Dataset

4.4-DDE; GC-APCI-QTOF; MS2; CE: 30 eV; R=35000; [M]+

This MassBank record with Accession MSBNK-Athens_Univ-AU590119 contains the MS2 mass spectrum of 4.4-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 ClC(Cl)=C(C1=CC=C(Cl)C=C1)C1=CC=C(Cl)C=C1
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-Athens_Univ-AU590119
Version
Author
Maintainer
Language
MetadataPublished 2019-11-21
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
    HMDB0304759 hmdb
    Molport-003-665-464 molport
    50410512 bindingdb
    The data in this table is sourced from UniChem at EBI.