Dataset

Dimethenamid-ESA

This MassBank record with Accession MSBNK-Athens_Univ-AU204101 contains the MS2 mass spectrum of Dimethenamid-ESA with the InChIkey YMYKMSAZEZQEER-UHFFFAOYSA-N.

Chemical Info

molecular Image
InChI InChI=1S/C12H19NO5S2/c1-8-6-19-10(3)12(8)13(9(2)5-18-4)11(14)7-20(15,16)17/h6,9H,5,7H2,1-4H3,(H,15,16,17)
SMILES COCC(C)N(C(=O)CS(O)(=O)=O)c1c(C)csc1C
InChI Key YMYKMSAZEZQEER-UHFFFAOYSA-N
Molecular Formula C12H19NO5S2
Exact Mass 321.070 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-Athens_Univ-AU204101
Version
Author
Maintainer
Language
MetadataCreated 2024-01-11T10:05:54.255034
MetadataModified 2025-02-08T19:13:18.375753
MetadataPublished 2015-12-02
Field Value
Measurement Technique liquid chromatography-mass spectrometry
Measurement Variables
Data-Source Molecule ID Data-Source
MTBLC83461 Metabolights
DTXSID50891445 EPA CompTox Dashboard
83461 ChEBI
J973.643C Nikkaji
6426850 PubChem
The data in this table is sourced from UniChem at EBI.