Dataset

Chlormephos; LC-ESI-QFT; MS2; CE: 45%; R=17500; [M+H]+

This MassBank record with Accession MSBNK-Eawag-EQ01133703 contains the MS2 mass spectrum of Chlormephos with the InChIkey QGTYWWGEWOBMAK-UHFFFAOYSA-N.

Chemical Information

molecular Image
InChI InChI=1S/C5H12ClO2PS2/c1-3-7-9(10,8-4-2)11-5-6/h3-5H2,1-2H3
SMILES CCOP(=S)(OCC)SCCl
InChI Key QGTYWWGEWOBMAK-UHFFFAOYSA-N
Molecular Formula C5H12ClO2PS2
Exact Mass 233.970 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-EQ01133703
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MetadataPublished 2023-04-27
Related Molecule
  • chloromethylsulfanyl-diethoxy-sulfanylidene-lambda5-phosphane
    • Field Value
    Measurement Technique liquid chromatography-mass spectrometry
    Measurement Variables
    Data-Source Molecule ID Data-Source
    38603 ChEBI
    CHEMBL1882960 ChEMBL
    C18686 KEGG Ligand
    J53.800K Nikkaji
    ZINC000002014295 ZINC
    DTXSID1037511 EPA CompTox Dashboard
    509648 eMolecules
    32739 PubChem
    24934-91-6 ACToR
    57583267 PubChem: Thomson Pharma
    1N10F47JUS FDA SRS
    SCHEMBL15332 SureChEMBL
    The data in this table is sourced from UniChem at EBI.