Dataset

Demeton-S-Methyl Sulfone; LC-ESI-QFT; MS2; CE: 60%; R=17500; [M+H]+

This MassBank record with Accession MSBNK-Eawag-EQ01122604 contains the MS2 mass spectrum of Demeton-S-Methyl Sulfone with the InChIkey PZIRJMYRYORVIT-UHFFFAOYSA-N.

Chemical Information

molecular Image
InChI InChI=1S/C6H15O5PS2/c1-4-14(8,9)6-5-13-12(7,10-2)11-3/h4-6H2,1-3H3
SMILES CCS(=O)(=O)CCSP(=O)(OC)OC
InChI Key PZIRJMYRYORVIT-UHFFFAOYSA-N
Molecular Formula C6H15O5PS2
Exact Mass 262.010 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-EQ01122604
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Maintainer
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MetadataPublished 2023-04-27
Related Molecule
  • 1-dimethoxyphosphorylsulfanyl-2-ethylsulfonylethane
    • Field Value
    Measurement Technique liquid chromatography-mass spectrometry
    Measurement Variables
    Data-Source Molecule ID Data-Source
    CHEBI:82118 chebi
    CHEMBL1871365 chembl
    120152 surechembl
    28213 pubchem
    RSO143122K fdasrs
    PD055617 probes_and_drugs
    Molport-006-109-717 molport
    The data in this table is sourced from UniChem at EBI.