Dataset

Chlorpyrifos; LC-ESI-QFT; MS2; CE: 75%; R=15000; [M+H]+

This MassBank record with Accession MSBNK-Eawag-EQ00295005 contains the MS2 mass spectrum of Chlorpyrifos with the InChIkey SBPBAQFWLVIOKP-UHFFFAOYSA-N.

Chemical Information

molecular Image
InChI InChI=1S/C9H11Cl3NO3PS/c1-3-14-17(18,15-4-2)16-9-7(11)5-6(10)8(12)13-9/h5H,3-4H2,1-2H3
SMILES CCOP(=S)(OCC)OC1=NC(Cl)=C(Cl)C=C1Cl
InChI Key SBPBAQFWLVIOKP-UHFFFAOYSA-N
Molecular Formula C9H11Cl3NO3PS
Exact Mass 348.926 g/mol

Data and Resources

Metadata Information

Field Value
DOI
License URL https://creativecommons.org/licenses/by-sa/4.0
Source https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-Eawag-EQ00295005
Version
Author
Maintainer
Language
MetadataPublished 2024-06-14
Related Molecule
  • diethoxy-sulfanylidene-(3,5,6-trichloropyridin-2-yl)oxy-lambda5-phosphane
    • Field Value
    Measurement Technique liquid chromatography-mass spectrometry
    Measurement Variables
    Data-Source Molecule ID Data-Source
    CHEBI:34631 chebi
    CHEMBL463210 chembl
    21680 surechembl
    2730 pubchem
    JCS58I644W fdasrs
    PD001934 probes_and_drugs
    CPYRIF CCDC
    101825 brenda
    1806 brenda
    182600 brenda
    44604 brenda
    HMDB0041856 hmdb
    74063 bindingdb
    The data in this table is sourced from UniChem at EBI.