Dataset

Amidithion

This MassBank record with Accession MSBNK-Eawag-EQ01120113 contains the MS2 mass spectrum of Amidithion with the InChIkey GDTZUQIYUMGJRT-UHFFFAOYSA-N.

Chemical Info

molecular Image
InChI InChI=1S/C7H16NO4PS2/c1-10-5-4-8-7(9)6-15-13(14,11-2)12-3/h4-6H2,1-3H3,(H,8,9)
SMILES COCCNC(=O)CSP(=S)(OC)OC
InChI Key GDTZUQIYUMGJRT-UHFFFAOYSA-N
Molecular Formula C7H16NO4PS2
Exact Mass 273.026 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-EQ01120113
Version
Author
Maintainer
Language
MetadataCreated 2024-01-11T13:45:45.123755
MetadataModified 2025-02-09T09:46:36.299891
MetadataPublished 2023-04-27
Field Value
Measurement Technique liquid chromatography-mass spectrometry
Measurement Variables
Data-Source Molecule ID Data-Source
C18963 KEGG Ligand
CB9700172 ChemicalBook
J8.648G Nikkaji
AMIDTH CCDC
82102 ChEBI
ZINC000002040193 ZINC
DTXSID2041595 EPA CompTox Dashboard
SCHEMBL118807 SureChEMBL
13525 PubChem
7228-55-9 ACToR
919-76-6 ACToR
3329OQJ0YC FDA SRS
The data in this table is sourced from UniChem at EBI.