Dataset

p,p'-DDE; GC-EI-Q; MS; Positive

This MassBank record with Accession MSBNK-MSSJ-MSJ01050 contains the MS mass spectrum of p,p'-DDE with the InChIkey UCNVFOCBFJOQAL-UHFFFAOYSA-N.

Chemical Information

molecular Image
InChI InChI=1S/C14H8Cl4/c15-11-5-1-9(2-6-11)13(14(17)18)10-3-7-12(16)8-4-10/h1-8H
SMILES C1=CC(=CC=C1C(=C(Cl)Cl)C2=CC=C(C=C2)Cl)Cl
InChI Key UCNVFOCBFJOQAL-UHFFFAOYSA-N
Molecular Formula C14H8Cl4
Exact Mass 315.938 g/mol

Data and Resources

Metadata Information

Field Value
DOI
License URL https://creativecommons.org/licenses/by/4.0
Source https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-MSSJ-MSJ01050
Version
Author
Maintainer
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MetadataPublished 2017-07-13
Related Molecule
  • 1-chloro-4-[2,2-dichloro-1-(4-chlorophenyl)ethenyl]benzene
    • Field Value
    Measurement Technique liquid chromatography-mass spectrometry
    Measurement Variables
    Data-Source Molecule ID Data-Source
    CHEBI:16598 chebi
    6WS rcsb_pdb
    CHEMBL363207 chembl
    177472 surechembl
    3035 pubchem
    4M7FS82U08 fdasrs
    PD015509 probes_and_drugs
    DCLPEY CCDC
    157564 brenda
    45003 brenda
    6WS - Ideal conformer pdbe
    HMDB0304759 hmdb
    Molport-003-665-464 molport
    50410512 bindingdb
    The data in this table is sourced from UniChem at EBI.