Dataset

3-hydroxybenzoic acid; LC-ESI-ITFT; MS2; CE: 50%; R=7500; [M-H]-

This MassBank record with Accession MSBNK-MetaboLights-ML001351 contains the MS2 mass spectrum of 3-hydroxybenzoic acid with the InChIkey IJFXRHURBJZNAO-UHFFFAOYSA-N.

Chemical Information

molecular Image
InChI InChI=1S/C7H6O3/c8-6-3-1-2-5(4-6)7(9)10/h1-4,8H,(H,9,10)
SMILES O=C(O)c1cccc(O)c1
InChI Key IJFXRHURBJZNAO-UHFFFAOYSA-N
Molecular Formula C7H6O3
Exact Mass 138.032 g/mol

Data and Resources

Metadata Information

Field Value
DOI
License URL https://creativecommons.org/licenses/by-sa/4.0
Source https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-MetaboLights-ML001351
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Author
Maintainer
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MetadataPublished 2014-11-14
Related Molecule
  • 3-hydroxybenzoic acid
    • Field Value
    Measurement Technique liquid chromatography-mass spectrometry
    Measurement Variables
    Data-Source Molecule ID Data-Source
    CHEBI:30764 chebi
    3HB rcsb_pdb
    CHEMBL65369 chembl
    29378849 surechembl
    40078 surechembl
    7420 pubchem
    2ZFW40OJ7U fdasrs
    PD144440 probes_and_drugs
    BIDLOP CCDC
    1002 brenda
    13194 brenda
    3970 brenda
    43303 brenda
    3HB pdbe
    HMDB0002466 hmdb
    Molport-000-004-309 molport
    50336491 bindingdb
    The data in this table is sourced from UniChem at EBI.