Dataset

4-Hydroxycoumarin; LC-ESI-ITFT; MS2; CE: 170%; R=15000; [M+H]+

This MassBank record with Accession MSBNK-NaToxAq-NA000196 contains the MS2 mass spectrum of 4-Hydroxycoumarin with the InChIkey VXIXUWQIVKSKSA-UHFFFAOYSA-N.

Chemical Information

molecular Image
InChI InChI=1S/C9H6O3/c10-7-5-9(11)12-8-4-2-1-3-6(7)8/h1-5,10H
SMILES OC1=CC(=O)OC2=CC=CC=C12
InChI Key VXIXUWQIVKSKSA-UHFFFAOYSA-N
Molecular Formula C9H6O3
Exact Mass 162.032 g/mol

Data and Resources

Metadata Information

Field Value
DOI
License URL https://creativecommons.org/licenses/by/4.0
Source https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-NaToxAq-NA000196
Version
Author
Maintainer
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MetadataPublished 2018-08-29
Related Molecule
  • 4-hydroxychromen-2-one
    • Field Value
    Measurement Technique liquid chromatography-mass spectrometry
    Measurement Variables
    Data-Source Molecule ID Data-Source
    DB03410 drugbank
    CHEBI:40070 chebi
    4HC rcsb_pdb
    CHEMBL301141 chembl
    131312 surechembl
    29452306 surechembl
    54682930 pubchem
    X954ZLL2RD fdasrs
    PD016118 probes_and_drugs
    HOXCUM CCDC
    110262 brenda
    170389 brenda
    190079 brenda
    4484 brenda
    Molport-000-294-754 molport
    50055710 bindingdb
    The data in this table is sourced from UniChem at EBI.