Dataset

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

This MassBank record with Accession MSBNK-Eawag-EQ01122804 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-EQ01122804
Version
Author
Maintainer
Language
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
    31216697 eMolecules
    25146 PubChem
    16808561 PubChem: Thomson Pharma
    10311-84-9 ACToR
    HMDB0251126 Human Metabolome Database
    J3.118F Nikkaji
    8480K0VB4E FDA SRS
    82158 ChEBI
    DTXSID0037522 EPA CompTox Dashboard
    SCHEMBL122099 SureChEMBL
    C19028 KEGG Ligand
    CHEMBL1901826 ChEMBL
    The data in this table is sourced from UniChem at EBI.