Dataset

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

This MassBank record with Accession MSBNK-Keio_Univ-KO000889 contains the MS2 mass spectrum of Gallic acid with the InChIkey LNTHITQWFMADLM-UHFFFAOYSA-N.

Chemical Information

molecular Image
InChI InChI=1S/C7H6O5/c8-4-1-3(7(11)12)2-5(9)6(4)10/h1-2,8-10H,(H,11,12)
SMILES OC(=O)c(c1)cc(O)c(O)c(O)1
InChI Key LNTHITQWFMADLM-UHFFFAOYSA-N
Molecular Formula C7H6O5
Exact Mass 170.022 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-KO000889
Version
Author
Maintainer
Language
MetadataPublished 2016-01-19
Related Molecule
  • 3,4,5-trihydroxybenzoic acid
    • Field Value
    Measurement Technique liquid chromatography-mass spectrometry
    Measurement Variables
    Data-Source Molecule ID Data-Source
    CHEBI:30778 chebi
    GDE rcsb_pdb
    CHEMBL288114 chembl
    15012 surechembl
    6250605 surechembl
    173204431 pubchem
    370 pubchem
    632XD903SP fdasrs
    5549 gtopdb
    PD002145 probes_and_drugs
    IJUMEG CCDC
    183611 brenda
    1973 brenda
    4477 brenda
    5104 brenda
    764 brenda
    HMDB0005807 hmdb
    Molport-000-881-260 molport
    50085536 bindingdb
    The data in this table is sourced from UniChem at EBI.