Dataset

Dimethenamid-ESA; LC-ESI-QTOF; MS2; CE: 20 eV; R=35000; [M+H]+

This MassBank record with Accession MSBNK-Athens_Univ-AU204102 contains the MS2 mass spectrum of Dimethenamid-ESA with the InChIkey YMYKMSAZEZQEER-UHFFFAOYSA-N.

Chemical Information

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-AU204102
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MetadataPublished 2015-12-02
Related Molecule
  • 2-[(2,4-dimethylthiophen-3-yl)-(1-methoxypropan-2-yl)amino]-2-oxoethanesulfonic acid
    • 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.