Dataset

Ethyl azinphos; LC-ESI-QTOF; MS2; CE: 30 eV; R=35000; [M+H]+

This MassBank record with Accession MSBNK-Athens_Univ-AU260803 contains the MS2 mass spectrum of Ethyl azinphos with the InChIkey RQVGAIADHNPSME-UHFFFAOYSA-N.

Chemical Information

molecular Image
InChI InChI=1S/C12H16N3O3PS2/c1-3-17-19(20,18-4-2)21-9-15-12(16)10-7-5-6-8-11(10)13-14-15/h5-8H,3-4,9H2,1-2H3
SMILES CCOP(=S)(OCC)SCN1N=NC2=CC=CC=C2C1=O
InChI Key RQVGAIADHNPSME-UHFFFAOYSA-N
Molecular Formula C12H16N3O3PS2
Exact Mass 345.037 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-AU260803
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MetadataPublished 2019-05-30
Related Molecule
  • 3-(diethoxyphosphinothioylsulfanylmethyl)-1,2,3-benzotriazin-4-one
    • Field Value
    Measurement Technique liquid chromatography-mass spectrometry
    Measurement Variables
    Data-Source Molecule ID Data-Source
    17420629 PubChem: Thomson Pharma
    2642-71-9 ACToR
    SCHEMBL62908 SureChEMBL
    31216800 eMolecules
    17531 PubChem
    CHEMBL1886341 ChEMBL
    38587 ChEBI
    C18644 KEGG Ligand
    J7.641D Nikkaji
    WINYAT CCDC
    HMDB0248806 Human Metabolome Database
    ZINC000002035978 ZINC
    DTXSID5037498 EPA CompTox Dashboard
    EA96NYT5J5 FDA SRS
    The data in this table is sourced from UniChem at EBI.