Dataset

Chlormephos

This MassBank record with Accession MSBNK-Eawag-EQ01133702 contains the MS2 mass spectrum of Chlormephos with the InChIkey QGTYWWGEWOBMAK-UHFFFAOYSA-N.

Chemical Info

molecular Image
InChI InChI=1S/C5H12ClO2PS2/c1-3-7-9(10,8-4-2)11-5-6/h3-5H2,1-2H3
SMILES CCOP(=S)(OCC)SCCl
InChI Key QGTYWWGEWOBMAK-UHFFFAOYSA-N
Molecular Formula C5H12ClO2PS2
Exact Mass 233.970 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-EQ01133702
Version
Author
Maintainer
Language
MetadataCreated 2024-01-11T14:41:33.992164
MetadataModified 2025-02-09T09:59:50.637146
MetadataPublished 2023-04-27
Related Molecule
Field Value
Measurement Technique liquid chromatography-mass spectrometry
Measurement Variables
Data-Source Molecule ID Data-Source
38603 ChEBI
CHEMBL1882960 ChEMBL
C18686 KEGG Ligand
J53.800K Nikkaji
ZINC000002014295 ZINC
DTXSID1037511 EPA CompTox Dashboard
509648 eMolecules
32739 PubChem
24934-91-6 ACToR
57583267 PubChem: Thomson Pharma
1N10F47JUS FDA SRS
SCHEMBL15332 SureChEMBL
The data in this table is sourced from UniChem at EBI.