| SpectraBase Spectrum ID |
GXDHEFUKuPE |
| Name |
Varenicline MS2 |
| CAS Registry Number |
249296-44-4 |
| Comments |
F: ITMS + c ESI d w Full ms2 212.10 |
| Copyright |
Copyright © 2018-2025 Wiley-VCH GmbH. All Rights Reserved. |
| Formula |
C13H13N3 |
| InChI |
InChI=1S/C13H13N3/c1-2-16-13-5-11-9-3-8(6-14-7-9)10(11)4-12(13)15-1/h1-2,4-5,8-9,14H,3,6-7H2 |
| InChIKey |
JQSHBVHOMNKWFT-UHFFFAOYSA-N |
| Ion Polarity |
P |
| Ionization Type |
ESI |
| SMILES |
N1CC2C=3C=C4C(=CC3C(C1)C2)N=CC=N4 |
| Sample Comments |
The MWW Reference Handbook and associated table are attached to Record #1, under the Attachments tab. Refer to these references for the sample preparation procedure and abbreviations, as well as other relevant information pertaining to this database. |
| Sample Description |
Analyte Type: Parent |
| Source of Spectrum |
Maurer/Wissenbach/Weber, Saarland University |
| Spectrum Type |
ms2 |
| Technique |
ITMS |
