Dataset

Dimethoate; ESI-QTOF; MS2; CE: 20; [M+H]+

This MassBank record with Accession MSBNK-AGILENT-AG000013 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-AGILENT-AG000013
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Maintainer
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MetadataPublished 2023-02-17
Related Molecule
  • 2-dimethoxyphosphinothioylsulfanyl-N-methylacetamide
    • Field Value
    Measurement Technique liquid chromatography-mass spectrometry
    Measurement Variables
    Data-Source Molecule ID Data-Source
    SCHEMBL18159 SureChEMBL
    20209451 NMRShiftDB
    SCHEMBL20525536 SureChEMBL
    29947 Brenda
    PD080613 ProbesDrugs
    W6U08B045O FDA SRS
    14994528 PubChem: Thomson Pharma
    60-51-5 ACToR
    11003-53-5 ACToR
    LSM-24992 LINCS
    CHEMBL1569524 ChEMBL
    34714 ChEBI
    C14326 KEGG Ligand
    ZINC000002041343 ZINC
    J1.926G Nikkaji
    HMDB0251379 Human Metabolome Database
    IPCPYB CCDC
    HY-B1946 MedChemExpress
    DTXSID7020479 EPA CompTox Dashboard
    502049 eMolecules
    CB0459837 ChemicalBook
    3082 PubChem
    The data in this table is sourced from UniChem at EBI.