Dataset

Disulfoton

This MassBank record with Accession MSBNK-Eawag-EQ01135601 contains the MS2 mass spectrum of Disulfoton with the InChIkey DOFZAZXDOSGAJZ-UHFFFAOYSA-N.

Chemical Info

molecular Image
InChI InChI=1S/C8H19O2PS3/c1-4-9-11(12,10-5-2)14-8-7-13-6-3/h4-8H2,1-3H3
SMILES CCOP(=S)(OCC)SCCSCC
InChI Key DOFZAZXDOSGAJZ-UHFFFAOYSA-N
Molecular Formula C8H19O2PS3
Exact Mass 274.029 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-EQ01135601
Version
Author
Maintainer
Language
MetadataCreated 2024-01-11T14:03:51.003838
MetadataModified 2025-02-09T10:07:39.934874
MetadataPublished 2023-04-27
Related Molecule
Field Value
Measurement Technique liquid chromatography-mass spectrometry
Measurement Variables
Data-Source Molecule ID Data-Source
11915 Brenda
SCHEMBL27180 SureChEMBL
20207872 NMRShiftDB
508489 eMolecules
3CY5EKL6MT FDA SRS
14947765 PubChem: Thomson Pharma
298-04-4 ACToR
3118 PubChem
HMDB0251486 Human Metabolome Database
J2.982C Nikkaji
ZINC000002040888 ZINC
DTXSID0022018 EPA CompTox Dashboard
C18400 KEGG Ligand
38661 ChEBI
CHEMBL1332314 ChEMBL
The data in this table is sourced from UniChem at EBI.