Dataset

Demeton-S-Methyl; LC-ESI-QFT; MS2; CE: 30%; R=17500; [M+H]+

This MassBank record with Accession MSBNK-Eawag-EQ01122502 contains the MS2 mass spectrum of Demeton-S-Methyl with the InChIkey WEBQKRLKWNIYKK-UHFFFAOYSA-N.

Chemical Information

molecular Image
InChI InChI=1S/C6H15O3PS2/c1-4-11-5-6-12-10(7,8-2)9-3/h4-6H2,1-3H3
SMILES CCSCCSP(=O)(OC)OC
InChI Key WEBQKRLKWNIYKK-UHFFFAOYSA-N
Molecular Formula C6H15O3PS2
Exact Mass 230.020 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-EQ01122502
Version
Author
Maintainer
Language
MetadataPublished 2023-04-27
Related Molecule
  • 1-dimethoxyphosphorylsulfanyl-2-ethylsulfanylethane
    • Field Value
    Measurement Technique liquid chromatography-mass spectrometry
    Measurement Variables
    Data-Source Molecule ID Data-Source
    CHEBI:38624 chebi
    CHEMBL1898805 chembl
    73358 surechembl
    13526 pubchem
    130679 brenda
    140609 brenda
    17883 brenda
    7054 brenda
    HU8BO5S9WK fdasrs
    HMDB0250995 hmdb
    Molport-003-933-295 molport
    50487990 bindingdb
    The data in this table is sourced from UniChem at EBI.