| SpectraBase Spectrum ID |
8pLI4eszqa |
| Name |
Candesartan MS3_1 |
| Comments |
F: ITMS + c ESI d w Full ms3 [email protected] [email protected] |
| Copyright |
Copyright © 2018-2025 Wiley-VCH GmbH. All Rights Reserved. |
| InChI |
InChI=1S/C22H14N6O2/c29-22(30)18-6-3-7-19-20(18)28(13-23-19)12-14-8-10-15(11-9-14)16-4-1-2-5-17(16)21-24-26-27-25-21/h1-11H,12H2,(H-,24,25,26,27,29,30)/p+1 |
| InChIKey |
NJXXLDBSUWVHOX-UHFFFAOYSA-O |
| Ion Polarity |
P |
| Ionization Type |
ESI |
| SMILES |
N1N=NC(C2=C(C3=CC=C(CN4C5=C(C(=O)O)C=CC=C5N=[C+]4)C=C3)C=CC=C2)=N1 |
| 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 |
