Dataset

Dimethoate; LC-ESI-ITFT; MS2; CE: 55; R=15000; [M+H]+

This MassBank record with Accession MSBNK-UFZ-UF400301 contains the MS2 mass spectrum of Dimethoate with the InChIkey MCWXGJITAZMZEV-UHFFFAOYSA-N.

Chemical Information

molecular Image
InChI InChI=1S/C5H12NO3PS2/c1-6-5(7)4-12-10(11,8-2)9-3/h4H2,1-3H3,(H,6,7)
SMILES CNC(=O)CSP(=S)(OC)OC
InChI Key MCWXGJITAZMZEV-UHFFFAOYSA-N
Molecular Formula C5H12NO3PS2
Exact Mass 229.000 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-UFZ-UF400301
Version
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Maintainer
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MetadataPublished 2017-01-05
Related Molecule
  • 2-dimethoxyphosphinothioylsulfanyl-N-methylacetamide
    • Field Value
    Measurement Technique liquid chromatography-mass spectrometry
    Measurement Variables
    Data-Source Molecule ID Data-Source
    CHEBI:34714 chebi
    CHEMBL1569524 chembl
    18159 surechembl
    3082 pubchem
    W6U08B045O fdasrs
    PD080613 probes_and_drugs
    IPCPYB CCDC
    29947 brenda
    HMDB0251379 hmdb
    The data in this table is sourced from UniChem at EBI.