Dataset

Ditalimfos; LC-ESI-QFT; MS2; CE: 120%; R=17500; [M+H]+

This MassBank record with Accession MSBNK-Eawag-EQ01135707 contains the MS2 mass spectrum of Ditalimfos with the InChIkey MTBZIGHNGSTDJV-UHFFFAOYSA-N.

Chemical Information

molecular Image
InChI InChI=1S/C12H14NO4PS/c1-3-16-18(19,17-4-2)13-11(14)9-7-5-6-8-10(9)12(13)15/h5-8H,3-4H2,1-2H3
SMILES CCOP(=S)(N1C(=O)C2=CC=CC=C2C1=O)OCC
InChI Key MTBZIGHNGSTDJV-UHFFFAOYSA-N
Molecular Formula C12H14NO4PS
Exact Mass 299.038 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-EQ01135707
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Maintainer
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MetadataPublished 2023-04-27
Related Molecule
  • 2-diethoxyphosphinothioylisoindole-1,3-dione
    • Field Value
    Measurement Technique liquid chromatography-mass spectrometry
    Measurement Variables
    Data-Source Molecule ID Data-Source
    CHEBI:82067 chebi
    22128 surechembl
    29396964 surechembl
    21207 pubchem
    80DYL6I8WW fdasrs
    DATGAH CCDC
    Molport-003-933-380 molport
    The data in this table is sourced from UniChem at EBI.