Dataset

Dimethenamid-ESA; LC-ESI-QTOF; MS2; CE: Ramp 22.0-33.1 eV; R=35000; [M+H]+

This MassBank record with Accession MSBNK-Athens_Univ-AU204106 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)C1=C(C)SC=C1C
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/4.0
Source https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-Athens_Univ-AU204106
Version
Author
Maintainer
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MetadataPublished 2019-05-29
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
    CHEBI:83461 chebi
    6426850 pubchem
    The data in this table is sourced from UniChem at EBI.