Dataset

Metolachlor-TP NOA413173; LC-ESI-QFT; MS2; CE: 180%; R=17500; [M-H]-

This MassBank record with Accession MSBNK-Eawag-EQ417959 contains the MS2 mass spectrum of Metolachlor-TP NOA413173 with the InChIkey WOXWIWNBIJDJHI-UHFFFAOYSA-N.

Chemical Information

molecular Image
InChI InChI=1S/C14H19NO6S/c1-4-11-7-5-6-9(2)13(11)15(10(3)14(17)18)12(16)8-22(19,20)21/h5-7,10H,4,8H2,1-3H3,(H,17,18)(H,19,20,21)
SMILES CCC1=C(N(C(C)C(O)=O)C(=O)CS(O)(=O)=O)C(C)=CC=C1
InChI Key WOXWIWNBIJDJHI-UHFFFAOYSA-N
Molecular Formula C14H19NO6S
Exact Mass 329.093 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-Eawag-EQ417959
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Maintainer
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MetadataPublished 2019-12-03
Related Molecule
  • 2-(2-ethyl-6-methyl-N-(2-sulfoacetyl)anilino)propanoic acid
    • Field Value
    Measurement Technique liquid chromatography-mass spectrometry
    Measurement Variables
    Data-Source Molecule ID Data-Source
    No additional information available for this Dataset.