Dataset

Fensulfothion

This MassBank record with Accession MSBNK-Eawag-EQ01125202 contains the MS2 mass spectrum of Fensulfothion with the InChIkey XDNBJTQLKCIJBV-UHFFFAOYSA-N.

Chemical Info

molecular Image
InChI InChI=1S/C11H17O4PS2/c1-4-13-16(17,14-5-2)15-10-6-8-11(9-7-10)18(3)12/h6-9H,4-5H2,1-3H3
SMILES CCOP(=S)(OCC)OC1=CC=C(C=C1)S(=O)C
InChI Key XDNBJTQLKCIJBV-UHFFFAOYSA-N
Molecular Formula C11H17O4PS2
Exact Mass 308.031 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-EQ01125202
Version
Author
Maintainer
Language
MetadataCreated 2024-01-11T13:39:48.748374
MetadataModified 2025-02-09T09:58:33.426328
MetadataPublished 2023-04-27
Related Molecule
Field Value
Measurement Technique liquid chromatography-mass spectrometry
Measurement Variables
Data-Source Molecule ID Data-Source
8292 PubChem
15023846 PubChem: Thomson Pharma
115-90-2 ACToR
SCHEMBL73185 SureChEMBL
509485 eMolecules
14185 Brenda
20208064 NMRShiftDB
CHEMBL3186021 ChEMBL
J2.899A Nikkaji
VB39B105PO FDA SRS
DTXSID6021953 EPA CompTox Dashboard
C14510 KEGG Ligand
34760 ChEBI
The data in this table is sourced from UniChem at EBI.