Dataset

Pyridaphenthion; LC-ESI-QFT; MS2; CE: 30%; R=17500; [M+H]+

This MassBank record with Accession MSBNK-Eawag-EQ01130502 contains the MS2 mass spectrum of Pyridaphenthion with the InChIkey CXJSOEPQXUCJSA-UHFFFAOYSA-N.

Chemical Information

molecular Image
InChI InChI=1S/C14H17N2O4PS/c1-3-18-21(22,19-4-2)20-13-10-11-14(17)16(15-13)12-8-6-5-7-9-12/h5-11H,3-4H2,1-2H3
SMILES CCOP(=S)(OCC)OC1=NN(C(=O)C=C1)C2=CC=CC=C2
InChI Key CXJSOEPQXUCJSA-UHFFFAOYSA-N
Molecular Formula C14H17N2O4PS
Exact Mass 340.065 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-EQ01130502
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MetadataPublished 2023-04-27
Related Molecule
  • 6-diethoxyphosphinothioyloxy-2-phenylpyridazin-3-one
    • Field Value
    Measurement Technique liquid chromatography-mass spectrometry
    Measurement Variables
    Data-Source Molecule ID Data-Source
    38881 ChEBI
    C18762 KEGG Ligand
    J2.478C Nikkaji
    ZINC000000002006 ZINC
    DTXSID2042355 EPA CompTox Dashboard
    CB2292780 ChemicalBook
    98M0VDD56Z FDA SRS
    SCHEMBL82258 SureChEMBL
    8381 PubChem
    14753665 PubChem: Thomson Pharma
    119-12-0 ACToR
    6190803 eMolecules
    The data in this table is sourced from UniChem at EBI.