Dataset

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

This MassBank record with Accession MSBNK-Athens_Univ-AU204352 contains the MS2 mass spectrum of Dimethachlor-ESA with the InChIkey RVSCDWJKJDBFRS-UHFFFAOYSA-N.

Chemical Information

molecular Image
InChI InChI=1S/C13H19NO5S/c1-10-5-4-6-11(2)13(10)14(7-8-19-3)12(15)9-20(16,17)18/h4-6H,7-9H2,1-3H3,(H,16,17,18)
SMILES COCCN(C(=O)CS(O)(=O)=O)c1c(C)cccc1C
InChI Key RVSCDWJKJDBFRS-UHFFFAOYSA-N
Molecular Formula C13H19NO5S
Exact Mass 301.098 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-AU204352
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MetadataPublished 2016-02-27
Related Molecule
  • 2-[N-(2-methoxyethyl)-2,6-dimethylanilino]-2-oxoethanesulfonic acid
    • Field Value
    Measurement Technique liquid chromatography-mass spectrometry
    Measurement Variables
    Data-Source Molecule ID Data-Source
    CHEBI:83484 chebi
    86290104 pubchem
    The data in this table is sourced from UniChem at EBI.