Dataset

Ethion

This MassBank record with Accession MSBNK-Eawag-EQ01136001 contains the MS2 mass spectrum of Ethion with the InChIkey RIZMRRKBZQXFOY-UHFFFAOYSA-N.

Chemical Info

molecular Image
InChI InChI=1S/C9H22O4P2S4/c1-5-10-14(16,11-6-2)18-9-19-15(17,12-7-3)13-8-4/h5-9H2,1-4H3
SMILES CCOP(=S)(OCC)SCSP(=S)(OCC)OCC
InChI Key RIZMRRKBZQXFOY-UHFFFAOYSA-N
Molecular Formula C9H22O4P2S4
Exact Mass 383.988 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-EQ01136001
Version
Author
Maintainer
Language
MetadataCreated 2024-01-11T13:21:51.479081
MetadataModified 2025-02-09T09:55:11.990009
MetadataPublished 2023-04-27
Field Value
Measurement Technique liquid chromatography-mass spectrometry
Measurement Variables
Data-Source Molecule ID Data-Source
HMDB0252018 Human Metabolome Database
J3.297B Nikkaji
DTXSID2024086 EPA CompTox Dashboard
ZINC000002034740 ZINC
C18725 KEGG Ligand
38663 ChEBI
CHEMBL1713417 ChEMBL
PD119052 ProbesDrugs
2TI07NO12Y FDA SRS
563-12-2 ACToR
15400753 PubChem: Thomson Pharma
509812 eMolecules
3286 PubChem
20208975 NMRShiftDB
SCHEMBL26750 SureChEMBL
The data in this table is sourced from UniChem at EBI.