Dataset

3,7,4'-Trihydroxyflavone; LC-ESI-QTOF; MS2; CE 10 ev; [M+H]+

This MassBank record with Accession MSBNK-Washington_State_Univ-BML00317 contains the MS2 mass spectrum of 3,7,4'-Trihydroxyflavone with the InChIkey OBWHQJYOOCRPST-UHFFFAOYSA-N.

Chemical Information

molecular Image
InChI InChI=1S/C15H10O5/c16-9-3-1-8(2-4-9)15-14(19)13(18)11-6-5-10(17)7-12(11)20-15/h1-7,16-17,19H
SMILES C1=CC(=CC=C1C2=C(C(=O)C3=C(O2)C=C(C=C3)O)O)O
InChI Key OBWHQJYOOCRPST-UHFFFAOYSA-N
Molecular Formula C15H10O5
Exact Mass 270.053 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-BML00317
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MetadataPublished 2016-01-19
Related Molecule
  • 3,7-dihydroxy-2-(4-hydroxyphenyl)chromen-4-one
    • Field Value
    Measurement Technique liquid chromatography-mass spectrometry
    Measurement Variables
    Data-Source Molecule ID Data-Source
    5281611 PubChem
    60022442 NMRShiftDB
    PD117619 ProbesDrugs
    127404 Brenda
    14750505 PubChem: Thomson Pharma
    2034-65-3 ACToR
    SCHEMBL344710 SureChEMBL
    196244 ChEBI
    4368682 eMolecules
    172821 Brenda
    23228 Brenda
    110173 Brenda
    ZINC000006093351 ZINC
    HMDB0034004 Human Metabolome Database
    MCULE-6811611432 Mcule
    HY-111806 MedChemExpress
    DTXSID90174249 EPA CompTox Dashboard
    26657 BindingDB
    J884B Nikkaji
    LMPK12111552 LipidMaps
    CB4146687 ChemicalBook
    C10037 KEGG Ligand
    CHEMBL242383 ChEMBL
    The data in this table is sourced from UniChem at EBI.