Dataset

2,5-Dihydroxybenzoic acid; LC-ESI-QTOF; MS

This MassBank record with Accession MSBNK-BS-BS003105 contains the MS mass spectrum of 2,5-Dihydroxybenzoic 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 C1(=C(C(=C(C(=C1O[H])[H])C(=O)O[H])O[H])[H])[H]
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-BS-BS003105
Version
Author
Maintainer
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MetadataPublished 2017-12-01
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
    Molport-001-508-497 molport
    3260 drugcentral
    50335808 bindingdb
    The data in this table is sourced from UniChem at EBI.