Dataset

Metolachlor CGA 368208; LC-ESI-QTOF; MS2; CE: 20 eV; R=35000; [M+H]+

This MassBank record with Accession MSBNK-Athens_Univ-AU234002 contains the MS2 mass spectrum of Metolachlor CGA 368208 with the InChIkey QPVPJECIHVSBLZ-UHFFFAOYSA-N.

Chemical Information

molecular Image
InChI InChI=1S/C11H15NO4S/c1-3-9-6-4-5-8(2)11(9)12-10(13)7-17(14,15)16/h4-6H,3,7H2,1-2H3,(H,12,13)(H,14,15,16)
SMILES CCC1=CC=CC(C)=C1NC(=O)CS(O)(=O)=O
InChI Key QPVPJECIHVSBLZ-UHFFFAOYSA-N
Molecular Formula C11H15NO4S
Exact Mass 257.072 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-AU234002
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MetadataPublished 2019-05-30
Related Molecule
  • 2-(2-ethyl-6-methylanilino)-2-oxoethanesulfonic acid
    • Field Value
    Measurement Technique liquid chromatography-mass spectrometry
    Measurement Variables
    Data-Source Molecule ID Data-Source
    71312480 PubChem
    ZINC000044018888 ZINC
    The data in this table is sourced from UniChem at EBI.