Dataset

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

This MassBank record with Accession MSBNK-mFam-MC20_000001 contains the MS2 mass spectrum of 3-Hydroxybutyric acid with the InChIkey WHBMMWSBFZVSSR-UHFFFAOYSA-N.

Chemical Information

Molecular Image
InChI InChI=1S/C4H8O3/c1-3(5)2-4(6)7/h3,5H,2H2,1H3,(H,6,7)
SMILES CC(O)CC(O)=O
InChI Key WHBMMWSBFZVSSR-UHFFFAOYSA-N
Molecular Formula C4H8O3
Exact Mass 104.047 g/mol

Data and Resources

Metadata Information

Field Value
DOI
License URL https://creativecommons.org/licenses/by/4.0
Source https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-mFam-MC20_000001
Version
Author
Maintainer
Language
MetadataPublished 2023-03-07
Related Molecule
  • 3-hydroxybutanoic acid
    • Field Value
    Measurement Technique liquid chromatography-mass spectrometry
    Measurement Variables
    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.