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# Header Column Structure Default Value Required Min Length Max Length
1 database_identifier single column False - -
2 chemical_formula single column False - -
3 smiles single column False - -
4 inchi single column False - -
5 metabolite_identification single column True 2 -
6 mass_to_charge single column False - -
7 fragmentation single column False - -
8 modifications single column False - -
9 charge single column False - -
10 retention_time single column False - -
11 taxid single column False - -
12 species single column False - -
13 database single column False - -
14 database_version single column False - -
15 reliability single column False - -
16 uri single column False - -
17 search_engine single column False - -
18 search_engine_score single column False - -
19 smallmolecule_abundance_sub single column False - -
20 smallmolecule_abundance_stdev_sub single column False - -
21 smallmolecule_abundance_std_error_sub single column False - -