Molecule

3-hydroxybutanoic acid

Chemical Information

Molecular Image

InChI	InChI=1S/C4H8O3/c1-3(5)2-4(6)7/h3,5H,2H2,1H3,(H,6,7)
SMILES	CC(CC(=O)O)O
InChI Key	WHBMMWSBFZVSSR-UHFFFAOYSA-N
Exact Mass	104.105 g/mol

13 Related Dataset(s) ⌄

3-Hydroxybutyric acid; LC-ESI-ITFT; MS2; CE: 100; [M-H]-

3-Hydroxybutyric acid; LC-ESI-ITFT; MS2; CE: 10; [M-H]-

3-Hydroxybutyric acid; LC-ESI-ITFT; MS2; CE: 20; [M-H]-

3-Hydroxybutyric acid; LC-ESI-ITFT; MS2; CE: 30; [M-H]-

3-Hydroxybutyric acid; LC-ESI-ITFT; MS2; CE: 40; [M-H]-

3-Hydroxybutyric acid; LC-ESI-ITFT; MS2; CE: 60; [M-H]-

DL-beta-Hydroxybutyric acid; GC-EI-TOF; MS; 2 TMS; BP:73

DL-beta-Hydroxybutyric acid; GC-EI-TOF; MS; n TMS; RT:354.454 sec

DL-beta-Hydroxybutyric acid; GC-EI-TOF; MS; n TMS; RT:604.694 sec

DL-beta-Hydroxybutyric acid; LC-ESI-IT; MS2; m/z: 105.1; [M+H]+

DL-beta-Hydroxybutyric acid; LC-ESI-QQ; MS2

DL-beta-Hydroxybutyric acid; LC-ESI-QTOF; MS2

DL-beta-Hydroxybutyric acid; LC-ESI-QTOF; MS2; CE:Ramp 5-60 V; [M-H]-

Metadata Information

Field	Value
NFDI4Chem Molecule ID	nfdi4chem-mol88595
Source
Alternate Name

Field	Value
No additional information available for this Dataset.

Data-Source Molecule ID	Data-Source
DB16506	drugbank
CHEBI:20067	chebi
LMFA01050005	lipidmaps
CHEMBL1162496	chembl
2731	surechembl
441	pubchem
TZP1275679	fdasrs
1593	gtopdb
4699	gtopdb
PD057066	probes_and_drugs
100484	brenda
129842	brenda
15740	brenda
177252	brenda
19979	brenda
19980	brenda
21392	brenda
2777	brenda
31982	brenda
3600	brenda
44081	brenda
DTXSID60859511	comptox
NCT02471040	clinicaltrials
NCT03560323	clinicaltrials
FDB021797	foodb
Molport-003-927-028	molport
The data in this table is sourced from UniChem at EBI.