Dataset

Formothion

This MassBank record with Accession MSBNK-Eawag-EQ01137103 contains the MS2 mass spectrum of Formothion with the InChIkey AIKKULXCBHRFOS-UHFFFAOYSA-N.

Chemical Info

molecular Image
InChI InChI=1S/C6H12NO4PS2/c1-7(5-8)6(9)4-14-12(13,10-2)11-3/h5H,4H2,1-3H3
SMILES CN(C=O)C(=O)CSP(=S)(OC)OC
InChI Key AIKKULXCBHRFOS-UHFFFAOYSA-N
Molecular Formula C6H12NO4PS2
Exact Mass 256.995 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-EQ01137103
Version
Author
Maintainer
Language
MetadataCreated 2024-01-11T13:09:47.703284
MetadataModified 2025-02-09T10:12:26.652520
MetadataPublished 2023-04-27
Related Molecule
Field Value
Measurement Technique liquid chromatography-mass spectrometry
Measurement Variables
Data-Source Molecule ID Data-Source
J3.031G Nikkaji
ZINC000002036065 ZINC
DTXSID4041991 EPA CompTox Dashboard
82126 ChEBI
HMDB0252447 Human Metabolome Database
CHEMBL449733 ChEMBL
C18988 KEGG Ligand
SCHEMBL116325 SureChEMBL
17345 PubChem
15246909 PubChem: Thomson Pharma
2540-82-1 ACToR
7O9EWV477R FDA SRS
511342 eMolecules
The data in this table is sourced from UniChem at EBI.