Dataset

Chlorthiophos

This MassBank record with Accession MSBNK-Eawag-EQ01133804 contains the MS2 mass spectrum of Chlorthiophos with the InChIkey JAZJVWLGNLCNDD-UHFFFAOYSA-N.

Chemical Info

molecular Image
InChI InChI=1S/C11H15Cl2O3PS2/c1-4-14-17(18,15-5-2)16-10-6-9(13)11(19-3)7-8(10)12/h6-7H,4-5H2,1-3H3
SMILES CCOP(=S)(OCC)OC1=CC(=C(C=C1Cl)SC)Cl
InChI Key JAZJVWLGNLCNDD-UHFFFAOYSA-N
Molecular Formula C11H15Cl2O3PS2
Exact Mass 359.958 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-EQ01133804
Version
Author
Maintainer
Language
MetadataCreated 2024-01-11T14:00:38.458758
MetadataModified 2025-02-09T10:04:59.374325
MetadataPublished 2023-04-27
Related Molecule
Field Value
Measurement Technique liquid chromatography-mass spectrometry
Measurement Variables
Data-Source Molecule ID Data-Source
J14.348K Nikkaji
82109 ChEBI
ZINC000002015797 ZINC
DTXSID9041786 EPA CompTox Dashboard
C18970 KEGG Ligand
30859 PubChem
SCHEMBL5933649 SureChEMBL
1Y631ZW1IN FDA SRS
CHEMBL2074800 ChEMBL
60238-56-4 ACToR
21923-23-9 ACToR
500846 eMolecules
The data in this table is sourced from UniChem at EBI.