Dataset

Pregabalin; LC-ESI-QTOF; MS2; 40 V

This MassBank record with Accession MSBNK-BAFG-CSL2311093594 contains the MS2 mass spectrum of Pregabalin with the InChIkey AYXYPKUFHZROOJ-ZETCQYMHSA-N.

Chemical Information

molecular Image
InChI InChI=1S/C8H17NO2/c1-6(2)3-7(5-9)4-8(10)11/h6-7H,3-5,9H2,1-2H3,(H,10,11)/t7-/m0/s1
SMILES CC(C)C[C@H](CN)CC(O)=O
InChI Key AYXYPKUFHZROOJ-ZETCQYMHSA-N
Molecular Formula C8H17NO2
Exact Mass 159.126 g/mol

Data and Resources

Metadata Information

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DOI
License URL
Source https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-BAFG-CSL2311093594
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MetadataPublished 2023-11-09
Related Molecule
  • (3S)-3-(aminomethyl)-5-methylhexanoic acid
    • Field Value
    Measurement Technique liquid chromatography-mass spectrometry
    Measurement Variables
    Data-Source Molecule ID Data-Source
    No additional information available for this Dataset.