Dataset

Metolachlor CGA 357704; LC-ESI-QTOF; MS2; CE: 10 eV; R=35000; [M+H]+

This MassBank record with Accession MSBNK-Athens_Univ-AU264601 contains the MS2 mass spectrum of Metolachlor CGA 357704 with the InChIkey IMFSUYMDPTXKCC-UHFFFAOYSA-N.

Chemical Information

molecular Image
InChI InChI=1S/C14H17NO5/c1-4-10-7-5-6-8(2)11(10)15(9(3)13(17)18)12(16)14(19)20/h5-7,9H,4H2,1-3H3,(H,17,18)(H,19,20)
SMILES CCC1=CC=CC(C)=C1N(C(C)C(O)=O)C(=O)C(O)=O
InChI Key IMFSUYMDPTXKCC-UHFFFAOYSA-N
Molecular Formula C14H17NO5
Exact Mass 279.111 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-AU264601
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MetadataPublished 2019-05-30
Related Molecule
  • 2-(2-ethyl-6-methyl-N-oxaloanilino)propanoic acid
    • Field Value
    Measurement Technique liquid chromatography-mass spectrometry
    Measurement Variables
    Data-Source Molecule ID Data-Source
    139035264 PubChem
    182739 ChEBI
    The data in this table is sourced from UniChem at EBI.