Dataset

Diazinon (Dimpylate); ESI-QTOF; MS2; CE: 20; [M+H]+

This MassBank record with Accession MSBNK-AGILENT-AG000012 contains the MS2 mass spectrum of Diazinon (Dimpylate) with the InChIkey FHIVAFMUCKRCQO-UHFFFAOYSA-N.

Chemical Information

molecular Image
InChI InChI=1S/C12H21N2O3PS/c1-6-15-18(19,16-7-2)17-11-8-10(5)13-12(14-11)9(3)4/h8-9H,6-7H2,1-5H3
SMILES CC1=CC(=NC(=N1)C(C)C)OP(=S)(OCC)OCC
InChI Key FHIVAFMUCKRCQO-UHFFFAOYSA-N
Molecular Formula C12H21N2O3PS
Exact Mass 304.101 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-AG000012
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MetadataPublished 2023-02-17
Related Molecule
  • diethoxy-(6-methyl-2-propan-2-ylpyrimidin-4-yl)oxy-sulfanylidene-lambda5-phosphane
    • Field Value
    Measurement Technique liquid chromatography-mass spectrometry
    Measurement Variables
    Data-Source Molecule ID Data-Source
    CHEMBL388560 ChEMBL
    34682 ChEBI
    C14324 KEGG Ligand
    DIAZINON clinicaltrials
    DIMPYLATE clinicaltrials
    HY-B1113 MedChemExpress
    50005409 BindingDB
    ZINC000000001309 ZINC
    J3.278F Nikkaji
    DTXSID9020407 EPA CompTox Dashboard
    20207919 NMRShiftDB
    SCHEMBL17453 SureChEMBL
    CB7702086 ChemicalBook
    HMDB0032943 Human Metabolome Database
    26753541 eMolecules
    509708 eMolecules
    3017 PubChem
    PD001939 ProbesDrugs
    YUS1M1Q929 FDA SRS
    15419751 PubChem: Thomson Pharma
    27936-40-9 ACToR
    333-41-5 ACToR
    Diazinon Atlas
    The data in this table is sourced from UniChem at EBI.