Dataset

Formononetin; LC-ESI-QTOF; MS2; CE:20 eV; [M-H]-

This MassBank record with Accession MSBNK-BS-BS003358 contains the MS2 mass spectrum of Formononetin with the InChIkey HKQYGTCOTHHOMP-UHFFFAOYSA-N.

Chemical Information

molecular Image
InChI InChI=1S/C16H12O4/c1-19-12-5-2-10(3-6-12)14-9-20-15-8-11(17)4-7-13(15)16(14)18/h2-9,17H,1H3
SMILES C(OC1=C(C(=C(C(=C1[H])[H])C2=C(OC3=C(C2=O)C(=C(C(=C3[H])O[H])[H])[H])[H])[H])[H])([H])([H])[H]
InChI Key HKQYGTCOTHHOMP-UHFFFAOYSA-N
Molecular Formula C16H12O4
Exact Mass 268.074 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-BS003358
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Maintainer
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MetadataPublished 2017-12-01
Related Molecule
  • 7-hydroxy-3-(4-methoxyphenyl)chromen-4-one
    • Field Value
    Measurement Technique liquid chromatography-mass spectrometry
    Measurement Variables
    Data-Source Molecule ID Data-Source
    DB15335 drugbank
    CHEBI:18088 chebi
    LMPK12050037 lipidmaps
    CHEMBL242341 chembl
    29361145 surechembl
    62915 surechembl
    5280378 pubchem
    295DQC67BJ fdasrs
    PD002254 probes_and_drugs
    KOVWIB CCDC
    164091 brenda
    195605 brenda
    240561 brenda
    2655 brenda
    96508 brenda
    HMDB0005808 hmdb
    Molport-000-450-946 molport
    50021398 bindingdb
    The data in this table is sourced from UniChem at EBI.