IUPAC: InChI=1S/C14H18N4O3/c1-19-10-5-8(6-11(20-2)12(10)21-3)4-9-7-17-14(16)1 CH$LINK: CAS 738-70-5 CH$LINK: KEGG C01965 CH$LINK: NIKKAJI J9.454D -CH$LINK: PUBCHEM SID:5066 +CH$LINK: PUBCHEM CID:5578 CH$LINK: INCHIKEY IEDVJHCEMCRBQM-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID3023712 AC$INSTRUMENT: LC/MSD Trap XCT, Agilent Technologies diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO009278.txt b/Keio_Univ/MSBNK-Keio_Univ-KO009278.txt index bffba32bcae..e8e5d6c410e 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO009278.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO009278.txt @@ -14,7 +14,7 @@ CH$IUPAC: InChI=1S/C14H18N4O3/c1-19-10-5-8(6-11(20-2)12(10)21-3)4-9-7-17-14(16)1 CH$LINK: CAS 738-70-5 CH$LINK: KEGG C01965 CH$LINK: NIKKAJI J9.454D -CH$LINK: PUBCHEM SID:5066 +CH$LINK: PUBCHEM CID:5578 CH$LINK: INCHIKEY IEDVJHCEMCRBQM-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID3023712 AC$INSTRUMENT: LC/MSD Trap XCT, Agilent Technologies diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO009279.txt b/Keio_Univ/MSBNK-Keio_Univ-KO009279.txt index f51df3d61fa..5f3877b5360 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO009279.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO009279.txt @@ -14,7 +14,7 @@ CH$IUPAC: InChI=1S/C14H18N4O3/c1-19-10-5-8(6-11(20-2)12(10)21-3)4-9-7-17-14(16)1 CH$LINK: CAS 738-70-5 CH$LINK: KEGG C01965 CH$LINK: NIKKAJI J9.454D -CH$LINK: PUBCHEM SID:5066 +CH$LINK: PUBCHEM CID:5578 CH$LINK: INCHIKEY IEDVJHCEMCRBQM-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID3023712 AC$INSTRUMENT: LC/MSD Trap XCT, Agilent Technologies diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO009280.txt b/Keio_Univ/MSBNK-Keio_Univ-KO009280.txt index 143fe0ae096..626f58c2880 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO009280.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO009280.txt @@ -14,7 +14,7 @@ CH$IUPAC: InChI=1S/C14H18N4O3/c1-19-10-5-8(6-11(20-2)12(10)21-3)4-9-7-17-14(16)1 CH$LINK: CAS 738-70-5 CH$LINK: KEGG C01965 CH$LINK: NIKKAJI J9.454D -CH$LINK: PUBCHEM SID:5066 +CH$LINK: PUBCHEM CID:5578 CH$LINK: INCHIKEY IEDVJHCEMCRBQM-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID3023712 AC$INSTRUMENT: LC/MSD Trap XCT, Agilent Technologies diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO009281.txt b/Keio_Univ/MSBNK-Keio_Univ-KO009281.txt index 072a14ba000..d5e05f5c368 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO009281.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO009281.txt @@ -14,7 +14,7 @@ CH$IUPAC: InChI=1S/C14H18N4O3/c1-19-10-5-8(6-11(20-2)12(10)21-3)4-9-7-17-14(16)1 CH$LINK: CAS 738-70-5 CH$LINK: KEGG C01965 CH$LINK: NIKKAJI J9.454D -CH$LINK: PUBCHEM SID:5066 +CH$LINK: PUBCHEM CID:5578 CH$LINK: INCHIKEY IEDVJHCEMCRBQM-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID3023712 AC$INSTRUMENT: LC/MSD Trap XCT, Agilent Technologies diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO009282.txt b/Keio_Univ/MSBNK-Keio_Univ-KO009282.txt index d22799b3fa7..77d593ea3f5 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO009282.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO009282.txt @@ -14,7 +14,7 @@ CH$IUPAC: InChI=1S/C14H18N4O3/c1-19-10-5-8(6-11(20-2)12(10)21-3)4-9-7-17-14(16)1 CH$LINK: CAS 738-70-5 CH$LINK: KEGG C01965 CH$LINK: NIKKAJI J9.454D -CH$LINK: PUBCHEM SID:5066 +CH$LINK: PUBCHEM CID:5578 CH$LINK: INCHIKEY IEDVJHCEMCRBQM-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID3023712 AC$INSTRUMENT: LC/MSD Trap XCT, Agilent Technologies diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO009288.txt b/Keio_Univ/MSBNK-Keio_Univ-KO009288.txt index d823d682b68..1df70235f4f 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO009288.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO009288.txt @@ -13,7 +13,7 @@ CH$IUPAC: InChI=1S/C15H15NO3/c1-10-3-5-11(6-4-10)15(19)13-8-7-12(16(13)2)9-14(17 CH$LINK: CAS 26171-23-3 CH$LINK: KEGG C07149 CH$LINK: NIKKAJI J20.519B -CH$LINK: PUBCHEM SID:9358 +CH$LINK: PUBCHEM CID:5509 CH$LINK: INCHIKEY UPSPUYADGBWSHF-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID2043951 AC$INSTRUMENT: LC/MSD Trap XCT, Agilent Technologies diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO009289.txt b/Keio_Univ/MSBNK-Keio_Univ-KO009289.txt index 46023960897..f0b4c09a032 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO009289.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO009289.txt @@ -14,7 +14,7 @@ CH$IUPAC: InChI=1S/C15H15NO3/c1-10-3-5-11(6-4-10)15(19)13-8-7-12(16(13)2)9-14(17 CH$LINK: CAS 26171-23-3 CH$LINK: KEGG C07149 CH$LINK: NIKKAJI J20.519B -CH$LINK: PUBCHEM SID:9358 +CH$LINK: PUBCHEM CID:5509 CH$LINK: INCHIKEY UPSPUYADGBWSHF-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID2043951 AC$INSTRUMENT: LC/MSD Trap XCT, Agilent Technologies diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO009290.txt b/Keio_Univ/MSBNK-Keio_Univ-KO009290.txt index 0586bb010d5..3d547d73a7e 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO009290.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO009290.txt @@ -12,7 +12,7 @@ CH$EXACT_MASS: 203.10586 CH$SMILES: C1=CC=C2C(=C1)C(=CN2)C[C@@H](C(=O)N)N CH$IUPAC: InChI=1S/C11H13N3O/c12-9(11(13)15)5-7-6-14-10-4-2-1-3-8(7)10/h1-4,6,9,14H,5,12H2,(H2,13,15)/t9-/m0/s1 CH$LINK: KEGG C00977 -CH$LINK: PUBCHEM SID:4226 +CH$LINK: PUBCHEM CID:439356 CH$LINK: INCHIKEY JLSKPBDKNIXMBS-VIFPVBQESA-N AC$INSTRUMENT: LC/MSD Trap XCT, Agilent Technologies AC$INSTRUMENT_TYPE: LC-ESI-IT diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO009291.txt b/Keio_Univ/MSBNK-Keio_Univ-KO009291.txt index 3298868fc87..266e818d382 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO009291.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO009291.txt @@ -13,7 +13,7 @@ CH$EXACT_MASS: 203.10586 CH$SMILES: C1=CC=C2C(=C1)C(=CN2)C[C@@H](C(=O)N)N CH$IUPAC: InChI=1S/C11H13N3O/c12-9(11(13)15)5-7-6-14-10-4-2-1-3-8(7)10/h1-4,6,9,14H,5,12H2,(H2,13,15)/t9-/m0/s1 CH$LINK: KEGG C00977 -CH$LINK: PUBCHEM SID:4226 +CH$LINK: PUBCHEM CID:439356 CH$LINK: INCHIKEY JLSKPBDKNIXMBS-VIFPVBQESA-N AC$INSTRUMENT: LC/MSD Trap XCT, Agilent Technologies AC$INSTRUMENT_TYPE: LC-ESI-IT diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO009292.txt b/Keio_Univ/MSBNK-Keio_Univ-KO009292.txt index 8cd998f9048..c96b582ac4b 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO009292.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO009292.txt @@ -13,7 +13,7 @@ CH$EXACT_MASS: 203.10586 CH$SMILES: C1=CC=C2C(=C1)C(=CN2)C[C@@H](C(=O)N)N CH$IUPAC: InChI=1S/C11H13N3O/c12-9(11(13)15)5-7-6-14-10-4-2-1-3-8(7)10/h1-4,6,9,14H,5,12H2,(H2,13,15)/t9-/m0/s1 CH$LINK: KEGG C00977 -CH$LINK: PUBCHEM SID:4226 +CH$LINK: PUBCHEM CID:439356 CH$LINK: INCHIKEY JLSKPBDKNIXMBS-VIFPVBQESA-N AC$INSTRUMENT: LC/MSD Trap XCT, Agilent Technologies AC$INSTRUMENT_TYPE: LC-ESI-IT diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO009293.txt b/Keio_Univ/MSBNK-Keio_Univ-KO009293.txt index 56b242bc8bc..5261b265896 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO009293.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO009293.txt @@ -13,7 +13,7 @@ CH$EXACT_MASS: 203.10586 CH$SMILES: C1=CC=C2C(=C1)C(=CN2)C[C@@H](C(=O)N)N CH$IUPAC: InChI=1S/C11H13N3O/c12-9(11(13)15)5-7-6-14-10-4-2-1-3-8(7)10/h1-4,6,9,14H,5,12H2,(H2,13,15)/t9-/m0/s1 CH$LINK: KEGG C00977 -CH$LINK: PUBCHEM SID:4226 +CH$LINK: PUBCHEM CID:439356 CH$LINK: INCHIKEY JLSKPBDKNIXMBS-VIFPVBQESA-N AC$INSTRUMENT: LC/MSD Trap XCT, Agilent Technologies AC$INSTRUMENT_TYPE: LC-ESI-IT diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO009294.txt b/Keio_Univ/MSBNK-Keio_Univ-KO009294.txt index 1b978efe865..c85cc12d43d 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO009294.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO009294.txt @@ -18,7 +18,7 @@ CH$LINK: CAS 59-43-8 CH$LINK: CHEBI CHEBI:18385 CH$LINK: KEGG C00378 CH$LINK: NIKKAJI J203.781E -CH$LINK: PUBCHEM SID:3668 +CH$LINK: PUBCHEM CID:1130 CH$LINK: INCHIKEY JZRWCGZRTZMZEH-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID50220251 AC$INSTRUMENT: LC/MSD Trap XCT, Agilent Technologies diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO009295.txt b/Keio_Univ/MSBNK-Keio_Univ-KO009295.txt index 76988652447..3457d34c18a 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO009295.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO009295.txt @@ -19,7 +19,7 @@ CH$LINK: CAS 59-43-8 CH$LINK: CHEBI CHEBI:18385 CH$LINK: KEGG C00378 CH$LINK: NIKKAJI J203.781E -CH$LINK: PUBCHEM SID:3668 +CH$LINK: PUBCHEM CID:1130 CH$LINK: INCHIKEY JZRWCGZRTZMZEH-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID50220251 AC$INSTRUMENT: LC/MSD Trap XCT, Agilent Technologies diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO009296.txt b/Keio_Univ/MSBNK-Keio_Univ-KO009296.txt index 5f734e603aa..3d280f336ae 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO009296.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO009296.txt @@ -19,7 +19,7 @@ CH$LINK: CAS 59-43-8 CH$LINK: CHEBI CHEBI:18385 CH$LINK: KEGG C00378 CH$LINK: NIKKAJI J203.781E -CH$LINK: PUBCHEM SID:3668 +CH$LINK: PUBCHEM CID:1130 CH$LINK: INCHIKEY JZRWCGZRTZMZEH-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID50220251 AC$INSTRUMENT: LC/MSD Trap XCT, Agilent Technologies diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO009297.txt b/Keio_Univ/MSBNK-Keio_Univ-KO009297.txt index e40b17b2ab5..6622e571d5e 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO009297.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO009297.txt @@ -18,7 +18,7 @@ CH$LINK: CAS 532-40-1 CH$LINK: CHEBI CHEBI:18338 CH$LINK: KEGG C01081 CH$LINK: NIKKAJI J244.613H -CH$LINK: PUBCHEM SID:4319 +CH$LINK: PUBCHEM CID:1131 CH$LINK: INCHIKEY HZSAJDVWZRBGIF-UHFFFAOYSA-O CH$LINK: COMPTOX DTXSID6048389 AC$INSTRUMENT: LC/MSD Trap XCT, Agilent Technologies diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO009298.txt b/Keio_Univ/MSBNK-Keio_Univ-KO009298.txt index 29464e12ba3..81b1729b8a0 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO009298.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO009298.txt @@ -19,7 +19,7 @@ CH$LINK: CAS 532-40-1 CH$LINK: CHEBI CHEBI:18338 CH$LINK: KEGG C01081 CH$LINK: NIKKAJI J244.613H -CH$LINK: PUBCHEM SID:4319 +CH$LINK: PUBCHEM CID:1131 CH$LINK: INCHIKEY HZSAJDVWZRBGIF-UHFFFAOYSA-O CH$LINK: COMPTOX DTXSID6048389 AC$INSTRUMENT: LC/MSD Trap XCT, Agilent Technologies diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO009299.txt b/Keio_Univ/MSBNK-Keio_Univ-KO009299.txt index 934a0f92938..176922b9b09 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO009299.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO009299.txt @@ -19,7 +19,7 @@ CH$LINK: CAS 532-40-1 CH$LINK: CHEBI CHEBI:18338 CH$LINK: KEGG C01081 CH$LINK: NIKKAJI J244.613H -CH$LINK: PUBCHEM SID:4319 +CH$LINK: PUBCHEM CID:1131 CH$LINK: INCHIKEY HZSAJDVWZRBGIF-UHFFFAOYSA-O CH$LINK: COMPTOX DTXSID6048389 AC$INSTRUMENT: LC/MSD Trap XCT, Agilent Technologies diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO009300.txt b/Keio_Univ/MSBNK-Keio_Univ-KO009300.txt index f5f0fc908d3..136fc25ed09 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO009300.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO009300.txt @@ -19,7 +19,7 @@ CH$LINK: CAS 532-40-1 CH$LINK: CHEBI CHEBI:18338 CH$LINK: KEGG C01081 CH$LINK: NIKKAJI J244.613H -CH$LINK: PUBCHEM SID:4319 +CH$LINK: PUBCHEM CID:1131 CH$LINK: INCHIKEY HZSAJDVWZRBGIF-UHFFFAOYSA-O CH$LINK: COMPTOX DTXSID6048389 AC$INSTRUMENT: LC/MSD Trap XCT, Agilent Technologies diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO009301.txt b/Keio_Univ/MSBNK-Keio_Univ-KO009301.txt index ea2d142d5df..170225bf28b 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO009301.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO009301.txt @@ -14,7 +14,7 @@ CH$IUPAC: InChI=1S/C12H23O14P/c13-1-3-5(14)7(16)9(18)11(24-3)26-12-10(19)8(17)6( CH$LINK: CAS 4484-88-2 CH$LINK: CHEBI CHEBI:18283 CH$LINK: KEGG C00689 -CH$LINK: PUBCHEM SID:3958 +CH$LINK: PUBCHEM CID:122336 CH$LINK: INCHIKEY LABSPYBHMPDTEL-LIZSDCNHSA-N AC$INSTRUMENT: LC/MSD Trap XCT, Agilent Technologies AC$INSTRUMENT_TYPE: LC-ESI-IT diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO009302.txt b/Keio_Univ/MSBNK-Keio_Univ-KO009302.txt index e0990d007dd..b0023280b49 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO009302.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO009302.txt @@ -15,7 +15,7 @@ CH$IUPAC: InChI=1S/C12H23O14P/c13-1-3-5(14)7(16)9(18)11(24-3)26-12-10(19)8(17)6( CH$LINK: CAS 4484-88-2 CH$LINK: CHEBI CHEBI:18283 CH$LINK: KEGG C00689 -CH$LINK: PUBCHEM SID:3958 +CH$LINK: PUBCHEM CID:122336 CH$LINK: INCHIKEY LABSPYBHMPDTEL-LIZSDCNHSA-N AC$INSTRUMENT: LC/MSD Trap XCT, Agilent Technologies AC$INSTRUMENT_TYPE: LC-ESI-IT diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO009307.txt b/Keio_Univ/MSBNK-Keio_Univ-KO009307.txt index 28301801b88..177272e94b8 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO009307.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO009307.txt @@ -14,7 +14,7 @@ CH$LINK: CAS 58-96-8 CH$LINK: CHEBI CHEBI:16704 CH$LINK: KEGG C00299 CH$LINK: NIKKAJI J4.593D -CH$LINK: PUBCHEM SID:3593 +CH$LINK: PUBCHEM CID:6029 CH$LINK: INCHIKEY DRTQHJPVMGBUCF-XVFCMESISA-N CH$LINK: COMPTOX DTXSID40891555 AC$INSTRUMENT: LC/MSD Trap XCT, Agilent Technologies diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO009308.txt b/Keio_Univ/MSBNK-Keio_Univ-KO009308.txt index 1ed6dde1e81..27c4bfdc820 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO009308.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO009308.txt @@ -15,7 +15,7 @@ CH$LINK: CAS 58-96-8 CH$LINK: CHEBI CHEBI:16704 CH$LINK: KEGG C00299 CH$LINK: NIKKAJI J4.593D -CH$LINK: PUBCHEM SID:3593 +CH$LINK: PUBCHEM CID:6029 CH$LINK: INCHIKEY DRTQHJPVMGBUCF-XVFCMESISA-N CH$LINK: COMPTOX DTXSID40891555 AC$INSTRUMENT: LC/MSD Trap XCT, Agilent Technologies diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO009309.txt b/Keio_Univ/MSBNK-Keio_Univ-KO009309.txt index 9c54ea8b4c0..35de1c384c5 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO009309.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO009309.txt @@ -14,7 +14,7 @@ CH$IUPAC: InChI=1S/C12H20N4O2/c1-14(2)10-13-11(17)16(12(18)15(10)3)9-7-5-4-6-8-9 CH$LINK: CAS 51235-04-2 CH$LINK: KEGG C10926 CH$LINK: NIKKAJI J11.187B -CH$LINK: PUBCHEM SID:13109 +CH$LINK: PUBCHEM CID:39965 CH$LINK: INCHIKEY CAWXEEYDBZRFPE-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID4024145 AC$INSTRUMENT: LC/MSD Trap XCT, Agilent Technologies diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO009310.txt b/Keio_Univ/MSBNK-Keio_Univ-KO009310.txt index 60c348c98dc..7177692e334 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO009310.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO009310.txt @@ -15,7 +15,7 @@ CH$IUPAC: InChI=1S/C12H20N4O2/c1-14(2)10-13-11(17)16(12(18)15(10)3)9-7-5-4-6-8-9 CH$LINK: CAS 51235-04-2 CH$LINK: KEGG C10926 CH$LINK: NIKKAJI J11.187B -CH$LINK: PUBCHEM SID:13109 +CH$LINK: PUBCHEM CID:39965 CH$LINK: INCHIKEY CAWXEEYDBZRFPE-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID4024145 AC$INSTRUMENT: LC/MSD Trap XCT, Agilent Technologies diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO009311.txt b/Keio_Univ/MSBNK-Keio_Univ-KO009311.txt index 0656cc7ed47..d87f54b3e29 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO009311.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO009311.txt @@ -13,7 +13,7 @@ CH$IUPAC: InChI=1S/C27H38N2O4/c1-20(2)27(19-28,22-10-12-24(31-5)26(18-22)33-7)14 CH$LINK: CAS 52-53-9 CH$LINK: KEGG C07188 CH$LINK: NIKKAJI J4.132G -CH$LINK: PUBCHEM SID:9397 +CH$LINK: PUBCHEM CID:2520 CH$LINK: INCHIKEY SGTNSNPWRIOYBX-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID9041152 AC$INSTRUMENT: LC/MSD Trap XCT, Agilent Technologies diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO009312.txt b/Keio_Univ/MSBNK-Keio_Univ-KO009312.txt index f951e5ee212..a0e8ede3a4c 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO009312.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO009312.txt @@ -14,7 +14,7 @@ CH$IUPAC: InChI=1S/C27H38N2O4/c1-20(2)27(19-28,22-10-12-24(31-5)26(18-22)33-7)14 CH$LINK: CAS 52-53-9 CH$LINK: KEGG C07188 CH$LINK: NIKKAJI J4.132G -CH$LINK: PUBCHEM SID:9397 +CH$LINK: PUBCHEM CID:2520 CH$LINK: INCHIKEY SGTNSNPWRIOYBX-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID9041152 AC$INSTRUMENT: LC/MSD Trap XCT, Agilent Technologies diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO009313.txt b/Keio_Univ/MSBNK-Keio_Univ-KO009313.txt index 6f99e4f4772..74b73ee8624 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO009313.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO009313.txt @@ -14,7 +14,7 @@ CH$IUPAC: InChI=1S/C27H38N2O4/c1-20(2)27(19-28,22-10-12-24(31-5)26(18-22)33-7)14 CH$LINK: CAS 52-53-9 CH$LINK: KEGG C07188 CH$LINK: NIKKAJI J4.132G -CH$LINK: PUBCHEM SID:9397 +CH$LINK: PUBCHEM CID:2520 CH$LINK: INCHIKEY SGTNSNPWRIOYBX-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID9041152 AC$INSTRUMENT: LC/MSD Trap XCT, Agilent Technologies diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO009314.txt b/Keio_Univ/MSBNK-Keio_Univ-KO009314.txt index dfa4a003c1f..dfe6e7d4281 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO009314.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO009314.txt @@ -14,7 +14,7 @@ CH$IUPAC: InChI=1S/C27H38N2O4/c1-20(2)27(19-28,22-10-12-24(31-5)26(18-22)33-7)14 CH$LINK: CAS 52-53-9 CH$LINK: KEGG C07188 CH$LINK: NIKKAJI J4.132G -CH$LINK: PUBCHEM SID:9397 +CH$LINK: PUBCHEM CID:2520 CH$LINK: INCHIKEY SGTNSNPWRIOYBX-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID9041152 AC$INSTRUMENT: LC/MSD Trap XCT, Agilent Technologies diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO009315.txt b/Keio_Univ/MSBNK-Keio_Univ-KO009315.txt index 85f472fd2c3..d72cdd2773d 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO009315.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO009315.txt @@ -14,7 +14,7 @@ CH$IUPAC: InChI=1S/C27H38N2O4/c1-20(2)27(19-28,22-10-12-24(31-5)26(18-22)33-7)14 CH$LINK: CAS 52-53-9 CH$LINK: KEGG C07188 CH$LINK: NIKKAJI J4.132G -CH$LINK: PUBCHEM SID:9397 +CH$LINK: PUBCHEM CID:2520 CH$LINK: INCHIKEY SGTNSNPWRIOYBX-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID9041152 AC$INSTRUMENT: LC/MSD Trap XCT, Agilent Technologies diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO009316.txt b/Keio_Univ/MSBNK-Keio_Univ-KO009316.txt index 89999b84049..bcbfc8903a9 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO009316.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO009316.txt @@ -14,7 +14,7 @@ CH$IUPAC: InChI=1S/C9H13N3O3/c10-7-3-4-12(9(14)11-7)8-2-1-6(5-13)15-8/h3-4,6,8,1 CH$LINK: CAS 7481-89-2 CH$LINK: KEGG C07207 CH$LINK: NIKKAJI J277.119E -CH$LINK: PUBCHEM SID:9416 +CH$LINK: PUBCHEM CID:24066 CH$LINK: INCHIKEY WREGKURFCTUGRC-POYBYMJQSA-N CH$LINK: COMPTOX DTXSID0023747 AC$INSTRUMENT: LC/MSD Trap XCT, Agilent Technologies diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO009317.txt b/Keio_Univ/MSBNK-Keio_Univ-KO009317.txt index 7e6198a7ee5..28f5c5ec8fe 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO009317.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO009317.txt @@ -17,7 +17,7 @@ CH$LINK: CAS 1637-39-4 CH$LINK: CHEBI CHEBI:16522 CH$LINK: KEGG C00371 CH$LINK: NIKKAJI J7.540J -CH$LINK: PUBCHEM SID:3661 +CH$LINK: PUBCHEM CID:449093 CH$LINK: INCHIKEY UZKQTCBAMSWPJD-FARCUNLSSA-N CH$LINK: COMPTOX DTXSID9040631 AC$INSTRUMENT: LC/MSD Trap XCT, Agilent Technologies diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO009318.txt b/Keio_Univ/MSBNK-Keio_Univ-KO009318.txt index 6a89b529b22..ccf663b8e39 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO009318.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO009318.txt @@ -18,7 +18,7 @@ CH$LINK: CAS 1637-39-4 CH$LINK: CHEBI CHEBI:16522 CH$LINK: KEGG C00371 CH$LINK: NIKKAJI J7.540J -CH$LINK: PUBCHEM SID:3661 +CH$LINK: PUBCHEM CID:449093 CH$LINK: INCHIKEY UZKQTCBAMSWPJD-FARCUNLSSA-N CH$LINK: COMPTOX DTXSID9040631 AC$INSTRUMENT: LC/MSD Trap XCT, Agilent Technologies diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO009319.txt b/Keio_Univ/MSBNK-Keio_Univ-KO009319.txt index 7e1af7f560a..affe695b77a 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO009319.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO009319.txt @@ -18,7 +18,7 @@ CH$LINK: CAS 1637-39-4 CH$LINK: CHEBI CHEBI:16522 CH$LINK: KEGG C00371 CH$LINK: NIKKAJI J7.540J -CH$LINK: PUBCHEM SID:3661 +CH$LINK: PUBCHEM CID:449093 CH$LINK: INCHIKEY UZKQTCBAMSWPJD-FARCUNLSSA-N CH$LINK: COMPTOX DTXSID9040631 AC$INSTRUMENT: LC/MSD Trap XCT, Agilent Technologies diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO009320.txt b/Keio_Univ/MSBNK-Keio_Univ-KO009320.txt index 94349dacee7..849f5c0a1e6 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO009320.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO009320.txt @@ -18,7 +18,7 @@ CH$LINK: CAS 1637-39-4 CH$LINK: CHEBI CHEBI:16522 CH$LINK: KEGG C00371 CH$LINK: NIKKAJI J7.540J -CH$LINK: PUBCHEM SID:3661 +CH$LINK: PUBCHEM CID:449093 CH$LINK: INCHIKEY UZKQTCBAMSWPJD-FARCUNLSSA-N CH$LINK: COMPTOX DTXSID9040631 AC$INSTRUMENT: LC/MSD Trap XCT, Agilent Technologies diff --git a/NAIST/MSBNK-NAIST-KNA00001.txt b/NAIST/MSBNK-NAIST-KNA00001.txt index 98506acc33f..fc4875558a3 100644 --- a/NAIST/MSBNK-NAIST-KNA00001.txt +++ b/NAIST/MSBNK-NAIST-KNA00001.txt @@ -15,11 +15,11 @@ CH$SMILES: CCC(N)C(O)=O CH$IUPAC: InChI=1S/C4H9NO2/c1-2-3(5)4(6)7/h3H,2,5H2,1H3,(H,6,7)/t3-/m1/s1 CH$LINK: CAS 2623-91-8 CH$LINK: CHEBI CHEBI:28797 -CH$LINK: HMDB HMDB00650 +CH$LINK: HMDB HMDB0000650 CH$LINK: KEGG C02261 CH$LINK: LIPIDMAPS LMFA01100043 CH$LINK: NIKKAJI J1.815E -CH$LINK: PUBCHEM SID:5323 +CH$LINK: PUBCHEM CID:439691 CH$LINK: INCHIKEY QWCKQJZIFLGMSD-GSVOUGTGSA-N AC$INSTRUMENT: LTQ Orbitrap XL, Thermo Scientfic AC$INSTRUMENT_TYPE: LC-ESI-ITFT diff --git a/NAIST/MSBNK-NAIST-KNA00002.txt b/NAIST/MSBNK-NAIST-KNA00002.txt index a93444a815b..38b8a485fd3 100644 --- a/NAIST/MSBNK-NAIST-KNA00002.txt +++ b/NAIST/MSBNK-NAIST-KNA00002.txt @@ -14,11 +14,11 @@ CH$SMILES: CCC(N)C(O)=O CH$IUPAC: InChI=1S/C4H9NO2/c1-2-3(5)4(6)7/h3H,2,5H2,1H3,(H,6,7)/t3-/m1/s1 CH$LINK: CAS 2623-91-8 CH$LINK: CHEBI CHEBI:28797 -CH$LINK: HMDB HMDB00650 +CH$LINK: HMDB HMDB0000650 CH$LINK: KEGG C02261 CH$LINK: LIPIDMAPS LMFA01100043 CH$LINK: NIKKAJI J1.815E -CH$LINK: PUBCHEM SID:5323 +CH$LINK: PUBCHEM CID:439691 CH$LINK: INCHIKEY QWCKQJZIFLGMSD-GSVOUGTGSA-N AC$INSTRUMENT: LTQ Orbitrap XL, Thermo Scientfic AC$INSTRUMENT_TYPE: LC-ESI-ITFT diff --git a/NAIST/MSBNK-NAIST-KNA00004.txt b/NAIST/MSBNK-NAIST-KNA00004.txt index b368bd15a85..d3b162657b7 100644 --- a/NAIST/MSBNK-NAIST-KNA00004.txt +++ b/NAIST/MSBNK-NAIST-KNA00004.txt @@ -14,11 +14,11 @@ CH$SMILES: CCC(N)C(O)=O CH$IUPAC: InChI=1S/C4H9NO2/c1-2-3(5)4(6)7/h3H,2,5H2,1H3,(H,6,7)/t3-/m1/s1 CH$LINK: CAS 2623-91-8 CH$LINK: CHEBI CHEBI:28797 -CH$LINK: HMDB HMDB00650 +CH$LINK: HMDB HMDB0000650 CH$LINK: KEGG C02261 CH$LINK: LIPIDMAPS LMFA01100043 CH$LINK: NIKKAJI J1.815E -CH$LINK: PUBCHEM SID:5323 +CH$LINK: PUBCHEM CID:439691 CH$LINK: INCHIKEY QWCKQJZIFLGMSD-GSVOUGTGSA-N AC$INSTRUMENT: LTQ Orbitrap XL, Thermo Scientfic AC$INSTRUMENT_TYPE: LC-ESI-ITFT diff --git a/NAIST/MSBNK-NAIST-KNA00005.txt b/NAIST/MSBNK-NAIST-KNA00005.txt index 2318d72d8e6..87319e2bc37 100644 --- a/NAIST/MSBNK-NAIST-KNA00005.txt +++ b/NAIST/MSBNK-NAIST-KNA00005.txt @@ -21,7 +21,7 @@ CH$LINK: KEGG C00334 CH$LINK: KNAPSACK C00001337 CH$LINK: LIPIDMAPS LMFA01100039 CH$LINK: NIKKAJI J1.375G -CH$LINK: PUBCHEM SID:3628 +CH$LINK: PUBCHEM CID:119 CH$LINK: INCHIKEY BTCSSZJGUNDROE-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID6035106 AC$INSTRUMENT: LTQ Orbitrap XL, Thermo Scientfic diff --git a/NAIST/MSBNK-NAIST-KNA00006.txt b/NAIST/MSBNK-NAIST-KNA00006.txt index 7ac05f9f77a..d915f61892e 100644 --- a/NAIST/MSBNK-NAIST-KNA00006.txt +++ b/NAIST/MSBNK-NAIST-KNA00006.txt @@ -20,7 +20,7 @@ CH$LINK: KEGG C00334 CH$LINK: KNAPSACK C00001337 CH$LINK: LIPIDMAPS LMFA01100039 CH$LINK: NIKKAJI J1.375G -CH$LINK: PUBCHEM SID:3628 +CH$LINK: PUBCHEM CID:119 CH$LINK: INCHIKEY BTCSSZJGUNDROE-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID6035106 AC$INSTRUMENT: LTQ Orbitrap XL, Thermo Scientfic diff --git a/NAIST/MSBNK-NAIST-KNA00007.txt b/NAIST/MSBNK-NAIST-KNA00007.txt index b65f295964d..2bd78c04a7e 100644 --- a/NAIST/MSBNK-NAIST-KNA00007.txt +++ b/NAIST/MSBNK-NAIST-KNA00007.txt @@ -20,7 +20,7 @@ CH$LINK: KEGG C00334 CH$LINK: KNAPSACK C00001337 CH$LINK: LIPIDMAPS LMFA01100039 CH$LINK: NIKKAJI J1.375G -CH$LINK: PUBCHEM SID:3628 +CH$LINK: PUBCHEM CID:119 CH$LINK: INCHIKEY BTCSSZJGUNDROE-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID6035106 AC$INSTRUMENT: LTQ Orbitrap XL, Thermo Scientfic diff --git a/NAIST/MSBNK-NAIST-KNA00316.txt b/NAIST/MSBNK-NAIST-KNA00316.txt index 1eb87f3546d..6b8720f2a34 100644 --- a/NAIST/MSBNK-NAIST-KNA00316.txt +++ b/NAIST/MSBNK-NAIST-KNA00316.txt @@ -20,7 +20,7 @@ CH$LINK: KEGG C00334 CH$LINK: KNAPSACK C00001337 CH$LINK: LIPIDMAPS LMFA01100039 CH$LINK: NIKKAJI J1.375G -CH$LINK: PUBCHEM SID:3628 +CH$LINK: PUBCHEM CID:119 CH$LINK: INCHIKEY BTCSSZJGUNDROE-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID6035106 AC$INSTRUMENT: LTQ Orbitrap XL, Thermo Scientfic diff --git a/NAIST/MSBNK-NAIST-KNA00317.txt b/NAIST/MSBNK-NAIST-KNA00317.txt index 8eb4af9ddb5..919194a620c 100644 --- a/NAIST/MSBNK-NAIST-KNA00317.txt +++ b/NAIST/MSBNK-NAIST-KNA00317.txt @@ -20,7 +20,7 @@ CH$LINK: KEGG C00334 CH$LINK: KNAPSACK C00001337 CH$LINK: LIPIDMAPS LMFA01100039 CH$LINK: NIKKAJI J1.375G -CH$LINK: PUBCHEM SID:3628 +CH$LINK: PUBCHEM CID:119 CH$LINK: INCHIKEY BTCSSZJGUNDROE-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID6035106 AC$INSTRUMENT: LTQ Orbitrap XL, Thermo Scientfic diff --git a/NAIST/MSBNK-NAIST-KNA00348.txt b/NAIST/MSBNK-NAIST-KNA00348.txt index db3454e4bad..f86892140e5 100644 --- a/NAIST/MSBNK-NAIST-KNA00348.txt +++ b/NAIST/MSBNK-NAIST-KNA00348.txt @@ -15,11 +15,11 @@ CH$SMILES: CCC(N)C(O)=O CH$IUPAC: InChI=1S/C4H9NO2/c1-2-3(5)4(6)7/h3H,2,5H2,1H3,(H,6,7)/t3-/m1/s1 CH$LINK: CAS 2623-91-8 CH$LINK: CHEBI CHEBI:28797 -CH$LINK: HMDB HMDB00650 +CH$LINK: HMDB HMDB0000650 CH$LINK: KEGG C02261 CH$LINK: LIPIDMAPS LMFA01100043 CH$LINK: NIKKAJI J1.815E -CH$LINK: PUBCHEM SID:5323 +CH$LINK: PUBCHEM CID:439691 CH$LINK: INCHIKEY QWCKQJZIFLGMSD-GSVOUGTGSA-N AC$INSTRUMENT: LTQ Orbitrap XL, Thermo Scientfic AC$INSTRUMENT_TYPE: LC-ESI-ITFT diff --git a/NAIST/MSBNK-NAIST-KNA00349.txt b/NAIST/MSBNK-NAIST-KNA00349.txt index 6e1988e6ec9..48a3353b1e5 100644 --- a/NAIST/MSBNK-NAIST-KNA00349.txt +++ b/NAIST/MSBNK-NAIST-KNA00349.txt @@ -14,11 +14,11 @@ CH$SMILES: CCC(N)C(O)=O CH$IUPAC: InChI=1S/C4H9NO2/c1-2-3(5)4(6)7/h3H,2,5H2,1H3,(H,6,7)/t3-/m1/s1 CH$LINK: CAS 2623-91-8 CH$LINK: CHEBI CHEBI:28797 -CH$LINK: HMDB HMDB00650 +CH$LINK: HMDB HMDB0000650 CH$LINK: KEGG C02261 CH$LINK: LIPIDMAPS LMFA01100043 CH$LINK: NIKKAJI J1.815E -CH$LINK: PUBCHEM SID:5323 +CH$LINK: PUBCHEM CID:439691 CH$LINK: INCHIKEY QWCKQJZIFLGMSD-GSVOUGTGSA-N AC$INSTRUMENT: LTQ Orbitrap XL, Thermo Scientfic AC$INSTRUMENT_TYPE: LC-ESI-ITFT diff --git a/RIKEN/MSBNK-RIKEN-PR020003.txt b/RIKEN/MSBNK-RIKEN-PR020003.txt index fc228392c75..8635e635911 100644 --- a/RIKEN/MSBNK-RIKEN-PR020003.txt +++ b/RIKEN/MSBNK-RIKEN-PR020003.txt @@ -16,7 +16,7 @@ CH$LINK: CAS 487-26-3 CH$LINK: CHEBI CHEBI:5070 CH$LINK: KEGG C00766 CH$LINK: NIKKAJI J11.632G -CH$LINK: PUBCHEM SID:4028 CID:10251 +CH$LINK: PUBCHEM CID:10251 CH$LINK: INCHIKEY ZONYXWQDUYMKFB-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID9022318 AC$INSTRUMENT: UPLC Q-Tof Premier, Waters diff --git a/RIKEN/MSBNK-RIKEN-PR020006.txt b/RIKEN/MSBNK-RIKEN-PR020006.txt index 8efa83bf48c..f0854b8ed73 100644 --- a/RIKEN/MSBNK-RIKEN-PR020006.txt +++ b/RIKEN/MSBNK-RIKEN-PR020006.txt @@ -15,7 +15,7 @@ CH$IUPAC: InChI=1S/C15H10O8/c16-6-3-7(17)11-10(4-6)23-15(14(22)13(11)21)5-1-8(18 CH$LINK: CAS 529-44-2 CH$LINK: KEGG C10107 CH$LINK: NIKKAJI J1.585G -CH$LINK: PUBCHEM SID:12293 CID:5281672 +CH$LINK: PUBCHEM CID:5281672 CH$LINK: INCHIKEY IKMDFBPHZNJCSN-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID8022400 AC$INSTRUMENT: UPLC Q-Tof Premier, Waters diff --git a/RIKEN/MSBNK-RIKEN-PR020008.txt b/RIKEN/MSBNK-RIKEN-PR020008.txt index f2352eedfde..11a7630b07d 100644 --- a/RIKEN/MSBNK-RIKEN-PR020008.txt +++ b/RIKEN/MSBNK-RIKEN-PR020008.txt @@ -18,7 +18,7 @@ CH$LINK: CHEBI CHEBI:16243 CH$LINK: CHEMPDB QUE CH$LINK: KEGG C00389 CH$LINK: NIKKAJI J2.907F -CH$LINK: PUBCHEM SID:3679 CID:5280343 +CH$LINK: PUBCHEM CID:5280343 CH$LINK: INCHIKEY REFJWTPEDVJJIY-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID4021218 AC$INSTRUMENT: UPLC Q-Tof Premier, Waters diff --git a/RIKEN/MSBNK-RIKEN-PR020009.txt b/RIKEN/MSBNK-RIKEN-PR020009.txt index a0b84446905..fa34606e7d7 100644 --- a/RIKEN/MSBNK-RIKEN-PR020009.txt +++ b/RIKEN/MSBNK-RIKEN-PR020009.txt @@ -15,7 +15,7 @@ CH$IUPAC: InChI=1S/C16H12O7/c1-22-8-5-11(19)13-12(6-8)23-16(15(21)14(13)20)7-2-3 CH$LINK: CAS 90-19-7 CH$LINK: KEGG C10176 CH$LINK: NIKKAJI J3.912H -CH$LINK: PUBCHEM SID:12362 CID:5281691 +CH$LINK: PUBCHEM CID:5281691 CH$LINK: INCHIKEY JGUZGNYPMHHYRK-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID40237979 AC$INSTRUMENT: UPLC Q-Tof Premier, Waters diff --git a/RIKEN/MSBNK-RIKEN-PR020010.txt b/RIKEN/MSBNK-RIKEN-PR020010.txt index ef711179c7e..d7ce71f6e21 100644 --- a/RIKEN/MSBNK-RIKEN-PR020010.txt +++ b/RIKEN/MSBNK-RIKEN-PR020010.txt @@ -15,7 +15,7 @@ CH$IUPAC: InChI=1S/C17H14O7/c1-22-14-3-8(4-15(23-2)16(14)21)17-12(20)7-10-11(19) CH$LINK: CAS 643-84-5 CH$LINK: KEGG C08716 CH$LINK: NIKKAJI J244.836J -CH$LINK: PUBCHEM SID:10909 CID:159287 +CH$LINK: PUBCHEM CID:159287 CH$LINK: INCHIKEY KZMACGJDUUWFCH-UHFFFAOYSA-O CH$LINK: COMPTOX DTXSID30146622 AC$INSTRUMENT: UPLC Q-Tof Premier, Waters diff --git a/RIKEN/MSBNK-RIKEN-PR020011.txt b/RIKEN/MSBNK-RIKEN-PR020011.txt index 3bd1951038c..d49e49cf242 100644 --- a/RIKEN/MSBNK-RIKEN-PR020011.txt +++ b/RIKEN/MSBNK-RIKEN-PR020011.txt @@ -16,7 +16,7 @@ CH$IUPAC: InChI=1S/C16H12O7/c1-22-11-4-7(2-3-9(11)18)16-15(21)14(20)13-10(19)5-8 CH$LINK: CAS 480-19-3 CH$LINK: KEGG C10084 CH$LINK: NIKKAJI J1.543A -CH$LINK: PUBCHEM SID:12270 CID:5281654 +CH$LINK: PUBCHEM CID:5281654 CH$LINK: INCHIKEY IZQSVPBOUDKVDZ-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID10197379 AC$INSTRUMENT: UPLC Q-Tof Premier, Waters diff --git a/RIKEN/MSBNK-RIKEN-PR020012.txt b/RIKEN/MSBNK-RIKEN-PR020012.txt index d6245ba5712..c301d28b8ef 100644 --- a/RIKEN/MSBNK-RIKEN-PR020012.txt +++ b/RIKEN/MSBNK-RIKEN-PR020012.txt @@ -31,7 +31,7 @@ CH$LINK: CHEBI CHEBI:28499 CH$LINK: CHEMPDB KMP CH$LINK: KEGG C05903 CH$LINK: NIKKAJI J1.575J -CH$LINK: PUBCHEM SID:8191 CID:5280863 +CH$LINK: PUBCHEM CID:5280863 CH$LINK: INCHIKEY IYRMWMYZSQPJKC-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID7020768 AC$INSTRUMENT: UPLC Q-Tof Premier, Waters diff --git a/RIKEN/MSBNK-RIKEN-PR020013.txt b/RIKEN/MSBNK-RIKEN-PR020013.txt index 06227628de4..c476670b1a3 100644 --- a/RIKEN/MSBNK-RIKEN-PR020013.txt +++ b/RIKEN/MSBNK-RIKEN-PR020013.txt @@ -16,7 +16,7 @@ CH$LINK: CAS 491-54-3 CH$LINK: CHEBI CHEBI:6099 CH$LINK: KEGG C10098 CH$LINK: NIKKAJI J13.293D -CH$LINK: PUBCHEM SID:12284 CID:5281666 +CH$LINK: PUBCHEM CID:5281666 CH$LINK: INCHIKEY SQFSKOYWJBQGKQ-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID9034155 AC$INSTRUMENT: UPLC Q-Tof Premier, Waters diff --git a/RIKEN/MSBNK-RIKEN-PR020015.txt b/RIKEN/MSBNK-RIKEN-PR020015.txt index fde62711967..2b1fe73f170 100644 --- a/RIKEN/MSBNK-RIKEN-PR020015.txt +++ b/RIKEN/MSBNK-RIKEN-PR020015.txt @@ -14,7 +14,7 @@ CH$IUPAC: InChI=1S/C15H12O6/c16-8-4-11(19)15-12(20)6-13(21-14(15)5-8)7-1-2-9(17) CH$LINK: CAS 552-58-9 CH$LINK: KEGG C05631 CH$LINK: NIKKAJI J139.243C -CH$LINK: PUBCHEM SID:7944 CID:440735 +CH$LINK: PUBCHEM CID:440735 CH$LINK: INCHIKEY SBHXYTNGIZCORC-ZDUSSCGKSA-N CH$LINK: COMPTOX DTXSID70877706 AC$INSTRUMENT: UPLC Q-Tof Premier, Waters diff --git a/RIKEN/MSBNK-RIKEN-PR020016.txt b/RIKEN/MSBNK-RIKEN-PR020016.txt index fdba127419b..9f1e95f11ae 100644 --- a/RIKEN/MSBNK-RIKEN-PR020016.txt +++ b/RIKEN/MSBNK-RIKEN-PR020016.txt @@ -17,7 +17,7 @@ CH$LINK: CAS 491-70-3 CH$LINK: CHEBI CHEBI:15864 CH$LINK: KEGG C01514 CH$LINK: NIKKAJI J1.554G -CH$LINK: PUBCHEM SID:4680 CID:5280445 +CH$LINK: PUBCHEM CID:5280445 CH$LINK: INCHIKEY IQPNAANSBPBGFQ-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID4074988 AC$INSTRUMENT: UPLC Q-Tof Premier, Waters diff --git a/RIKEN/MSBNK-RIKEN-PR020018.txt b/RIKEN/MSBNK-RIKEN-PR020018.txt index 39bbaa78be0..38f0bd777b2 100644 --- a/RIKEN/MSBNK-RIKEN-PR020018.txt +++ b/RIKEN/MSBNK-RIKEN-PR020018.txt @@ -17,7 +17,7 @@ CH$LINK: CAS 520-36-5 CH$LINK: CHEBI CHEBI:18388 CH$LINK: KEGG C01477 CH$LINK: NIKKAJI J6.601J -CH$LINK: PUBCHEM SID:4649 CID:5280443 +CH$LINK: PUBCHEM CID:5280443 CH$LINK: INCHIKEY KZNIFHPLKGYRTM-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID6022391 AC$INSTRUMENT: UPLC Q-Tof Premier, Waters diff --git a/RIKEN/MSBNK-RIKEN-PR020020.txt b/RIKEN/MSBNK-RIKEN-PR020020.txt index fcf34d3e480..6a40b187752 100644 --- a/RIKEN/MSBNK-RIKEN-PR020020.txt +++ b/RIKEN/MSBNK-RIKEN-PR020020.txt @@ -15,7 +15,7 @@ CH$LINK: CAS 486-66-8 CH$LINK: CHEBI CHEBI:28197 CH$LINK: KEGG C10208 CH$LINK: NIKKAJI J6.014C -CH$LINK: PUBCHEM SID:12394 CID:5281708 +CH$LINK: PUBCHEM CID:5281708 CH$LINK: INCHIKEY ZQSIJRDFPHDXIC-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID9022310 AC$INSTRUMENT: UPLC Q-Tof Premier, Waters diff --git a/RIKEN/MSBNK-RIKEN-PR020021.txt b/RIKEN/MSBNK-RIKEN-PR020021.txt index 29c0db8824c..50c5dca034e 100644 --- a/RIKEN/MSBNK-RIKEN-PR020021.txt +++ b/RIKEN/MSBNK-RIKEN-PR020021.txt @@ -15,7 +15,7 @@ CH$IUPAC: InChI=1S/C16H14O5/c1-20-11-6-12(18)16-13(19)8-14(21-15(16)7-11)9-2-4-1 CH$LINK: CAS 2957-21-3 CH$LINK: KEGG C09833 CH$LINK: NIKKAJI J7.652J -CH$LINK: PUBCHEM SID:12021 CID:73571 +CH$LINK: PUBCHEM CID:73571 CH$LINK: INCHIKEY DJOJDHGQRNZXQQ-AWEZNQCLSA-N AC$INSTRUMENT: UPLC Q-Tof Premier, Waters AC$INSTRUMENT_TYPE: LC-ESI-QTOF diff --git a/RIKEN/MSBNK-RIKEN-PR020024.txt b/RIKEN/MSBNK-RIKEN-PR020024.txt index 0e52393af75..44bcd38f0b5 100644 --- a/RIKEN/MSBNK-RIKEN-PR020024.txt +++ b/RIKEN/MSBNK-RIKEN-PR020024.txt @@ -18,7 +18,7 @@ CH$LINK: CAS 21414-41-5 CH$LINK: CHEBI CHEBI:5415 CH$LINK: KEGG C08419 CH$LINK: NIKKAJI J398.665I -CH$LINK: PUBCHEM SID:10615 CID:656556 +CH$LINK: PUBCHEM CID:656557 CH$LINK: INCHIKEY GMMLNKINDDUDCF-SISVVIKZSA-N AC$INSTRUMENT: UPLC Q-Tof Premier, Waters AC$INSTRUMENT_TYPE: LC-ESI-QTOF diff --git a/RIKEN/MSBNK-RIKEN-PR020028.txt b/RIKEN/MSBNK-RIKEN-PR020028.txt index 375b476ee4a..1d472057067 100644 --- a/RIKEN/MSBNK-RIKEN-PR020028.txt +++ b/RIKEN/MSBNK-RIKEN-PR020028.txt @@ -16,7 +16,7 @@ CH$LINK: CAS 480-44-4 CH$LINK: CHEBI CHEBI:15335 CH$LINK: KEGG C01470 CH$LINK: NIKKAJI J6.166B -CH$LINK: PUBCHEM SID:4645 CID:5280442 +CH$LINK: PUBCHEM CID:5280442 CH$LINK: INCHIKEY DANYIYRPLHHOCZ-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID00197383 AC$INSTRUMENT: UPLC Q-Tof Premier, Waters diff --git a/RIKEN/MSBNK-RIKEN-PR020030.txt b/RIKEN/MSBNK-RIKEN-PR020030.txt index c16a7851c02..3fe94b617f9 100644 --- a/RIKEN/MSBNK-RIKEN-PR020030.txt +++ b/RIKEN/MSBNK-RIKEN-PR020030.txt @@ -16,7 +16,7 @@ CH$IUPAC: InChI=1S/C27H30O15/c28-7-15-19(32)22(35)24(37)26(40-15)18-14(41-27-25( CH$LINK: CAS 20310-89-8 CH$LINK: KEGG C08064 CH$LINK: NIKKAJI J94.482C -CH$LINK: PUBCHEM SID:10264 CID:441381 +CH$LINK: PUBCHEM CID:441381 CH$LINK: INCHIKEY HGUVPEBGCAVWID-KETMJRJWSA-N CH$LINK: COMPTOX DTXSID10174201 AC$INSTRUMENT: UPLC Q-Tof Premier, Waters diff --git a/RIKEN/MSBNK-RIKEN-PR020032.txt b/RIKEN/MSBNK-RIKEN-PR020032.txt index 340b2e84531..db88c504e5e 100644 --- a/RIKEN/MSBNK-RIKEN-PR020032.txt +++ b/RIKEN/MSBNK-RIKEN-PR020032.txt @@ -16,7 +16,7 @@ CH$SMILES: O([C@H]5C)[C@H]([C@@H]([C@@H]([C@H]5O)O)O)O[C@H]([C@H]4O)[C@@H](O[C@@ CH$IUPAC: InChI=1S/C27H30O14/c1-10-20(32)22(34)24(36)26(37-10)41-25-23(35)21(33)18(9-28)40-27(25)38-13-6-14(30)19-15(31)8-16(39-17(19)7-13)11-2-4-12(29)5-3-11/h2-8,10,18,20-30,32-36H,9H2,1H3/t10-,18+,20-,21+,22+,23-,24+,25+,26-,27+/m0/s1 CH$LINK: CAS 17306-46-6 CH$LINK: KEGG C12627 -CH$LINK: PUBCHEM SID:583017 CID:5282150 +CH$LINK: PUBCHEM CID:5282150 CH$LINK: INCHIKEY RPMNUQRUHXIGHK-PYXJVEIZSA-N CH$LINK: COMPTOX DTXSID10938284 AC$INSTRUMENT: UPLC Q-Tof Premier, Waters diff --git a/RIKEN/MSBNK-RIKEN-PR020033.txt b/RIKEN/MSBNK-RIKEN-PR020033.txt index 6f29f264b48..f303fbfcfe5 100644 --- a/RIKEN/MSBNK-RIKEN-PR020033.txt +++ b/RIKEN/MSBNK-RIKEN-PR020033.txt @@ -17,7 +17,7 @@ CH$LINK: CAS 21967-41-9 CH$LINK: CHEBI CHEBI:2981 CH$LINK: KEGG C10025 CH$LINK: NIKKAJI J94.473D -CH$LINK: PUBCHEM SID:12211 CID:64982 +CH$LINK: PUBCHEM CID:64982 CH$LINK: INCHIKEY IKIIZLYTISPENI-ZFORQUDYSA-N AC$INSTRUMENT: UPLC Q-Tof Premier, Waters AC$INSTRUMENT_TYPE: LC-ESI-QTOF diff --git a/RIKEN/MSBNK-RIKEN-PR020035.txt b/RIKEN/MSBNK-RIKEN-PR020035.txt index 30c6c36ba04..e7364a8a8d3 100644 --- a/RIKEN/MSBNK-RIKEN-PR020035.txt +++ b/RIKEN/MSBNK-RIKEN-PR020035.txt @@ -18,7 +18,7 @@ CH$IUPAC: InChI=1S/C27H30O16/c28-7-17-19(33)21(35)23(37)26(42-17)40-15-5-10(30)4 CH$LINK: CAS 2611-67-8 CH$LINK: KEGG C08639 CH$LINK: NIKKAJI J294.525H -CH$LINK: PUBCHEM SID:10832 CID:441688 +CH$LINK: PUBCHEM CID:441688 CH$LINK: INCHIKEY RDFLLVCQYHQOBU-ZOTFFYTFSA-O CH$LINK: COMPTOX DTXSID70331611 AC$INSTRUMENT: UPLC Q-Tof Premier, Waters diff --git a/RIKEN/MSBNK-RIKEN-PR020036.txt b/RIKEN/MSBNK-RIKEN-PR020036.txt index 8a844b179ae..551199b21e9 100644 --- a/RIKEN/MSBNK-RIKEN-PR020036.txt +++ b/RIKEN/MSBNK-RIKEN-PR020036.txt @@ -16,7 +16,7 @@ CH$IUPAC: InChI=1S/C21H20O11/c22-7-16-17(27)18(28)19(29)21(32-16)31-15-6-10-12(2 CH$LINK: CAS 7084-24-4 CH$LINK: KEGG C08604 CH$LINK: NIKKAJI J231.541F -CH$LINK: PUBCHEM SID:10797 CID:441667 +CH$LINK: PUBCHEM CID:441667 CH$LINK: INCHIKEY RKWHWFONKJEUEF-GQUPQBGVSA-O AC$INSTRUMENT: UPLC Q-Tof Premier, Waters AC$INSTRUMENT_TYPE: LC-ESI-QTOF diff --git a/RIKEN/MSBNK-RIKEN-PR020037.txt b/RIKEN/MSBNK-RIKEN-PR020037.txt index 8ffe60ce2ab..17d591cf9f1 100644 --- a/RIKEN/MSBNK-RIKEN-PR020037.txt +++ b/RIKEN/MSBNK-RIKEN-PR020037.txt @@ -16,7 +16,7 @@ CH$IUPAC: InChI=1S/C21H20O9/c22-7-14-17(26)18(27)19(28)21(30-14)15-13(24)6-5-11- CH$LINK: CAS 3681-99-0 CH$LINK: KEGG C10524 CH$LINK: NIKKAJI J16.365A -CH$LINK: PUBCHEM SID:12707 CID:5281807 +CH$LINK: PUBCHEM CID:5281807 CH$LINK: INCHIKEY HKEAFJYKMMKDOR-VPRICQMDSA-N CH$LINK: COMPTOX DTXSID30958020 AC$INSTRUMENT: UPLC Q-Tof Premier, Waters diff --git a/RIKEN/MSBNK-RIKEN-PR020042.txt b/RIKEN/MSBNK-RIKEN-PR020042.txt index d3a24fdac2b..c83774e5b54 100644 --- a/RIKEN/MSBNK-RIKEN-PR020042.txt +++ b/RIKEN/MSBNK-RIKEN-PR020042.txt @@ -16,7 +16,7 @@ CH$IUPAC: InChI=1S/C27H32O15/c1-9-20(33)22(35)24(37)26(38-9)42-25-23(36)21(34)18 CH$LINK: CAS 13241-32-2 36790-48-4 39280-04-1 CH$LINK: KEGG C09805 CH$LINK: NIKKAJI J213.772K -CH$LINK: PUBCHEM SID:11993 CID:114627 +CH$LINK: PUBCHEM CID:114627 CH$LINK: INCHIKEY OBKKEZLIABHSGY-DOYQYKRZSA-N CH$LINK: COMPTOX DTXSID70157530 AC$INSTRUMENT: UPLC Q-Tof Premier, Waters diff --git a/RIKEN/MSBNK-RIKEN-PR020045.txt b/RIKEN/MSBNK-RIKEN-PR020045.txt index 2c3ee3b5624..e15340c2f07 100644 --- a/RIKEN/MSBNK-RIKEN-PR020045.txt +++ b/RIKEN/MSBNK-RIKEN-PR020045.txt @@ -16,7 +16,7 @@ CH$IUPAC: InChI=1S/C28H34O15/c1-10-21(33)23(35)25(37)27(39-10)43-26-24(36)22(34) CH$LINK: CAS 13241-33-3 CH$LINK: KEGG C09806 CH$LINK: NIKKAJI J15.272B -CH$LINK: PUBCHEM SID:11994 CID:442439 +CH$LINK: PUBCHEM CID:442439 CH$LINK: INCHIKEY ARGKVCXINMKCAZ-UZRWAPQLSA-N AC$INSTRUMENT: UPLC Q-Tof Premier, Waters AC$INSTRUMENT_TYPE: LC-ESI-QTOF diff --git a/RIKEN/MSBNK-RIKEN-PR020047.txt b/RIKEN/MSBNK-RIKEN-PR020047.txt index 03d040f3c76..b89d377e856 100644 --- a/RIKEN/MSBNK-RIKEN-PR020047.txt +++ b/RIKEN/MSBNK-RIKEN-PR020047.txt @@ -16,7 +16,7 @@ CH$IUPAC: InChI=1S/C21H20O11/c22-7-16-17(27)18(28)19(29)21(32-16)31-15-6-10-12(2 CH$LINK: CAS 27661-36-5 CH$LINK: KEGG C08647 CH$LINK: NIKKAJI J243.811I -CH$LINK: PUBCHEM SID:10840 CID:441699 +CH$LINK: PUBCHEM CID:441699 CH$LINK: INCHIKEY RKWHWFONKJEUEF-WVXKDWSHSA-O CH$LINK: COMPTOX DTXSID80950312 AC$INSTRUMENT: UPLC Q-Tof Premier, Waters diff --git a/RIKEN/MSBNK-RIKEN-PR020051.txt b/RIKEN/MSBNK-RIKEN-PR020051.txt index 3258bdafa21..c1e64448e08 100644 --- a/RIKEN/MSBNK-RIKEN-PR020051.txt +++ b/RIKEN/MSBNK-RIKEN-PR020051.txt @@ -16,7 +16,7 @@ CH$IUPAC: InChI=1S/C28H34O14/c1-11-21(32)23(34)25(36)27(38-11)42-26-24(35)22(33) CH$LINK: CAS 14941-08-3 CH$LINK: KEGG C09830 CH$LINK: NIKKAJI J241.355H -CH$LINK: PUBCHEM SID:12018 CID:442456 +CH$LINK: PUBCHEM CID:442456 CH$LINK: INCHIKEY NLAWPKPYBMEWIR-SKYQDXIQSA-N CH$LINK: COMPTOX DTXSID00933642 AC$INSTRUMENT: UPLC Q-Tof Premier, Waters diff --git a/RIKEN/MSBNK-RIKEN-PR020052.txt b/RIKEN/MSBNK-RIKEN-PR020052.txt index 7da484182a8..448298099b2 100644 --- a/RIKEN/MSBNK-RIKEN-PR020052.txt +++ b/RIKEN/MSBNK-RIKEN-PR020052.txt @@ -15,7 +15,7 @@ CH$IUPAC: InChI=1S/C16H14O5/c1-20-11-4-2-9(3-5-11)14-8-13(19)16-12(18)6-10(17)7- CH$LINK: CAS 480-43-3 CH$LINK: KEGG C05334 CH$LINK: NIKKAJI J12.391I -CH$LINK: PUBCHEM SID:7712 CID:160481 +CH$LINK: PUBCHEM CID:160481 CH$LINK: INCHIKEY HMUJXQRRKBLVOO-AWEZNQCLSA-N CH$LINK: COMPTOX DTXSID60963980 AC$INSTRUMENT: UPLC Q-Tof Premier, Waters diff --git a/RIKEN/MSBNK-RIKEN-PR020054.txt b/RIKEN/MSBNK-RIKEN-PR020054.txt index 7a89e1bab08..04b81fe6726 100644 --- a/RIKEN/MSBNK-RIKEN-PR020054.txt +++ b/RIKEN/MSBNK-RIKEN-PR020054.txt @@ -15,7 +15,7 @@ CH$SMILES: OC[C@@H](O1)[C@@H](O)[C@H](O)[C@@H](O)[C@@H]1OC(C(=O)2)=C(c(c4)ccc(O) CH$IUPAC: InChI=1S/C21H20O11/c22-7-13-15(26)17(28)18(29)21(31-13)32-20-16(27)14-11(25)5-10(24)6-12(14)30-19(20)8-1-3-9(23)4-2-8/h1-6,13,15,17-18,21-26,28-29H,7H2/t13-,15-,17+,18-,21+/m1/s1 CH$LINK: CAS 480-10-4 CH$LINK: KEGG C12249 -CH$LINK: PUBCHEM SID:14394 CID:5282102 +CH$LINK: PUBCHEM CID:5282102 CH$LINK: INCHIKEY JPUKWEQWGBDDQB-QSOFNFLRSA-N AC$INSTRUMENT: UPLC Q-Tof Premier, Waters AC$INSTRUMENT_TYPE: LC-ESI-QTOF diff --git a/RIKEN/MSBNK-RIKEN-PR020055.txt b/RIKEN/MSBNK-RIKEN-PR020055.txt index 0cb0ef3e01a..34ad784bff1 100644 --- a/RIKEN/MSBNK-RIKEN-PR020055.txt +++ b/RIKEN/MSBNK-RIKEN-PR020055.txt @@ -15,7 +15,7 @@ CH$IUPAC: InChI=1S/C33H40O19/c1-10-19(36)23(40)26(43)31(47-10)46-9-17-21(38)25(4 CH$LINK: CAS 301-19-9 CH$LINK: KEGG C10178 CH$LINK: NIKKAJI J11.402B -CH$LINK: PUBCHEM SID:12364 CID:5281693 +CH$LINK: PUBCHEM CID:5281693 CH$LINK: INCHIKEY PEFASEPMJYRQBW-HKWQTAEVSA-N AC$INSTRUMENT: UPLC Q-Tof Premier, Waters AC$INSTRUMENT_TYPE: LC-ESI-QTOF diff --git a/RIKEN/MSBNK-RIKEN-PR020061.txt b/RIKEN/MSBNK-RIKEN-PR020061.txt index 632f0642219..243210360da 100644 --- a/RIKEN/MSBNK-RIKEN-PR020061.txt +++ b/RIKEN/MSBNK-RIKEN-PR020061.txt @@ -18,7 +18,7 @@ CH$LINK: CAS 4261-42-1 CH$LINK: CHEBI CHEBI:17965 CH$LINK: KEGG C01821 CH$LINK: NIKKAJI J14.555F -CH$LINK: PUBCHEM SID:4945 CID:114776 +CH$LINK: PUBCHEM CID:114776 CH$LINK: INCHIKEY ODBRNZZJSYPIDI-VJXVFPJBSA-N CH$LINK: COMPTOX DTXSID50962609 AC$INSTRUMENT: UPLC Q-Tof Premier, Waters diff --git a/RIKEN/MSBNK-RIKEN-PR020062.txt b/RIKEN/MSBNK-RIKEN-PR020062.txt index 4ee8fdb3d7b..330c8124e84 100644 --- a/RIKEN/MSBNK-RIKEN-PR020062.txt +++ b/RIKEN/MSBNK-RIKEN-PR020062.txt @@ -16,7 +16,7 @@ CH$SMILES: OC[C@@H](O1)[C@@H](O)[C@H](O)[C@@H](O)[C@@H]1Oc(c4)cc(O2)c(c(O)4)C(=O CH$IUPAC: InChI=1S/C21H20O11/c22-7-16-18(27)19(28)20(29)21(32-16)30-9-4-12(25)17-13(26)6-14(31-15(17)5-9)8-1-2-10(23)11(24)3-8/h1-6,16,18-25,27-29H,7H2/t16-,18-,19+,20-,21-/m1/s1 CH$LINK: CAS 5373-11-5 CH$LINK: KEGG C03951 -CH$LINK: PUBCHEM SID:6673 CID:5280637 +CH$LINK: PUBCHEM CID:5280637 CH$LINK: INCHIKEY PEFNSGRTCBGNAN-QNDFHXLGSA-N CH$LINK: COMPTOX DTXSID50949617 AC$INSTRUMENT: UPLC Q-Tof Premier, Waters diff --git a/RIKEN/MSBNK-RIKEN-PR020063.txt b/RIKEN/MSBNK-RIKEN-PR020063.txt index 3cbdb1bdd61..a565c18c985 100644 --- a/RIKEN/MSBNK-RIKEN-PR020063.txt +++ b/RIKEN/MSBNK-RIKEN-PR020063.txt @@ -16,7 +16,7 @@ CH$IUPAC: InChI=1S/C21H20O11/c22-6-14-17(28)18(29)19(30)21(32-14)16-11(26)4-10(2 CH$LINK: CAS 28608-75-5 CH$LINK: KEGG C10114 CH$LINK: NIKKAJI J17.734B -CH$LINK: PUBCHEM SID:12300 CID:5281675 +CH$LINK: PUBCHEM CID:5281675 CH$LINK: INCHIKEY PLAPMLGJVGLZOV-VPRICQMDSA-N CH$LINK: COMPTOX DTXSID60182790 AC$INSTRUMENT: UPLC Q-Tof Premier, Waters diff --git a/RIKEN/MSBNK-RIKEN-PR020064.txt b/RIKEN/MSBNK-RIKEN-PR020064.txt index 92d481d8cbb..432a98c46fa 100644 --- a/RIKEN/MSBNK-RIKEN-PR020064.txt +++ b/RIKEN/MSBNK-RIKEN-PR020064.txt @@ -15,7 +15,7 @@ CH$IUPAC: InChI=1S/C29H34O17/c1-40-15-3-10(4-16(41-2)20(15)33)27-17(44-29-26(39) CH$LINK: CAS 16727-30-3 CH$LINK: KEGG C08718 CH$LINK: NIKKAJI J294.526F -CH$LINK: PUBCHEM SID:10911 CID:441765 +CH$LINK: PUBCHEM CID:441765 CH$LINK: INCHIKEY CILLXFBAACIQNS-BTXJZROQSA-O AC$INSTRUMENT: UPLC Q-Tof Premier, Waters AC$INSTRUMENT_TYPE: LC-ESI-QTOF diff --git a/RIKEN/MSBNK-RIKEN-PR020066.txt b/RIKEN/MSBNK-RIKEN-PR020066.txt index 82521ac22ac..ae251210256 100644 --- a/RIKEN/MSBNK-RIKEN-PR020066.txt +++ b/RIKEN/MSBNK-RIKEN-PR020066.txt @@ -18,7 +18,7 @@ CH$IUPAC: InChI=1S/C23H24O12/c1-31-14-3-9(4-15(32-2)18(14)27)22-16(7-11-12(26)5- CH$LINK: CAS 7228-78-6 CH$LINK: KEGG C12140 CH$LINK: NIKKAJI J220.342A -CH$LINK: PUBCHEM SID:14287 CID:443652 +CH$LINK: PUBCHEM CID:443652 CH$LINK: INCHIKEY PXUQTDZNOHRWLI-OXUVVOBNSA-O CH$LINK: COMPTOX DTXSID30332124 AC$INSTRUMENT: UPLC Q-Tof Premier, Waters diff --git a/RIKEN/MSBNK-RIKEN-PR020068.txt b/RIKEN/MSBNK-RIKEN-PR020068.txt index c85e54aacf0..3ddb6d0727b 100644 --- a/RIKEN/MSBNK-RIKEN-PR020068.txt +++ b/RIKEN/MSBNK-RIKEN-PR020068.txt @@ -16,7 +16,7 @@ CH$IUPAC: InChI=1S/C21H20O12/c1-6-14(26)17(29)18(30)21(31-6)33-20-16(28)13-9(23) CH$LINK: CAS 17912-87-7 CH$LINK: KEGG C10108 CH$LINK: NIKKAJI J986E -CH$LINK: PUBCHEM SID:12294 CID:5281673 +CH$LINK: PUBCHEM CID:5281673 CH$LINK: INCHIKEY DCYOADKBABEMIQ-OWMUPTOHSA-N CH$LINK: COMPTOX DTXSID40170771 AC$INSTRUMENT: UPLC Q-Tof Premier, Waters diff --git a/RIKEN/MSBNK-RIKEN-PR020069.txt b/RIKEN/MSBNK-RIKEN-PR020069.txt index 1c45cb5dc9c..548bfbff31e 100644 --- a/RIKEN/MSBNK-RIKEN-PR020069.txt +++ b/RIKEN/MSBNK-RIKEN-PR020069.txt @@ -16,7 +16,7 @@ CH$IUPAC: InChI=1S/C21H22O10/c22-8-16-18(26)19(27)20(28)21(31-16)29-11-5-12(24)1 CH$LINK: CAS 529-55-5 CH$LINK: KEGG C09099 CH$LINK: NIKKAJI J182.295K -CH$LINK: PUBCHEM SID:11291 CID:92794 +CH$LINK: PUBCHEM CID:92794 CH$LINK: INCHIKEY DLIKSSGEMUFQOK-SFTVRKLSSA-N AC$INSTRUMENT: UPLC Q-Tof Premier, Waters AC$INSTRUMENT_TYPE: LC-ESI-QTOF diff --git a/RIKEN/MSBNK-RIKEN-PR020072.txt b/RIKEN/MSBNK-RIKEN-PR020072.txt index f4e32f28e07..26773f848c5 100644 --- a/RIKEN/MSBNK-RIKEN-PR020072.txt +++ b/RIKEN/MSBNK-RIKEN-PR020072.txt @@ -19,7 +19,7 @@ CH$LINK: CAS 134-04-3 7690-51-9 CH$LINK: CHEBI CHEBI:28510 CH$LINK: KEGG C05904 CH$LINK: NIKKAJI J244.797E -CH$LINK: PUBCHEM SID:8192 CID:440832 +CH$LINK: PUBCHEM CID:440832 CH$LINK: INCHIKEY XVFMGWDSJLBXDZ-UHFFFAOYSA-O AC$INSTRUMENT: UPLC Q-Tof Premier, Waters AC$INSTRUMENT_TYPE: LC-ESI-QTOF diff --git a/RIKEN/MSBNK-RIKEN-PR020075.txt b/RIKEN/MSBNK-RIKEN-PR020075.txt index d16b4270e48..784fb15812e 100644 --- a/RIKEN/MSBNK-RIKEN-PR020075.txt +++ b/RIKEN/MSBNK-RIKEN-PR020075.txt @@ -17,7 +17,7 @@ CH$IUPAC: InChI=1S/C21H20O12/c22-6-13-15(27)17(29)18(30)21(32-13)33-20-16(28)14- CH$LINK: CAS 482-36-0 CH$LINK: KEGG C10073 CH$LINK: NIKKAJI J12.400A -CH$LINK: PUBCHEM SID:12259 CID:5281643 +CH$LINK: PUBCHEM CID:5281643 CH$LINK: INCHIKEY OVSQVDMCBVZWGM-DTGCRPNFSA-N AC$INSTRUMENT: UPLC Q-Tof Premier, Waters AC$INSTRUMENT_TYPE: LC-ESI-QTOF diff --git a/RIKEN/MSBNK-RIKEN-PR020078.txt b/RIKEN/MSBNK-RIKEN-PR020078.txt index d93a1d6f108..6a1aca42da3 100644 --- a/RIKEN/MSBNK-RIKEN-PR020078.txt +++ b/RIKEN/MSBNK-RIKEN-PR020078.txt @@ -20,7 +20,7 @@ CH$IUPAC: InChI=1S/C21H20O12/c22-6-13-15(27)17(29)18(30)21(32-13)33-20-16(28)14- CH$LINK: CAS 482-35-9 21637-25-2 CH$LINK: KEGG C05623 CH$LINK: NIKKAJI J11.252F -CH$LINK: PUBCHEM SID:7940 CID:5280804 +CH$LINK: PUBCHEM CID:5280804 CH$LINK: INCHIKEY OVSQVDMCBVZWGM-QSOFNFLRSA-N AC$INSTRUMENT: UPLC Q-Tof Premier, Waters AC$INSTRUMENT_TYPE: LC-ESI-QTOF diff --git a/RIKEN/MSBNK-RIKEN-PR020079.txt b/RIKEN/MSBNK-RIKEN-PR020079.txt index 2961c2a2834..cdcc1695b34 100644 --- a/RIKEN/MSBNK-RIKEN-PR020079.txt +++ b/RIKEN/MSBNK-RIKEN-PR020079.txt @@ -16,7 +16,7 @@ CH$LINK: CAS 522-12-3 6151-25-3 CH$LINK: CHEBI CHEBI:17558 CH$LINK: KEGG C01750 CH$LINK: NIKKAJI J1.578D -CH$LINK: PUBCHEM SID:4883 CID:5280459 +CH$LINK: PUBCHEM CID:5280459 CH$LINK: INCHIKEY OXGUCUVFOIWWQJ-HQBVPOQASA-N CH$LINK: COMPTOX DTXSID50200230 AC$INSTRUMENT: UPLC Q-Tof Premier, Waters diff --git a/RIKEN/MSBNK-RIKEN-PR020086.txt b/RIKEN/MSBNK-RIKEN-PR020086.txt index 6f85aea39fc..beb17a88026 100644 --- a/RIKEN/MSBNK-RIKEN-PR020086.txt +++ b/RIKEN/MSBNK-RIKEN-PR020086.txt @@ -15,7 +15,7 @@ CH$IUPAC: InChI=1S/C10H13N5O/c1-7(4-16)2-3-11-9-8-10(13-5-12-8)15-6-14-9/h2,5-6, CH$LINK: CAS 1637-39-4 CH$LINK: CHEBI CHEBI:16522 CH$LINK: KEGG C00371 -CH$LINK: PUBCHEM SID:3661 CID:449093 +CH$LINK: PUBCHEM CID:449093 CH$LINK: INCHIKEY UZKQTCBAMSWPJD-FARCUNLSSA-N CH$LINK: COMPTOX DTXSID9040631 AC$INSTRUMENT: UPLC Waters, Quattro Ultima Pt Micromass diff --git a/RIKEN/MSBNK-RIKEN-PR020087.txt b/RIKEN/MSBNK-RIKEN-PR020087.txt index 2e0a2281fc0..673db170ede 100644 --- a/RIKEN/MSBNK-RIKEN-PR020087.txt +++ b/RIKEN/MSBNK-RIKEN-PR020087.txt @@ -15,7 +15,7 @@ CH$IUPAC: InChI=1S/C10H13N5O/c1-7(4-16)2-3-11-9-8-10(13-5-12-8)15-6-14-9/h2,5-6, CH$LINK: CAS 1637-39-4 CH$LINK: CHEBI CHEBI:16522 CH$LINK: KEGG C00371 -CH$LINK: PUBCHEM SID:3661 CID:449093 +CH$LINK: PUBCHEM CID:449093 CH$LINK: INCHIKEY UZKQTCBAMSWPJD-FARCUNLSSA-N CH$LINK: COMPTOX DTXSID9040631 AC$INSTRUMENT: UPLC Waters, Quattro Ultima Pt Micromass diff --git a/RIKEN/MSBNK-RIKEN-PR020088.txt b/RIKEN/MSBNK-RIKEN-PR020088.txt index bbd27468b26..4c43f172e9e 100644 --- a/RIKEN/MSBNK-RIKEN-PR020088.txt +++ b/RIKEN/MSBNK-RIKEN-PR020088.txt @@ -15,7 +15,7 @@ CH$IUPAC: InChI=1S/C10H13N5O/c1-7(4-16)2-3-11-9-8-10(13-5-12-8)15-6-14-9/h2,5-6, CH$LINK: CAS 1637-39-4 CH$LINK: CHEBI CHEBI:16522 CH$LINK: KEGG C00371 -CH$LINK: PUBCHEM SID:3661 CID:449093 +CH$LINK: PUBCHEM CID:449093 CH$LINK: INCHIKEY UZKQTCBAMSWPJD-FARCUNLSSA-N CH$LINK: COMPTOX DTXSID9040631 AC$INSTRUMENT: UPLC Waters, Quattro Ultima Pt Micromass diff --git a/RIKEN/MSBNK-RIKEN-PR020089.txt b/RIKEN/MSBNK-RIKEN-PR020089.txt index 9996b410a2c..20500323fe1 100644 --- a/RIKEN/MSBNK-RIKEN-PR020089.txt +++ b/RIKEN/MSBNK-RIKEN-PR020089.txt @@ -14,7 +14,7 @@ CH$LINK: CAS 32771-64-5 CH$LINK: CHEBI CHEBI:12800 CH$LINK: KEGG C15545 CH$LINK: NIKKAJI J484.112C -CH$LINK: PUBCHEM SID:17396537 CID:688597 +CH$LINK: PUBCHEM CID:688597 CH$LINK: INCHIKEY UZKQTCBAMSWPJD-UQCOIBPSSA-N AC$INSTRUMENT: UPLC Waters, Quattro Ultima Pt Micromass AC$INSTRUMENT_TYPE: LC-ESI-QQ diff --git a/RIKEN/MSBNK-RIKEN-PR020090.txt b/RIKEN/MSBNK-RIKEN-PR020090.txt index 312c914681d..e731dc948cf 100644 --- a/RIKEN/MSBNK-RIKEN-PR020090.txt +++ b/RIKEN/MSBNK-RIKEN-PR020090.txt @@ -14,7 +14,7 @@ CH$LINK: CAS 32771-64-5 CH$LINK: CHEBI CHEBI:12800 CH$LINK: KEGG C15545 CH$LINK: NIKKAJI J484.112C -CH$LINK: PUBCHEM SID:17396537 CID:688597 +CH$LINK: PUBCHEM CID:688597 CH$LINK: INCHIKEY UZKQTCBAMSWPJD-UQCOIBPSSA-N AC$INSTRUMENT: UPLC Waters, Quattro Ultima Pt Micromass AC$INSTRUMENT_TYPE: LC-ESI-QQ diff --git a/RIKEN/MSBNK-RIKEN-PR020091.txt b/RIKEN/MSBNK-RIKEN-PR020091.txt index 3f6ad38b987..237a0973319 100644 --- a/RIKEN/MSBNK-RIKEN-PR020091.txt +++ b/RIKEN/MSBNK-RIKEN-PR020091.txt @@ -14,7 +14,7 @@ CH$LINK: CAS 32771-64-5 CH$LINK: CHEBI CHEBI:12800 CH$LINK: KEGG C15545 CH$LINK: NIKKAJI J484.112C -CH$LINK: PUBCHEM SID:17396537 CID:688597 +CH$LINK: PUBCHEM CID:688597 CH$LINK: INCHIKEY UZKQTCBAMSWPJD-UQCOIBPSSA-N AC$INSTRUMENT: UPLC Waters, Quattro Ultima Pt Micromass AC$INSTRUMENT_TYPE: LC-ESI-QQ diff --git a/RIKEN/MSBNK-RIKEN-PR020106.txt b/RIKEN/MSBNK-RIKEN-PR020106.txt index bddbc22f826..5d3144ef81d 100644 --- a/RIKEN/MSBNK-RIKEN-PR020106.txt +++ b/RIKEN/MSBNK-RIKEN-PR020106.txt @@ -17,7 +17,7 @@ CH$LINK: CAS 2365-40-4 CH$LINK: CHEBI CHEBI:17660 CH$LINK: KEGG C04083 CH$LINK: NIKKAJI J120.788A -CH$LINK: PUBCHEM SID:6776 CID:92180 +CH$LINK: PUBCHEM CID:92180 CH$LINK: INCHIKEY HYVABZIGRDEKCD-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID10178325 AC$INSTRUMENT: UPLC Waters, Quattro Ultima Pt Micromass diff --git a/RIKEN/MSBNK-RIKEN-PR020128.txt b/RIKEN/MSBNK-RIKEN-PR020128.txt index e7cb3e5d189..5aa3138b33a 100644 --- a/RIKEN/MSBNK-RIKEN-PR020128.txt +++ b/RIKEN/MSBNK-RIKEN-PR020128.txt @@ -16,7 +16,7 @@ CH$LINK: CAS 87-51-4 CH$LINK: CHEBI CHEBI:16411 CH$LINK: KEGG C00954 CH$LINK: NIKKAJI J5.156J -CH$LINK: PUBCHEM SID:4205 CID:802 +CH$LINK: PUBCHEM CID:802 CH$LINK: INCHIKEY SEOVTRFCIGRIMH-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID5020738 AC$INSTRUMENT: UPLC Waters, Quattro Ultima Pt Micromass diff --git a/RIKEN/MSBNK-RIKEN-PR020158.txt b/RIKEN/MSBNK-RIKEN-PR020158.txt index cf9f86772c1..2888bead30c 100644 --- a/RIKEN/MSBNK-RIKEN-PR020158.txt +++ b/RIKEN/MSBNK-RIKEN-PR020158.txt @@ -12,7 +12,7 @@ CH$IUPAC: InChI=1S/C20H26O5/c1-11-8-20-9-12(11)4-5-13(20)19(10-21)7-3-6-18(2,17( CH$LINK: CAS 19427-32-8 CH$LINK: KEGG C11861 CH$LINK: NIKKAJI J4.752J -CH$LINK: PUBCHEM SID:14023 CID:443454 +CH$LINK: PUBCHEM CID:443454 CH$LINK: INCHIKEY QQRSSHFHXYSOMF-CXXOJBQZSA-N CH$LINK: COMPTOX DTXSID90941155 AC$INSTRUMENT: UPLC Waters, Quattro Ultima Pt Micromass diff --git a/RIKEN/MSBNK-RIKEN-PR020159.txt b/RIKEN/MSBNK-RIKEN-PR020159.txt index eab659c39c5..d98fd80c386 100644 --- a/RIKEN/MSBNK-RIKEN-PR020159.txt +++ b/RIKEN/MSBNK-RIKEN-PR020159.txt @@ -12,7 +12,7 @@ CH$IUPAC: InChI=1S/C20H26O5/c1-11-8-20-9-12(11)4-5-13(20)19(10-21)7-3-6-18(2,17( CH$LINK: CAS 19427-32-8 CH$LINK: KEGG C11861 CH$LINK: NIKKAJI J4.752J -CH$LINK: PUBCHEM SID:14023 CID:443454 +CH$LINK: PUBCHEM CID:443454 CH$LINK: INCHIKEY QQRSSHFHXYSOMF-CXXOJBQZSA-N CH$LINK: COMPTOX DTXSID90941155 AC$INSTRUMENT: UPLC Waters, Quattro Ultima Pt Micromass diff --git a/RIKEN/MSBNK-RIKEN-PR020160.txt b/RIKEN/MSBNK-RIKEN-PR020160.txt index ad210e20faa..b28357e202c 100644 --- a/RIKEN/MSBNK-RIKEN-PR020160.txt +++ b/RIKEN/MSBNK-RIKEN-PR020160.txt @@ -12,7 +12,7 @@ CH$IUPAC: InChI=1S/C20H26O5/c1-11-8-20-9-12(11)4-5-13(20)19(10-21)7-3-6-18(2,17( CH$LINK: CAS 19427-32-8 CH$LINK: KEGG C11861 CH$LINK: NIKKAJI J4.752J -CH$LINK: PUBCHEM SID:14023 CID:443454 +CH$LINK: PUBCHEM CID:443454 CH$LINK: INCHIKEY QQRSSHFHXYSOMF-CXXOJBQZSA-N CH$LINK: COMPTOX DTXSID90941155 AC$INSTRUMENT: UPLC Waters, Quattro Ultima Pt Micromass diff --git a/RIKEN/MSBNK-RIKEN-PR020167.txt b/RIKEN/MSBNK-RIKEN-PR020167.txt index 1de8c6dca55..99872cab3ab 100644 --- a/RIKEN/MSBNK-RIKEN-PR020167.txt +++ b/RIKEN/MSBNK-RIKEN-PR020167.txt @@ -13,7 +13,7 @@ CH$LINK: CAS 51576-08-0 CH$LINK: CHEBI CHEBI:27433 CH$LINK: KEGG C06094 CH$LINK: NIKKAJI J4.770H -CH$LINK: PUBCHEM SID:8360 CID:440914 +CH$LINK: PUBCHEM CID:440914 CH$LINK: INCHIKEY CZEMYYICWZPENF-VOLTXKGXSA-N CH$LINK: COMPTOX DTXSID20331540 AC$INSTRUMENT: UPLC Waters, Quattro Ultima Pt Micromass diff --git a/RIKEN/MSBNK-RIKEN-PR020168.txt b/RIKEN/MSBNK-RIKEN-PR020168.txt index da4a981da76..a88c2657057 100644 --- a/RIKEN/MSBNK-RIKEN-PR020168.txt +++ b/RIKEN/MSBNK-RIKEN-PR020168.txt @@ -13,7 +13,7 @@ CH$LINK: CAS 51576-08-0 CH$LINK: CHEBI CHEBI:27433 CH$LINK: KEGG C06094 CH$LINK: NIKKAJI J4.770H -CH$LINK: PUBCHEM SID:8360 CID:440914 +CH$LINK: PUBCHEM CID:440914 CH$LINK: INCHIKEY CZEMYYICWZPENF-VOLTXKGXSA-N CH$LINK: COMPTOX DTXSID20331540 AC$INSTRUMENT: UPLC Waters, Quattro Ultima Pt Micromass diff --git a/RIKEN/MSBNK-RIKEN-PR020169.txt b/RIKEN/MSBNK-RIKEN-PR020169.txt index fd482cd687e..c0520090d31 100644 --- a/RIKEN/MSBNK-RIKEN-PR020169.txt +++ b/RIKEN/MSBNK-RIKEN-PR020169.txt @@ -13,7 +13,7 @@ CH$LINK: CAS 51576-08-0 CH$LINK: CHEBI CHEBI:27433 CH$LINK: KEGG C06094 CH$LINK: NIKKAJI J4.770H -CH$LINK: PUBCHEM SID:8360 CID:440914 +CH$LINK: PUBCHEM CID:440914 CH$LINK: INCHIKEY CZEMYYICWZPENF-VOLTXKGXSA-N CH$LINK: COMPTOX DTXSID20331540 AC$INSTRUMENT: UPLC Waters, Quattro Ultima Pt Micromass diff --git a/RIKEN/MSBNK-RIKEN-PR020170.txt b/RIKEN/MSBNK-RIKEN-PR020170.txt index 27e02e97d36..f1879ec7327 100644 --- a/RIKEN/MSBNK-RIKEN-PR020170.txt +++ b/RIKEN/MSBNK-RIKEN-PR020170.txt @@ -13,7 +13,7 @@ CH$LINK: CAS 51576-08-0 CH$LINK: CHEBI CHEBI:27433 CH$LINK: KEGG C06094 CH$LINK: NIKKAJI J4.770H -CH$LINK: PUBCHEM SID:8360 CID:440914 +CH$LINK: PUBCHEM CID:440914 CH$LINK: INCHIKEY CZEMYYICWZPENF-VOLTXKGXSA-N CH$LINK: COMPTOX DTXSID20331540 AC$INSTRUMENT: UPLC Waters, Quattro Ultima Pt Micromass