Dataset

Pyraclofos; LC-ESI-QFT; MS2; CE: 15%; R=17500; [M+H]+

This MassBank record with Accession MSBNK-Eawag-EQ01130101 contains the MS2 mass spectrum of Pyraclofos with the InChIkey QHGVXILFMXYDRS-UHFFFAOYSA-N.

Chemical Information

molecular Image
InChI InChI=1S/C14H18ClN2O3PS/c1-3-9-22-21(18,19-4-2)20-14-10-16-17(11-14)13-7-5-12(15)6-8-13/h5-8,10-11H,3-4,9H2,1-2H3
SMILES CCCSP(=O)(OCC)OC1=CN(N=C1)C2=CC=C(C=C2)Cl
InChI Key QHGVXILFMXYDRS-UHFFFAOYSA-N
Molecular Formula C14H18ClN2O3PS
Exact Mass 360.046 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-EQ01130101
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MetadataPublished 2023-04-27
Related Molecule
  • 1-(4-chlorophenyl)-4-[ethoxy(propylsulfanyl)phosphoryl]oxypyrazole
    • Field Value
    Measurement Technique liquid chromatography-mass spectrometry
    Measurement Variables
    Data-Source Molecule ID Data-Source
    CHEBI:38876 chebi
    119518 surechembl
    93460 pubchem
    M0W5LEC929 fdasrs
    HMDB0256939 hmdb
    Molport-005-940-315 molport
    The data in this table is sourced from UniChem at EBI.