RefMet: A Reference set of Metabolite names

(A total of 187184 compounds or isobaric mixtures as of 04/25/25)
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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
RM0134978
2,3-Diaminopropionic acid
2,3-Diaminopropionic acid
 | MS spectra		97328Organic acidsAmino acids and peptidesAmino acidsC3H8N2O2104.0586
RM0136869
2-Cyanopyridine
2-Cyanopyridine
 | MS spectra		7522AlkaloidsPyridine alkaloidsNicotinic acid alkaloidsC6H4N2104.0374
RM0153654
2-Hydroxybutyric acid
2-Hydroxybutyric acid
11266Fatty AcylsFatty acidsHydroxy FAC4H8O3104.0473
RM0071880
2-Hydroxybutyric acid/2-Hydroxyisobutyric acid
-Fatty AcylsFatty acidsHydroxy FAC4H8O3104.0473
RM0139716
2-Hydroxyisobutyric acid
2-Hydroxyisobutyric acid
 | MS spectra		11671Fatty AcylsFatty acidsHydroxy FAC4H8O3104.0473
RM0153188
2R-Hydroxybutyric acid
2R-Hydroxybutyric acid
449265Fatty AcylsFatty acidsHydroxy FAC4H8O3104.0473
RM0153666
2S-Hydroxybutyric acid
2S-Hydroxybutyric acid
440864Fatty AcylsFatty acidsHydroxy FAC4H8O3104.0473
RM0153056
3-Hydroxybutyric acid
3-Hydroxybutyric acid
441Fatty AcylsFatty acidsHydroxy FAC4H8O3104.0473
RM0139461
3-Hydroxyisobutyric acid
3-Hydroxyisobutyric acid
440873Fatty AcylsFatty acidsHydroxy FAC4H8O3104.0473
RM0157580
3-(Methylthio)propanal
3-(Methylthio)propanal
18635Organic oxygen compoundsCarbonyl compoundsAlpha-hydrogen aldehydesC4H8OS104.0296
RM0152271
3R-Hydroxybutyric acid
3R-Hydroxybutyric acid
92135Fatty AcylsFatty acidsHydroxy FAC4H8O3104.0473
RM0153669
3R-Hydroxyisobutyric acid
3R-Hydroxyisobutyric acid
11217234Fatty AcylsFatty acidsHydroxy FAC4H8O3104.0473
RM0153113
4-Hydroxybutyric acid
4-Hydroxybutyric acid
10413Fatty AcylsFatty acidsHydroxy FAC4H8O3104.0473
RM0028739
Choline
Choline
 | MS spectra		305Organic nitrogen compoundsCholinesCholinesC5H14NO104.1075
RM0004087
Cyanopyridine
-AlkaloidsPyridine alkaloidsNicotinic acid alkaloidsC6H4N2104.0374
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