Dataset

3'-CHLOROFLAVONE; EI-B; MS

This MassBank record with Accession MSBNK-Fac_Eng_Univ_Tokyo-JP000701 contains the MS mass spectrum of 3'-CHLOROFLAVONE with the InChIkey JWTQJUQJIRWZLA-UHFFFAOYSA-N.

Chemical Information

molecular Image
InChI InChI=1S/C15H9ClO2/c16-11-5-3-4-10(8-11)15-9-13(17)12-6-1-2-7-14(12)18-15/h1-9H
SMILES Clc(c3)cc(cc3)C(=C1)Oc(c2)c(ccc2)C(=O)1
InChI Key JWTQJUQJIRWZLA-UHFFFAOYSA-N
Molecular Formula C15H9ClO2
Exact Mass 256.029 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-Fac_Eng_Univ_Tokyo-JP000701
Version
Author
Maintainer
Language
MetadataPublished 2016-01-19
Related Molecule
  • 2-(3-chlorophenyl)chromen-4-one
    • Field Value
    Measurement Technique liquid chromatography-mass spectrometry
    Measurement Variables
    Data-Source Molecule ID Data-Source
    CHEMBL56414 ChEMBL
    J46.316G Nikkaji
    50540959 BindingDB
    SCHEMBL6655676 SureChEMBL
    466272 PubChem
    DTXSID90877925 EPA CompTox Dashboard
    ZINC000006583548 ZINC
    The data in this table is sourced from UniChem at EBI.