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
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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
    J8.128K Nikkaji
    HMDB0257033 Human Metabolome Database
    DTXSID7024291 EPA CompTox Dashboard
    CB9227349 ChemicalBook
    8712 ChEBI
    CHEMBL1893890 ChEMBL
    C11030 KEGG Ligand
    ZINC000000900717 ZINC
    20208952 NMRShiftDB
    SCHEMBL18079 SureChEMBL
    15023155 PubChem: Thomson Pharma
    26124 PubChem
    26S837727Y FDA SRS
    13593-03-8 ACToR
    WYN PDBe
    510179 eMolecules
    The data in this table is sourced from UniChem at EBI.