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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Maintainer
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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
    CHEBI:38587 chebi
    CHEMBL1886341 chembl
    29827673 surechembl
    62908 surechembl
    17531 pubchem
    EA96NYT5J5 fdasrs
    WINYAT CCDC
    HMDB0248806 hmdb
    The data in this table is sourced from UniChem at EBI.