Dataset

Sitagliptin

This MassBank record with Accession MSBNK-UFZ-UA008401 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 c1c(c(cc(c1F)F)F)C[C@H](CC(=O)N2CCn3c(nnc3C(F)(F)F)C2)N
InChI Key MFFMDFFZMYYVKS-SECBINFHSA-N
Molecular Formula C16H15F6N5O
Exact Mass 407.118 g/mol

Data and Resources

Metadata Information

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DOI
License URL https://creativecommons.org/licenses/by/4.0
Source https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-UFZ-UA008401
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MetadataCreated 2024-01-11T21:53:30.733331
MetadataModified 2025-02-09T19:50:20.532756
MetadataPublished 2017-08-17
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