Dataset

Gentisic acid; LC-ESI-QQ; MS2; CE:20 V; [M-H]-

This MassBank record with Accession MSBNK-Keio_Univ-KO000575 contains the MS2 mass spectrum of Gentisic acid with the InChIkey WXTMDXOMEHJXQO-UHFFFAOYSA-N.

Chemical Information

molecular Image
InChI InChI=1S/C7H6O4/c8-4-1-2-6(9)5(3-4)7(10)11/h1-3,8-9H,(H,10,11)
SMILES Oc(c1)cc(C(O)=O)c(O)c1
InChI Key WXTMDXOMEHJXQO-UHFFFAOYSA-N
Molecular Formula C7H6O4
Exact Mass 154.027 g/mol

Data and Resources

Metadata Information

Field Value
DOI
License URL https://creativecommons.org/licenses/by-nc-sa/4.0
Source https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-Keio_Univ-KO000575
Version
Author
Maintainer
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MetadataPublished 2016-01-19
Related Molecule
  • 2,5-dihydroxybenzoic acid
    • Field Value
    Measurement Technique liquid chromatography-mass spectrometry
    Measurement Variables
    Data-Source Molecule ID Data-Source
    CHEBI:17189 chebi
    GTQ rcsb_pdb
    CHEMBL1461 chembl
    29349919 surechembl
    3690 surechembl
    3469 pubchem
    VP36V95O3T fdasrs
    PD002127 probes_and_drugs
    BESKAL CCDC
    2065 brenda
    21610 brenda
    221726 brenda
    6417 brenda
    HMDB0000152 hmdb
    200472 bindingdb
    201140 bindingdb
    50525819 bindingdb
    50620475 bindingdb
    50657730 bindingdb
    51049506 bindingdb
    51049544 bindingdb
    51049575 bindingdb
    51049606 bindingdb
    51049644 bindingdb
    51049675 bindingdb
    Molport-001-508-497 molport
    3260 drugcentral
    The data in this table is sourced from UniChem at EBI.