Dataset

Protocatechuic aldehyde; LC-ESI-QTOF; MS

This MassBank record with Accession MSBNK-BS-BS003266 contains the MS mass spectrum of Protocatechuic aldehyde with the InChIkey IBGBGRVKPALMCQ-UHFFFAOYSA-N.

Chemical Information

molecular Image
InChI InChI=1S/C7H6O3/c8-4-5-1-2-6(9)7(10)3-5/h1-4,9-10H
SMILES C1(=C(C(=C(C(=C1C(=O)[H])[H])O[H])O[H])[H])[H]
InChI Key IBGBGRVKPALMCQ-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-nc-sa/4.0
Source https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-BS-BS003266
Version
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Maintainer
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MetadataPublished 2017-12-01
Related Molecule
  • 3,4-dihydroxybenzaldehyde
    • Field Value
    Measurement Technique liquid chromatography-mass spectrometry
    Measurement Variables
    Data-Source Molecule ID Data-Source
    DB11268 drugbank
    CHEBI:50205 chebi
    H6N rcsb_pdb
    CHEMBL222021 chembl
    29349539 surechembl
    36350 surechembl
    8768 pubchem
    4PVP2HCH4T fdasrs
    PD071988 probes_and_drugs
    MASBUD CCDC
    125405 brenda
    136397 brenda
    140876 brenda
    2458 brenda
    2666 brenda
    3665 brenda
    91692 brenda
    HMDB0059965 hmdb
    Molport-000-672-422 molport
    4612 drugcentral
    50192743 bindingdb
    The data in this table is sourced from UniChem at EBI.