Dataset

Omethoate; LC-ESI-QFT; MS2; CE: 120%; R=17500; [M+H]+

This MassBank record with Accession MSBNK-Eawag-EQ01128807 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 213.023 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-EQ01128807
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MetadataPublished 2023-04-27
Related Molecule
  • 2-dimethoxyphosphorylsulfanyl-N-methylacetamide
    • Field Value
    Measurement Technique liquid chromatography-mass spectrometry
    Measurement Variables
    Data-Source Molecule ID Data-Source
    SCHEMBL63063 SureChEMBL
    CHEMBL2270068 ChEMBL
    8509 Brenda
    2725451 eMolecules
    14210 PubChem
    16932424 PubChem: Thomson Pharma
    1113-02-6 ACToR
    28U28EWE79 FDA SRS
    J3.362F Nikkaji
    50487987 BindingDB
    ZINC000002039915 ZINC
    DTXSID4037580 EPA CompTox Dashboard
    38730 ChEBI
    C18662 KEGG Ligand
    The data in this table is sourced from UniChem at EBI.