Dataset

Quercetin; LC-ESI-QTOF; MS2; CE:40 eV; [M-H]-

This MassBank record with Accession MSBNK-BS-BS003393 contains the MS2 mass spectrum of Quercetin with the InChIkey REFJWTPEDVJJIY-UHFFFAOYSA-N.

Chemical Information

molecular Image
InChI InChI=1S/C15H10O7/c16-7-4-10(19)12-11(5-7)22-15(14(21)13(12)20)6-1-2-8(17)9(18)3-6/h1-5,16-19,21H
SMILES C1(=C(C(=C(C(=C1C2=C(C(=O)C3=C(C(=C(C(=C3O2)[H])O[H])[H])O[H])O[H])[H])O[H])O[H])[H])[H]
InChI Key REFJWTPEDVJJIY-UHFFFAOYSA-N
Molecular Formula C15H10O7
Exact Mass 302.043 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-BS003393
Version
Author
Maintainer
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MetadataPublished 2017-12-01
Related Molecule
  • 2-(3,4-dihydroxyphenyl)-3,5,7-trihydroxychromen-4-one
    • Field Value
    Measurement Technique liquid chromatography-mass spectrometry
    Measurement Variables
    Data-Source Molecule ID Data-Source
    DB04216 drugbank
    CHEBI:16243 chebi
    LMPK12110004 lipidmaps
    QUE rcsb_pdb
    CHEMBL50 chembl
    19723 surechembl
    29351036 surechembl
    29353785 surechembl
    29723041 surechembl
    5280343 pubchem
    9IKM0I5T1E fdasrs
    5346 gtopdb
    PD001643 probes_and_drugs
    NAFZEC CCDC
    110161 brenda
    137 brenda
    14893 brenda
    19386 brenda
    212703 brenda
    215295 brenda
    229833 brenda
    229834 brenda
    37996 brenda
    43252 brenda
    57443 brenda
    HMDB0005794 hmdb
    Molport-001-740-557 molport
    3514 drugcentral
    7460 bindingdb
    The data in this table is sourced from UniChem at EBI.