Dataset

Dimethachlor CGA369873; LC-ESI-QTOF; MS2; CE: 30 eV; R=35000; [M+H]+

This MassBank record with Accession MSBNK-Athens_Univ-AU255903 contains the MS2 mass spectrum of Dimethachlor CGA369873 with the InChIkey ZNKNVJGSYJFDHT-UHFFFAOYSA-N.

Chemical Information

molecular Image
InChI InChI=1S/C10H13NO4S/c1-7-4-3-5-8(2)10(7)11-9(12)6-16(13,14)15/h3-5H,6H2,1-2H3,(H,11,12)(H,13,14,15)
SMILES CC1=CC=CC(C)=C1NC(=O)CS(O)(=O)=O
InChI Key ZNKNVJGSYJFDHT-UHFFFAOYSA-N
Molecular Formula C10H13NO4S
Exact Mass 243.057 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-AU255903
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MetadataPublished 2019-05-29
Related Molecule
  • 2-(2,6-dimethylanilino)-2-oxoethanesulfonic acid
    • Field Value
    Measurement Technique liquid chromatography-mass spectrometry
    Measurement Variables
    Data-Source Molecule ID Data-Source
    139292176 PubChem
    The data in this table is sourced from UniChem at EBI.