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
RM0137082
1,3-Thiazolidine-2,5-dione
1,3-Thiazolidine-2,5-dione
542718Organic acidsAmino acids and peptidesAmino acidsC3H3NO2S116.9884
RM0134972
2S-Aminopentanoic acid
2S-Aminopentanoic acid
65098Organic acidsAmino acids and peptidesAmino acidsC5H11NO2117.0790
RM0153689
4-Aminopentanoic acid
4-Aminopentanoic acid
223130Fatty AcylsFatty acidsAmino FAC5H11NO2117.0790
RM0131856
4-(Methylamino)butyric acid
4-(Methylamino)butyric acid
70703Organic acidsAmino acids and peptidesAmino acidsC5H11NO2117.0790
RM0139552
5-Aminopentanoic acid
5-Aminopentanoic acid
 | MS spectra		138Fatty AcylsFatty acidsAmino FAC5H11NO2117.0790
RM0129660
Aminopentanoic acid
-Organic acidsAmino acids and peptidesAmino acidsC5H11NO2117.0790
RM0158490
Aspartate-semialdehyde
Aspartate-semialdehyde
439235Organic acidsAmino acids and peptidesAmino acidsC4H7NO3117.0426
RM0021572
Benzeneacetonitrile
Benzeneacetonitrile
8794BenzenoidsBenzenesBenzyl cyanidesC8H7N117.0578
RM0135869
Betaine
Betaine
 | MS spectra		247Organic acidsAmino acids and peptidesAmino acidsC5H11NO2117.0790
RM0136860
D-Valine
D-Valine
71563Organic acidsAmino acids and peptidesAmino acidsC5H11NO2117.0790
RM0040234
Guanidoacetic acid
Guanidoacetic acid
763Organic acidsAmino acids and peptidesAmino acidsC3H7N3O2117.0538
RM0135985
Indole
Indole
 | MS spectra		798AlkaloidsTryptophan alkaloidsSimple indole alkaloidsC8H7N117.0578
RM0134970
L-2-Amino-3-oxobutanoic acid
L-2-Amino-3-oxobutanoic acid
440033Organic acidsAmino acids and peptidesAmino acidsC4H7NO3117.0426
RM0021627
L-Homocysteine thiolactone
L-Homocysteine thiolactone
134505Organic acidsOrganic acidsCarbothioic S-lactonesC4H7NOS117.0248
RM0021863
Methyl 4-aminobutanoate
Methyl 4-aminobutanoate
18614Organic acidsCarboxylic acidsOther carboxylic acidsC5H11NO2117.0790
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