RefMet: A Reference set of Metabolite names

(A total of 187184 compounds or isobaric mixtures as of 04/24/25)
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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
RM0139109
(2S,4S)-4-Amino-2-hydroxy-2-methylpentanedioic acid
(2S,4S)-4-Amino-2-hydroxy-2-methylpentanedioic acid
440894Organic acidsAmino acids and peptidesAmino acidsC6H11NO5177.0637
RM0188800
3-Phenylpropyl isothiocyanate
3-Phenylpropyl isothiocyanate
75815BenzenoidsBenzenesPhenylpropanesC10H11NS177.0612
RM0006649
5-Hydroxytryptophol
5-Hydroxytryptophol
9061AlkaloidsTryptophan alkaloidsSimple indole alkaloidsC10H11NO2177.0790
RM0137181
Alliin
Alliin
 | MS spectra		87310Organic acidsAmino acids and peptidesAmino acidsC6H11NO3S177.0460
RM0129861
Aminohydroxymethylpentanedioic acid
-Organic acidsAmino acids and peptidesAmino acidsC6H11NO5177.0637
RM0137080
Dihomomethionine
Dihomomethionine
228215Organic acidsAmino acids and peptidesAmino acidsC7H15NO2S177.0824
RM0004802
Hydroxytryptophol
-AlkaloidsTryptophan alkaloidsSimple indole alkaloidsC10H11NO2177.0790
RM0136031
N-Formylmethionine
N-Formylmethionine
 | MS spectra		6995182Organic acidsAmino acids and peptidesAmino acidsC6H11NO3S177.0460
RM0158145
N-Lactoyl serine
N-Lactoyl serine
171117875Organic acidsAmino acids and peptidesAmino acidsC6H11NO5177.0637
RM0158223
N-Methyl-1-deoxynojirimycin
N-Methyl-1-deoxynojirimycin
4381AlkaloidsLysine alkaloidsPiperidine alkaloidsC7H15NO4177.1001
RM0040557
N-Methylnicotinium
N-Methylnicotinium
25203099AlkaloidsAlkaloidsOther alkaloidsC11H17N2177.1392
RM0037455
N'-Nitrosonornicotine
N'-Nitrosonornicotine
27919AlkaloidsPyridine alkaloidsNicotinic acid alkaloidsC9H11N3O177.0902
RM0027814
Phenmetrazine
Phenmetrazine
4762Organoheterocyclic compoundsMorpholinesMorpholinesC11H15NO177.1154
RM0188160
Sulforaphane
Sulforaphane
-Organosulfur compoundsOrganosulfur compoundsSulfoxidesC6H11NOS2177.0282
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