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
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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
    HY-N0094 MedChemExpress
    DTXSID5040679 EPA CompTox Dashboard
    1477 DrugCentral
    ZINC000000004016 ZINC
    J19.468I Nikkaji
    ZUHTIF CCDC
    43662 BindingDB
    IPRIFLAVONE rxnorm
    DB13618 DrugBank
    CHEMBL165790 ChEMBL
    SAM001246714 NIH Clinical Collection
    12013104 PubChem: Drugs of the Future
    3747 PubChem
    PD002503 ProbesDrugs
    80BJ7WN25Z FDA SRS
    LSM-5981 LINCS
    14873001 PubChem: Thomson Pharma
    35212-22-7 ACToR
    ipriflavone Selleck
    SCHEMBL111472 SureChEMBL
    503153 eMolecules
    HMDB0032987 Human Metabolome Database
    CB0698496 ChemicalBook
    MCULE-4241728982 Mcule
    20209011 NMRShiftDB
    31719 ChEBI
    The data in this table is sourced from UniChem at EBI.