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
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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
    FSE PDBe
    12015309 PubChem: Drugs of the Future
    DB07795 DrugBank
    C10041 KEGG Ligand
    CHEMBL31574 ChEMBL
    5182 Guide to Pharmacology
    J1.584I Nikkaji
    ZINC000000039111 ZINC
    JOPVAN CCDC
    DTXSID4022317 EPA CompTox Dashboard
    92074 Brenda
    HY-N0182 MedChemExpress
    7457 BindingDB
    LMPK12111566 LipidMaps
    42567 ChEBI
    MCULE-8216354240 Mcule
    SCHEMBL39454 SureChEMBL
    20096805 NMRShiftDB
    125032 Brenda
    1257 Brenda
    156717 Brenda
    MTBLC42567 Metabolights
    110309 Brenda
    CB8451569 ChemicalBook
    5281614 PubChem
    PD001338 ProbesDrugs
    FISETIN clinicaltrials
    OO2ABO9578 FDA SRS
    14922300 PubChem: Thomson Pharma
    LSM-6579 LINCS
    528-48-3 ACToR
    Fisetin(Fustel) Selleck
    fisetin Atlas
    711423 eMolecules
    The data in this table is sourced from UniChem at EBI.