Dataset

Fisetin; LC-ESI-QTOF; MS2; [M+H]+; CE: 30eV

This MassBank record with Accession MSBNK-Fiocruz-FIO00087 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 Oc(c3)cc(O1)c(c3)C(=O)C(O)=C1c(c2)cc(O)c(O)c2
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-nc/4.0
Source https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-Fiocruz-FIO00087
Version
Author
Maintainer
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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
    FSE pdbe
    5182 gtopdb
    PD001338 probes_and_drugs
    JOPVAN CCDC
    110309 brenda
    125032 brenda
    1257 brenda
    156717 brenda
    92074 brenda
    CHEBI:42567 chebi
    DTXSID4022317 comptox
    NCT02909686 clinicaltrials
    NCT03325322 clinicaltrials
    NCT03430037 clinicaltrials
    NCT03675724 clinicaltrials
    NCT04210986 clinicaltrials
    NCT04313634 clinicaltrials
    NCT04476953 clinicaltrials
    NCT04537299 clinicaltrials
    NCT04733534 clinicaltrials
    NCT04770064 clinicaltrials
    NCT04771611 clinicaltrials
    NCT04815902 clinicaltrials
    NCT05025956 clinicaltrials
    NCT05276895 clinicaltrials
    NCT05276895 clinicaltrials
    NCT05416515 clinicaltrials
    NCT05482672 clinicaltrials
    NCT05505747 clinicaltrials
    NCT05593588 clinicaltrials
    NCT05595499 clinicaltrials
    NCT05758246 clinicaltrials
    NCT06113016 clinicaltrials
    NCT06133634 clinicaltrials
    NCT06399809 clinicaltrials
    NCT06431932 clinicaltrials
    Molport-000-882-130 molport
    7457 bindingdb
    The data in this table is sourced from UniChem at EBI.