Dataset

Sitagliptin

This MassBank record with Accession MSBNK-Eawag-EA290310 contains the MS2 mass spectrum of Sitagliptin with the InChIkey MFFMDFFZMYYVKS-SECBINFHSA-N.

Chemical Info

molecular Image
InChI InChI=1S/C16H15F6N5O/c17-10-6-12(19)11(18)4-8(10)3-9(23)5-14(28)26-1-2-27-13(7-26)24-25-15(27)16(20,21)22/h4,6,9H,1-3,5,7,23H2/t9-/m1/s1
SMILES Fc1cc(c(F)cc1F)C[C@@H](N)CC(=O)N3Cc2nnc(n2CC3)C(F)(F)F
InChI Key MFFMDFFZMYYVKS-SECBINFHSA-N
Molecular Formula C16H15F6N5O
Exact Mass 407.118 g/mol

Data and Resources

Metadata Information

Field Value
DOI
License URL
Source https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-Eawag-EA290310
Version
Author
Maintainer
Language
MetadataCreated 2024-01-11T14:39:08.551575
MetadataModified 2024-01-11T14:39:08.718256
MetadataPublished 2014-01-14
Field Value
Measurement Technique liquid chromatography-mass spectrometry
Measurement Variables