Dataset

4-hydroxybenzaldehyde; LC-ESI-ITFT; MS2; CE: 50%; R=7500; [M-H]-

This MassBank record with Accession MSBNK-MetaboLights-ML001651 contains the MS2 mass spectrum of 4-hydroxybenzaldehyde with the InChIkey RGHHSNMVTDWUBI-UHFFFAOYSA-N.

Chemical Information

molecular Image
InChI InChI=1S/C7H6O2/c8-5-6-1-3-7(9)4-2-6/h1-5,9H
SMILES O=Cc1ccc(O)cc1
InChI Key RGHHSNMVTDWUBI-UHFFFAOYSA-N
Molecular Formula C7H6O2
Exact Mass 122.037 g/mol

Data and Resources

Metadata Information

Field Value
DOI
License URL https://creativecommons.org/licenses/by-sa/4.0
Source https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-MetaboLights-ML001651
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Maintainer
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MetadataPublished 2014-11-14
Related Molecule
  • 4-hydroxybenzaldehyde
    • Field Value
    Measurement Technique liquid chromatography-mass spectrometry
    Measurement Variables
    Data-Source Molecule ID Data-Source
    DB03560 drugbank
    CHEBI:17597 chebi
    HBA rcsb_pdb
    CHEMBL14193 chembl
    37193 surechembl
    126 pubchem
    O1738X3Y38 fdasrs
    13597 gtopdb
    PD006812 probes_and_drugs
    PHBALD CCDC
    108410 brenda
    140886 brenda
    233478 brenda
    34543 brenda
    3659 brenda
    711 brenda
    HBA pdbe
    HMDB0011718 hmdb
    Molport-000-871-206 molport
    50177411 bindingdb
    The data in this table is sourced from UniChem at EBI.