Dataset

N-Methylpregabalin; LC-ESI-QFT; MS2; CE: 30%; R=17500; [M+H]+

This MassBank record with Accession MSBNK-Eawag-EQ01152002 contains the MS2 mass spectrum of N-Methylpregabalin with the InChIkey MADUVMLGQASXOK-UHFFFAOYSA-N.

Chemical Information

molecular Image
InChI InChI=1S/C9H19NO2/c1-7(2)4-8(6-10-3)5-9(11)12/h7-8,10H,4-6H2,1-3H3,(H,11,12)
SMILES CC(C)CC(CC(=O)O)CNC
InChI Key MADUVMLGQASXOK-UHFFFAOYSA-N
Molecular Formula C9H19NO2
Exact Mass 173.142 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-Eawag-EQ01152002
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MetadataPublished 2024-05-08
Related Molecule
  • 5-methyl-3-[(methylazaniumyl)methyl]hexanoate
    • Field Value
    Measurement Technique liquid chromatography-mass spectrometry
    Measurement Variables
    Data-Source Molecule ID Data-Source
    8011226 surechembl
    124519416 pubchem
    74603440 pubchem
    The data in this table is sourced from UniChem at EBI.