Dataset

Omethoate; LC-ESI-QTOF; MS2; CE: 10 eV; R=35000; [M+Na]+

This MassBank record with Accession MSBNK-Athens_Univ-AU302730 contains the MS2 mass spectrum of Omethoate with the InChIkey PZXOQEXFMJCDPG-UHFFFAOYSA-N.

Chemical Information

molecular Image
InChI InChI=1S/C5H12NO4PS/c1-6-5(7)4-12-11(8,9-2)10-3/h4H2,1-3H3,(H,6,7)
SMILES CNC(=O)CSP(=O)(OC)OC
InChI Key PZXOQEXFMJCDPG-UHFFFAOYSA-N
Molecular Formula C5H12NO4PS
Exact Mass 213.022 g/mol

Data and Resources

Metadata Information

Field Value
DOI
License URL https://creativecommons.org/licenses/by/4.0
Source https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-Athens_Univ-AU302730
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Author
Maintainer
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MetadataPublished 2016-02-28
Related Molecule
  • 2-dimethoxyphosphorylsulfanyl-N-methylacetamide
    • Field Value
    Measurement Technique liquid chromatography-mass spectrometry
    Measurement Variables
    Data-Source Molecule ID Data-Source
    CHEBI:38730 chebi
    CHEMBL2270068 chembl
    63063 surechembl
    14210 pubchem
    28U28EWE79 fdasrs
    8509 brenda
    DTXSID4037580 comptox
    50487987 bindingdb
    The data in this table is sourced from UniChem at EBI.