Dataset

6-Bromo-3'-methylflavone; LC-ESI-QTOF; MS2; CE 20 ev; [M+H]+

This MassBank record with Accession MSBNK-Washington_State_Univ-BML01555 contains the MS2 mass spectrum of 6-Bromo-3'-methylflavone with the InChIkey VNLPVWHRKKWDQB-UHFFFAOYSA-N.

Chemical Information

molecular Image
InChI InChI=1S/C16H11BrO2/c1-10-3-2-4-11(7-10)16-9-14(18)13-8-12(17)5-6-15(13)19-16/h2-9H,1H3
SMILES CC1=CC=CC(=C1)C2=CC(=O)C3=C(O2)C=CC(=C3)Br
InChI Key VNLPVWHRKKWDQB-UHFFFAOYSA-N
Molecular Formula C16H11BrO2
Exact Mass 313.994 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-BML01555
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Author
Maintainer
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MetadataPublished 2016-01-19
Related Molecule
  • 6-bromo-2-(3-methylphenyl)chromen-4-one
    • Field Value
    Measurement Technique liquid chromatography-mass spectrometry
    Measurement Variables
    Data-Source Molecule ID Data-Source
    CHEMBL497781 ChEMBL
    J2.042.239D Nikkaji
    ZINC000000057790 ZINC
    MCULE-7214788565 Mcule
    SCHEMBL17179786 SureChEMBL
    688751 PubChem
    4368365 eMolecules
    The data in this table is sourced from UniChem at EBI.