Dataset

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

This MassBank record with Accession MSBNK-Eawag-EQ01122801 contains the MS2 mass spectrum of Dialifos with the InChIkey MUMQYXACQUZOFP-UHFFFAOYSA-N.

Chemical Information

molecular Image
InChI InChI=1S/C14H17ClNO4PS2/c1-3-19-21(22,20-4-2)23-12(9-15)16-13(17)10-7-5-6-8-11(10)14(16)18/h5-8,12H,3-4,9H2,1-2H3
SMILES CCOP(=S)(OCC)SC(CCl)N1C(=O)C2=CC=CC=C2C1=O
InChI Key MUMQYXACQUZOFP-UHFFFAOYSA-N
Molecular Formula C14H17ClNO4PS2
Exact Mass 393.002 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-EQ01122801
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Maintainer
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MetadataPublished 2023-04-27
Related Molecule
  • 2-(2-chloro-1-diethoxyphosphinothioylsulfanylethyl)isoindole-1,3-dione
    • Field Value
    Measurement Technique liquid chromatography-mass spectrometry
    Measurement Variables
    Data-Source Molecule ID Data-Source
    CHEBI:82158 chebi
    CHEMBL1901826 chembl
    122099 surechembl
    29424499 surechembl
    25146 pubchem
    8480K0VB4E fdasrs
    HMDB0251126 hmdb
    The data in this table is sourced from UniChem at EBI.