Dataset

Pregabalin; LC-ESI-QFT; MS2; CE: 15; R=35000; [M+H]+

This MassBank record with Accession MSBNK-Eawag-EQ312901 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

Field Value
DOI
License URL https://creativecommons.org/licenses/by/4.0
Source https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-Eawag-EQ312901
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MetadataPublished 2015-08-25
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.