Dataset

Dichlofenthion

This MassBank record with Accession MSBNK-Eawag-EQ01134406 contains the MS2 mass spectrum of Dichlofenthion with the InChIkey WGOWCPGHOCIHBW-UHFFFAOYSA-N.

Chemical Info

molecular Image
InChI InChI=1S/C10H13Cl2O3PS/c1-3-13-16(17,14-4-2)15-10-6-5-8(11)7-9(10)12/h5-7H,3-4H2,1-2H3
SMILES CCOP(=S)(OCC)OC1=C(C=C(C=C1)Cl)Cl
InChI Key WGOWCPGHOCIHBW-UHFFFAOYSA-N
Molecular Formula C10H13Cl2O3PS
Exact Mass 313.970 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-EQ01134406
Version
Author
Maintainer
Language
MetadataCreated 2024-01-11T14:18:20.618403
MetadataModified 2025-02-09T10:10:39.578869
MetadataPublished 2023-04-27
Related Molecule
Field Value
Measurement Technique liquid chromatography-mass spectrometry
Measurement Variables
Data-Source Molecule ID Data-Source
509718 eMolecules
7328 PubChem
64234GT8TT FDA SRS
15420452 PubChem: Thomson Pharma
97-17-6 ACToR
SCHEMBL117873 SureChEMBL
11137-49-8 ACToR
CHEMBL1396626 ChEMBL
C18398 KEGG Ligand
81730 ChEBI
DTXSID8040274 EPA CompTox Dashboard
J3.976D Nikkaji
CB9285934 ChemicalBook
ZINC000000001277 ZINC
The data in this table is sourced from UniChem at EBI.