Dataset

Vildagliptin; LC-ESI-QTOF; MS2; CE: 40 eV; R=35000; [M+Na]+

This MassBank record with Accession MSBNK-Athens_Univ-AU226633 contains the MS2 mass spectrum of Vildagliptin with the InChIkey SYOKIDBDQMKNDQ-XWTIBIIYSA-N.

Chemical Information

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	C1C[C@H](N(C1)C(=O)CNC23CC4CC(C2)CC(C4)(C3)O)C#N
InChI Key	SYOKIDBDQMKNDQ-XWTIBIIYSA-N
Molecular Formula	C17H25N3O2
Exact Mass	303.195 g/mol

Data and Resources

VildagliptinHTML

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Related Molecule ⌄

(2S)-1-[2-[(3-hydroxy-1-adamantyl)amino]acetyl]pyrrolidine-2-carbonitrile

Metadata Information

Field	Value
DOI
License URL	https://creativecommons.org/licenses/by/4.0
Source	https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-Athens_Univ-AU226633
Version
Author
Maintainer
Language
MetadataPublished	2016-02-28
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
DB04876	drugbank
CHEBI:135285	chebi
CHEMBL142703	chembl
16579	surechembl
6918537	pubchem
I6B4B2U96P	fdasrs
PD009355	probes_and_drugs
151480	brenda
25034	brenda
39902	brenda
58976	brenda
64118	brenda
75289	brenda
HMDB0015596	hmdb
NCT00099853	clinicaltrials
NCT00099866	clinicaltrials
NCT00099892	clinicaltrials
NCT00099905	clinicaltrials
NCT00099918	clinicaltrials
NCT00099931	clinicaltrials
NCT00099944	clinicaltrials
NCT00099957	clinicaltrials
NCT00101673	clinicaltrials
NCT00101712	clinicaltrials
NCT00101803	clinicaltrials
NCT00102388	clinicaltrials
NCT00102466	clinicaltrials
NCT00106340	clinicaltrials
NCT00110240	clinicaltrials
NCT00120536	clinicaltrials
NCT00138515	clinicaltrials
NCT00138541	clinicaltrials
NCT00138554	clinicaltrials
NCT00138567	clinicaltrials
NCT00138580	clinicaltrials
NCT00138593	clinicaltrials
NCT00138606	clinicaltrials
NCT00138619	clinicaltrials
NCT00230464	clinicaltrials
NCT00237237	clinicaltrials
NCT00237250	clinicaltrials
NCT00238498	clinicaltrials
NCT00260156	clinicaltrials
NCT00300287	clinicaltrials
NCT00312130	clinicaltrials
NCT00325117	clinicaltrials
NCT00325429	clinicaltrials
NCT00351507	clinicaltrials
NCT00351546	clinicaltrials
NCT00351585	clinicaltrials
NCT00351832	clinicaltrials
NCT00351884	clinicaltrials
NCT00368134	clinicaltrials
NCT00380380	clinicaltrials
NCT00380445	clinicaltrials
NCT00382096	clinicaltrials
NCT00383578	clinicaltrials
NCT00389415	clinicaltrials
NCT00390520	clinicaltrials
NCT00396071	clinicaltrials
NCT00396227	clinicaltrials
NCT00396357	clinicaltrials
NCT00414947	clinicaltrials
NCT00419887	clinicaltrials
NCT00468039	clinicaltrials
NCT00494884	clinicaltrials
NCT00567047	clinicaltrials
NCT00572650	clinicaltrials
NCT00616811	clinicaltrials
NCT00633997	clinicaltrials
NCT00646542	clinicaltrials
NCT00651105	clinicaltrials
NCT00728351	clinicaltrials
NCT00765830	clinicaltrials
NCT00770081	clinicaltrials
NCT00818571	clinicaltrials
NCT00821977	clinicaltrials
NCT00822211	clinicaltrials
NCT00860288	clinicaltrials
NCT00894868	clinicaltrials
NCT00936234	clinicaltrials
NCT00952991	clinicaltrials
NCT00975065	clinicaltrials
NCT00980356	clinicaltrials
NCT01000688	clinicaltrials
NCT01000688	clinicaltrials
NCT01018602	clinicaltrials
NCT01099137	clinicaltrials
NCT01122641	clinicaltrials
NCT01147276	clinicaltrials
NCT01159249	clinicaltrials
NCT01193296	clinicaltrials
NCT01196546	clinicaltrials
NCT01219400	clinicaltrials
NCT01224366	clinicaltrials
NCT01233622	clinicaltrials
NCT01238978	clinicaltrials
NCT01257451	clinicaltrials
NCT01262586	clinicaltrials
NCT01309698	clinicaltrials
NCT01309698	clinicaltrials
NCT01339143	clinicaltrials
NCT01346254	clinicaltrials
NCT01356381	clinicaltrials
NCT01357252	clinicaltrials
NCT01398592	clinicaltrials
NCT01404676	clinicaltrials
NCT01426737	clinicaltrials
NCT01426802	clinicaltrials
NCT01452113	clinicaltrials
NCT01472432	clinicaltrials
NCT01497522	clinicaltrials
NCT01518101	clinicaltrials
NCT01528254	clinicaltrials
NCT01537120	clinicaltrials
NCT01541956	clinicaltrials
NCT01559025	clinicaltrials
NCT01565096	clinicaltrials
NCT01582230	clinicaltrials
NCT01582243	clinicaltrials
NCT01582308	clinicaltrials
NCT01604213	clinicaltrials
NCT01649466	clinicaltrials
NCT01679899	clinicaltrials
NCT01686932	clinicaltrials
NCT01757587	clinicaltrials
NCT01758380	clinicaltrials
NCT01766778	clinicaltrials
NCT01812122	clinicaltrials
NCT01822548	clinicaltrials
NCT01827280	clinicaltrials
NCT01862263	clinicaltrials
NCT01867502	clinicaltrials
NCT01871558	clinicaltrials
NCT01882907	clinicaltrials
NCT01910441	clinicaltrials
NCT02002221	clinicaltrials
NCT02007278	clinicaltrials
NCT02089438	clinicaltrials
NCT02142309	clinicaltrials
NCT02145611	clinicaltrials
NCT02176681	clinicaltrials
NCT02343926	clinicaltrials
NCT02475070	clinicaltrials
NCT02749032	clinicaltrials
NCT02803892	clinicaltrials
NCT02816970	clinicaltrials
NCT02832999	clinicaltrials
NCT02849899	clinicaltrials
NCT02853630	clinicaltrials
NCT02999841	clinicaltrials
NCT03088670	clinicaltrials
NCT03178591	clinicaltrials
NCT03253562	clinicaltrials
NCT03563794	clinicaltrials
NCT03693560	clinicaltrials
NCT03819127	clinicaltrials
NCT03925701	clinicaltrials
NCT04237493	clinicaltrials
NCT04300790	clinicaltrials
NCT04410341	clinicaltrials
NCT04485845	clinicaltrials
NCT04654676	clinicaltrials
NCT04761861	clinicaltrials
NCT04841096	clinicaltrials
NCT04841096	clinicaltrials
NCT04916093	clinicaltrials
NCT05102149	clinicaltrials
NCT05359432	clinicaltrials
NCT05366868	clinicaltrials
NCT06073600	clinicaltrials
NCT06073600	clinicaltrials
NCT06103747	clinicaltrials
NCT06142656	clinicaltrials
NCT06244407	clinicaltrials
NCT06248801	clinicaltrials
Molport-006-167-819	molport
3642	drugcentral
11695	bindingdb
The data in this table is sourced from UniChem at EBI.