Dataset

Cadusafos

This MassBank record with Accession MSBNK-Eawag-EQ01121206 contains the MS2 mass spectrum of Cadusafos with the InChIkey KXRPCFINVWWFHQ-UHFFFAOYSA-N.

Chemical Info

molecular Image
InChI InChI=1S/C10H23O2PS2/c1-6-9(4)14-13(11,12-8-3)15-10(5)7-2/h9-10H,6-8H2,1-5H3
SMILES CCC(C)SP(=O)(OCC)SC(C)CC
InChI Key KXRPCFINVWWFHQ-UHFFFAOYSA-N
Molecular Formula C10H23O2PS2
Exact Mass 270.088 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-EQ01121206
Version
Author
Maintainer
Language
MetadataCreated 2024-01-11T13:24:08.610920
MetadataModified 2025-02-09T09:56:22.375662
MetadataPublished 2023-04-27
Field Value
Measurement Technique liquid chromatography-mass spectrometry
Measurement Variables
Data-Source Molecule ID Data-Source
38588 ChEBI
C18395 KEGG Ligand
J607.609B Nikkaji
HMDB0249530 Human Metabolome Database
233796 Brenda
8JBJ4VO75K FDA SRS
CB3728824 ChemicalBook
DTXSID7037505 EPA CompTox Dashboard
CHEMBL2228571 ChEMBL
SCHEMBL63059 SureChEMBL
16733519 PubChem: Thomson Pharma
91752 PubChem
103735-82-6 ACToR
95465-99-9 ACToR
28294698 eMolecules
The data in this table is sourced from UniChem at EBI.