Dataset

Thiometon

This MassBank record with Accession MSBNK-Eawag-EQ01140707 contains the MS2 mass spectrum of Thiometon with the InChIkey OPASCBHCTNRLRM-UHFFFAOYSA-N.

Chemical Info

molecular Image
InChI InChI=1S/C6H15O2PS3/c1-4-11-5-6-12-9(10,7-2)8-3/h4-6H2,1-3H3
SMILES CCSCCSP(=S)(OC)OC
InChI Key OPASCBHCTNRLRM-UHFFFAOYSA-N
Molecular Formula C6H15O2PS3
Exact Mass 245.997 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-EQ01140707
Version
Author
Maintainer
Language
MetadataCreated 2024-01-11T13:24:09.518220
MetadataModified 2025-02-09T09:55:47.843939
MetadataPublished 2023-04-27
Field Value
Measurement Technique liquid chromatography-mass spectrometry
Measurement Variables
Data-Source Molecule ID Data-Source
12541 PubChem
16436946 PubChem: Thomson Pharma
YDI0MXQ7IR FDA SRS
640-15-3 ACToR
6214735 eMolecules
SCHEMBL73162 SureChEMBL
HMDB0259016 Human Metabolome Database
J4.414H Nikkaji
ZINC000002031565 ZINC
DTXSID9042469 EPA CompTox Dashboard
38962 ChEBI
C18665 KEGG Ligand
The data in this table is sourced from UniChem at EBI.