Dataset

Gentisic acid; LC-ESI-Q; MS; NEG; 60 V, 75 V

This MassBank record with Accession MSBNK-Waters-WA000502 contains the MS 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/4.0
Source https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-Waters-WA000502
Version
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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
    No additional information available for this Dataset.