Dataset

(S)-N-methyl-pregabalin; LC-ESI-QTOF; MS2; 40 V

This MassBank record with Accession MSBNK-BAFG-CSL23111012732 contains the MS2 mass spectrum of (S)-N-methyl-pregabalin 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
Source https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-BAFG-CSL23111012732
Version
Author
Maintainer
Language
MetadataPublished 2023-11-10
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.