Dataset

3-CHLOROBENZOPHENONE; EI-B; MS

This MassBank record with Accession MSBNK-Fac_Eng_Univ_Tokyo-JP011178 contains the MS mass spectrum of 3-CHLOROBENZOPHENONE with the InChIkey CPLWKNRPZVNELG-UHFFFAOYSA-N.

Chemical Information

molecular Image
InChI InChI=1S/C13H9ClO/c14-12-8-4-7-11(9-12)13(15)10-5-2-1-3-6-10/h1-9H
SMILES Clc(c2)cc(cc2)C(=O)c(c1)cccc1
InChI Key CPLWKNRPZVNELG-UHFFFAOYSA-N
Molecular Formula C13H9ClO
Exact Mass 216.034 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-JP011178
Version
Author
Maintainer
Language
MetadataPublished 2016-01-19
Related Molecule
  • (3-chlorophenyl)-phenylmethanone
    • Field Value
    Measurement Technique liquid chromatography-mass spectrometry
    Measurement Variables
    Data-Source Molecule ID Data-Source
    20207419 NMRShiftDB
    CB5744260 ChemicalBook
    711499 eMolecules
    66098 PubChem
    SCHEMBL1133114 SureChEMBL
    16046109 PubChem: Thomson Pharma
    1016-78-0 ACToR
    MCULE-2431742829 Mcule
    ZINC000000105316 ZINC
    CB11020538 ChemicalBook
    J120.265K Nikkaji
    The data in this table is sourced from UniChem at EBI.