RefMet: A Reference set of Metabolite names

(A total of 187184 compounds or isobaric mixtures as of 04/04/25)
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InChIKey: Mol. Formula: Exact mass:: +/- Daltons
Name: Super class(?): Main class(?): Sub class(?):
RefMet ID Metabolite name | MS spectra PubChem CID Super class Main class Sub class Formula Exact mass
RM0188757
1-Cyano-3,4-epithiobutane
1-Cyano-3,4-epithiobutane
100962Organic nitrogen compoundsCyanidesNitrilesC5H7NS113.0299
RM0118180
1-Pyrroline-2-carboxylic acid
1-Pyrroline-2-carboxylic acid
440046Organoheterocyclic compoundsPyrrolinesPyrrolinesC5H7NO2113.0477
RM0118021
1-Pyrroline-5-carboxylic acid
1-Pyrroline-5-carboxylic acid
440162Organoheterocyclic compoundsPyrrolinesPyrrolinesC5H7NO2113.0477
RM0029837
2-Acetylpyrrolidine
2-Acetylpyrrolidine
550747AlkaloidsOrnithine alkaloidsPyrrolidine alkaloidsC6H11NO113.0841
RM0029535
2-Nitrofuran
2-Nitrofuran
11865Organoheterocyclic compoundsFuransNitrofuransC4H3NO3113.0113
RM0112981
2-Nitroimidazole
2-Nitroimidazole
10701Organic acidsAllyl-type 1,3-dipolar organic compoundsAllyl-type 1,3-dipolar organic compoundsC3H3N3O2113.0225
RM0188754
3-Butenyl isothiocyanate
3-Butenyl isothiocyanate
76922Organosulfur compoundsOrganosulfur compoundsIsothiocyanatesC5H7NS113.0299
RM0003889
Acetylpyrrolidine
-AlkaloidsOrnithine alkaloidsPyrrolidine alkaloidsC6H11NO113.0841
RM0028430
Creatinine
Creatinine
 | MS spectra		137319715Organoheterocyclic compoundsAzolesImidazolinesC4H7N3O113.0589
RM0136896
Epsilon-caprolactam
Epsilon-caprolactam
7768Organoheterocyclic compoundsCaprolactamsCaprolactamsC6H11NO113.0841
RM0005141
Nitrofuran
-Organoheterocyclic compoundsFuransNitrofuransC4H3NO3113.0113
RM0005147
Nitroimidazole
-Organic acidsAllyl-type 1,3-dipolar organic compoundsAllyl-type 1,3-dipolar organic compoundsC3H3N3O2113.0225
RM0113110
Pyrrolinecarboxylic acid
-Organoheterocyclic compoundsPyrrolinesPyrrolinesC5H7NO2113.0477
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