Dataset

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

This MassBank record with Accession MSBNK-Washington_State_Univ-BML01781 contains the MS2 mass spectrum of Ipriflavone with the InChIkey SFBODOKJTYAUCM-UHFFFAOYSA-N.

Chemical Information

molecular Image
InChI InChI=1S/C18H16O3/c1-12(2)21-14-8-9-15-17(10-14)20-11-16(18(15)19)13-6-4-3-5-7-13/h3-12H,1-2H3
SMILES CC(C)OC1=CC2=C(C=C1)C(=O)C(=CO2)C3=CC=CC=C3
InChI Key SFBODOKJTYAUCM-UHFFFAOYSA-N
Molecular Formula C18H16O3
Exact Mass 280.110 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-BML01781
Version
Author
Maintainer
Language
MetadataPublished 2016-01-19
Related Molecule
  • 3-phenyl-7-propan-2-yloxychromen-4-one
    • Field Value
    Measurement Technique liquid chromatography-mass spectrometry
    Measurement Variables
    Data-Source Molecule ID Data-Source
    DB13618 drugbank
    CHEBI:31719 chebi
    CHEMBL165790 chembl
    111472 surechembl
    29485035 surechembl
    3747 pubchem
    80BJ7WN25Z fdasrs
    PD002503 probes_and_drugs
    ZUHTIF CCDC
    HMDB0032987 hmdb
    Molport-002-215-881 molport
    1477 drugcentral
    43662 bindingdb
    The data in this table is sourced from UniChem at EBI.