Dataset

Quinalphos; LC-ESI-QFT; MS2; CE: 60%; R=17500; [M+H]+

This MassBank record with Accession MSBNK-Eawag-EQ01139604 contains the MS2 mass spectrum of Quinalphos with the InChIkey JYQUHIFYBATCCY-UHFFFAOYSA-N.

Chemical Information

molecular Image
InChI InChI=1S/C12H15N2O3PS/c1-3-15-18(19,16-4-2)17-12-9-13-10-7-5-6-8-11(10)14-12/h5-9H,3-4H2,1-2H3
SMILES CCOP(=S)(OCC)OC1=NC2=CC=CC=C2N=C1
InChI Key JYQUHIFYBATCCY-UHFFFAOYSA-N
Molecular Formula C12H15N2O3PS
Exact Mass 298.054 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-EQ01139604
Version
Author
Maintainer
Language
MetadataPublished 2023-04-27
Related Molecule
  • diethoxy-quinoxalin-2-yloxy-sulfanylidene-lambda5-phosphane
    • Field Value
    Measurement Technique liquid chromatography-mass spectrometry
    Measurement Variables
    Data-Source Molecule ID Data-Source
    CHEBI:8712 chebi
    WYN rcsb_pdb
    CHEMBL1893890 chembl
    18079 surechembl
    29454938 surechembl
    26124 pubchem
    26S837727Y fdasrs
    WYN - Ideal conformer pdbe
    HMDB0257033 hmdb
    Molport-003-933-488 molport
    The data in this table is sourced from UniChem at EBI.