Dataset

Flavone; LC-ESI-QTOF; MS2

This MassBank record with Accession MSBNK-RIKEN-PR303185 contains the MS2 mass spectrum of Flavone with the InChIkey VHBFFQKBGNRLFZ-UHFFFAOYSA-N.

Chemical Information

molecular Image
InChI InChI=1S/C15H10O2/c16-13-10-15(11-6-2-1-3-7-11)17-14-9-5-4-8-12(13)14/h1-10H
SMILES O=C1C=C(OC2=CC=CC=C12)C1=CC=CC=C1
InChI Key VHBFFQKBGNRLFZ-UHFFFAOYSA-N
Molecular Formula C15H10O2
Exact Mass 222.243 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-RIKEN-PR303185
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MetadataPublished 2019-03-28
Related Molecule
  • 2-phenylchromen-4-one
    • Field Value
    Measurement Technique liquid chromatography-mass spectrometry
    Measurement Variables
    Data-Source Molecule ID Data-Source
    DB07776 DrugBank
    C15608 KEGG Ligand
    CHEMBL275638 ChEMBL
    FLN PDBe
    409 Guide to Pharmacology
    C10043 KEGG Ligand
    FLAVONE rxnorm
    FLAVONE clinicaltrials
    HY-N2424 MedChemExpress
    DTXSID2022048 EPA CompTox Dashboard
    FLAVONE DailyMed
    ZINC000000057674 ZINC
    J53.111A Nikkaji
    WADRAV CCDC
    50028962 BindingDB
    LMPK12110097 LipidMaps
    1617 Brenda
    CB7468498 ChemicalBook
    MTBLC42491 Metabolights
    84489 Brenda
    51326 Brenda
    HMDB0003075 Human Metabolome Database
    42491 ChEBI
    MCULE-3856134714 Mcule
    10016211 NMRShiftDB
    SCHEMBL18879 SureChEMBL
    10680 PubChem
    PD002224 ProbesDrugs
    S2V45N7G3B FDA SRS
    14797981 PubChem: Thomson Pharma
    525-82-6 ACToR
    11091-19-3 ACToR
    511256 eMolecules
    The data in this table is sourced from UniChem at EBI.