Dataset

Chlorpyrifos-methyl; LC-ESI-QFT; MS2; CE: 90%; R=15000; [M+H]+

This MassBank record with Accession MSBNK-Eawag-EQ00295106 contains the MS2 mass spectrum of Chlorpyrifos-methyl with the InChIkey HRBKVYFZANMGRE-UHFFFAOYSA-N.

Chemical Information

molecular Image
InChI InChI=1S/C7H7Cl3NO3PS/c1-12-15(16,13-2)14-7-5(9)3-4(8)6(10)11-7/h3H,1-2H3
SMILES COP(=S)(OC)OC1=NC(Cl)=C(Cl)C=C1Cl
InChI Key HRBKVYFZANMGRE-UHFFFAOYSA-N
Molecular Formula C7H7Cl3NO3PS
Exact Mass 320.895 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-EQ00295106
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MetadataPublished 2024-06-14
Related Molecule
  • dimethoxy-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:34632 chebi
    CHEMBL1370646 chembl
    27546 surechembl
    21803 pubchem
    O49S38267J fdasrs
    PD080409 probes_and_drugs
    MCPHOT CCDC
    130509 brenda
    206582 brenda
    22219 brenda
    36924 brenda
    HMDB0250138 hmdb
    The data in this table is sourced from UniChem at EBI.