Dataset

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

This MassBank record with Accession MSBNK-Athens_Univ-AU205903 contains the MS2 mass spectrum of Metolachlor-Morpholinone with the InChIkey DVBDYPDVNRJKNJ-UHFFFAOYSA-N.

Chemical Information

molecular Image
InChI InChI=1S/C14H19NO2/c1-4-12-7-5-6-10(2)14(12)15-11(3)8-17-9-13(15)16/h5-7,11H,4,8-9H2,1-3H3
SMILES CCC1=CC=CC(C)=C1N1C(C)COCC1=O
InChI Key DVBDYPDVNRJKNJ-UHFFFAOYSA-N
Molecular Formula C14H19NO2
Exact Mass 233.142 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-Athens_Univ-AU205903
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MetadataPublished 2015-12-04
Related Molecule
  • 4-(2-ethyl-6-methylphenyl)-5-methylmorpholin-3-one
    • Field Value
    Measurement Technique liquid chromatography-mass spectrometry
    Measurement Variables
    Data-Source Molecule ID Data-Source
    179957 PubChem
    MTBLC83509 Metabolights
    DTXSID30891443 EPA CompTox Dashboard
    83509 ChEBI
    J883.461J Nikkaji
    120375-14-6 ACToR
    The data in this table is sourced from UniChem at EBI.