Dataset

Fisetin; LC-ESI-QTOF; MS2; CE 40 ev; [M+H]+

This MassBank record with Accession MSBNK-Washington_State_Univ-BML00299 contains the MS2 mass spectrum of Fisetin with the InChIkey XHEFDIBZLJXQHF-UHFFFAOYSA-N.

Chemical Information

molecular Image
InChI InChI=1S/C15H10O6/c16-8-2-3-9-12(6-8)21-15(14(20)13(9)19)7-1-4-10(17)11(18)5-7/h1-6,16-18,20H
SMILES C1=CC(=C(C=C1C2=C(C(=O)C3=C(O2)C=C(C=C3)O)O)O)O
InChI Key XHEFDIBZLJXQHF-UHFFFAOYSA-N
Molecular Formula C15H10O6
Exact Mass 286.048 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-Washington_State_Univ-BML00299
Version
Author
Maintainer
Language
MetadataPublished 2016-01-19
Related Molecule
  • 2-(3,4-dihydroxyphenyl)-3,7-dihydroxychromen-4-one
    • Field Value
    Measurement Technique liquid chromatography-mass spectrometry
    Measurement Variables
    Data-Source Molecule ID Data-Source
    DB07795 drugbank
    LMPK12111566 lipidmaps
    FSE rcsb_pdb
    CHEMBL31574 chembl
    29349742 surechembl
    29381611 surechembl
    29394036 surechembl
    39454 surechembl
    5281614 pubchem
    OO2ABO9578 fdasrs
    5182 gtopdb
    PD001338 probes_and_drugs
    JOPVAN CCDC
    110309 brenda
    125032 brenda
    1257 brenda
    156717 brenda
    92074 brenda
    Molport-000-882-130 molport
    7457 bindingdb
    The data in this table is sourced from UniChem at EBI.