| SpectraBase Spectrum ID |
9zAliq3Loe |
| Name |
Rupatadine MS3_1 |
| Comments |
T: ITMS + c ESI d w Full ms3 [email protected] [email protected] [70.00-320.00] |
| Copyright |
Copyright © 2018-2025 Wiley-VCH GmbH. All Rights Reserved. |
| InChI |
InChI=1S/C19H17ClN2/c20-16-5-6-17-15(12-16)4-3-14-2-1-9-22-19(14)18(17)13-7-10-21-11-8-13/h1-2,5-6,9-10,12H,3-4,7-8,11H2/p+1/b18-13+ |
| InChIKey |
JTURQPXTWFWZTJ-QGOAFFKASA-O |
| Ion Polarity |
P |
| Ionization Type |
ESI |
| SMILES |
[NH+]=1CC\C(CC1)=C\1C2=C(C=C(C=C2)Cl)CCC2=C1N=CC=C2 |
| 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 |
ms3 |
| Technique |
ITMS |
