Dataset

Isazofos; LC-ESI-QFT; MS2; CE: 150%; R=17500; [M+H]+

This MassBank record with Accession MSBNK-Eawag-EQ01127508 contains the MS2 mass spectrum of Isazofos with the InChIkey XRHGWAGWAHHFLF-UHFFFAOYSA-N.

Chemical Information

molecular Image
InChI InChI=1S/C9H17ClN3O3PS/c1-5-14-17(18,15-6-2)16-9-11-8(10)13(12-9)7(3)4/h7H,5-6H2,1-4H3
SMILES CCOP(=S)(OCC)OC1=NN(C(=N1)Cl)C(C)C
InChI Key XRHGWAGWAHHFLF-UHFFFAOYSA-N
Molecular Formula C9H17ClN3O3PS
Exact Mass 313.042 g/mol

Data and Resources

Metadata Information

Field Value
DOI
License URL https://creativecommons.org/licenses/by-sa/4.0
Source https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-Eawag-EQ01127508
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MetadataPublished 2023-04-27
Related Molecule
  • (5-chloro-1-propan-2-yl-1,2,4-triazol-3-yl)oxy-diethoxy-sulfanylidene-lambda5-phosphane
    • Field Value
    Measurement Technique liquid chromatography-mass spectrometry
    Measurement Variables
    Data-Source Molecule ID Data-Source
    CHEBI:82135 chebi
    CHEMBL1879142 chembl
    121685 surechembl
    39223 pubchem
    CF67CG9STQ fdasrs
    HMDB0253594 hmdb
    Molport-003-930-903 molport
    The data in this table is sourced from UniChem at EBI.