Dataset

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

This MassBank record with Accession MSBNK-LCSB-LU062304 contains the MS2 mass spectrum of Pirimiphos-ethyl with the InChIkey TZBPRYIIJAJUOY-UHFFFAOYSA-N.

Chemical Information

molecular Image
InChI InChI=1S/C13H24N3O3PS/c1-6-16(7-2)13-14-11(5)10-12(15-13)19-20(21,17-8-3)18-9-4/h10H,6-9H2,1-5H3
SMILES CCOP(=S)(OCC)OC1=CC(C)=NC(=N1)N(CC)CC
InChI Key TZBPRYIIJAJUOY-UHFFFAOYSA-N
Molecular Formula C13H24N3O3PS
Exact Mass 333.128 g/mol

Data and Resources

Metadata Information

Field Value
DOI
License URL https://creativecommons.org/licenses/by/4.0
Source https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-LCSB-LU062304
Version
Author
Maintainer
Language
MetadataPublished 2020-08-19
Related Molecule
  • 4-diethoxyphosphinothioyloxy-N,N-diethyl-6-methylpyrimidin-2-amine
    • Field Value
    Measurement Technique liquid chromatography-mass spectrometry
    Measurement Variables
    Data-Source Molecule ID Data-Source
    CHEBI:82146 chebi
    CHEMBL1315977 chembl
    29413995 surechembl
    74180 surechembl
    31957 pubchem
    3L26N84757 fdasrs
    PD202107 probes_and_drugs
    206579 brenda
    DTXSID5042297 comptox
    Molport-003-933-467 molport
    The data in this table is sourced from UniChem at EBI.