Dataset

BETA-1,2,3,4,5,6-HEXACHLOROCYCLOHEXANE; EI-B; MS

This MassBank record with Accession MSBNK-Fac_Eng_Univ_Tokyo-JP003406 contains the MS mass spectrum of BETA-1,2,3,4,5,6-HEXACHLOROCYCLOHEXANE with the InChIkey JLYXXMFPNIAWKQ-CDRYSYESSA-N.

Chemical Information

molecular Image
InChI InChI=1S/C6H6Cl6/c7-1-2(8)4(10)6(12)5(11)3(1)9/h1-6H/t1-,2-,3+,4+,5-,6-
SMILES Cl[C@@H]1[C@@H](Cl)[C@H](Cl)[C@@H](Cl)[C@H](Cl)[C@H]1Cl
InChI Key JLYXXMFPNIAWKQ-CDRYSYESSA-N
Molecular Formula C6H6Cl6
Exact Mass 287.860 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-JP003406
Version
Author
Maintainer
Language
MetadataPublished 2016-01-19
Related Molecule
  • nfdi4chem-mol23563(Unknown Molecule)
    • Field Value
    Measurement Technique liquid chromatography-mass spectrometry
    Measurement Variables
    Data-Source Molecule ID Data-Source
    CHEBI:28428 chebi
    CHEMBL389022 chembl
    25896 surechembl
    PD078891 probes_and_drugs
    HCCYHB CCDC
    190423 brenda
    24212 brenda
    YM80ODM9PD fdasrs
    HMDB0059785 hmdb
    The data in this table is sourced from UniChem at EBI.