Dataset

Vildagliptin; LC-ESI-QFT; MS2; CE: 45; R=35000; [M+H]+

This MassBank record with Accession MSBNK-Eawag-EQ314603 contains the MS2 mass spectrum of Vildagliptin with the InChIkey SYOKIDBDQMKNDQ-XWTIBIIYSA-N.

Chemical Information

molecular Image
InChI InChI=1S/C17H25N3O2/c18-9-14-2-1-3-20(14)15(21)10-19-16-5-12-4-13(6-16)8-17(22,7-12)11-16/h12-14,19,22H,1-8,10-11H2/t12?,13?,14-,16?,17?/m0/s1
SMILES N#C[C@H]4N(C(=O)CNC13CC2CC(C1)CC(O)(C2)C3)CCC4
InChI Key SYOKIDBDQMKNDQ-XWTIBIIYSA-N
Molecular Formula C17H25N3O2
Exact Mass 303.195 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-EQ314603
Version
Author
Maintainer
Language
MetadataPublished 2015-08-25
Related Molecule
  • (2S)-1-[2-[(3-hydroxy-1-adamantyl)amino]acetyl]pyrrolidine-2-carbonitrile
    • Field Value
    Measurement Technique liquid chromatography-mass spectrometry
    Measurement Variables
    Data-Source Molecule ID Data-Source
    No additional information available for this Dataset.