| SpectraBase Spectrum ID |
JlSS90iW6rN |
| Name |
Irbesartan-M (di-HO-) isomer 1 MS2 |
| Comments |
F: ITMS + c ESI d w Full ms2 461.30 |
| Copyright |
Copyright © 2018-2025 Wiley-VCH GmbH. All Rights Reserved. |
| Formula |
C25H28N6O3 |
| InChI |
InChI=1S/C25H28N6O3/c32-14-6-3-9-22-26-25(12-4-5-13-25)24(34)31(22)16-17-10-11-19(21(33)15-17)18-7-1-2-8-20(18)23-27-29-30-28-23/h1-2,7-8,10-11,15,32-33H,3-6,9,12-14,16H2,(H,27,28,29,30) |
| InChIKey |
BMCJXBVSMLXRKL-UHFFFAOYSA-N |
| Ion Polarity |
P |
| Ionization Type |
ESI |
| SMILES |
N1N=NN=C1C=1C(C2=CC=C(C=C2O)CN2C(CCCCO)=NC3(C2=O)CCCC3)=CC=CC1 |
| 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: Metabolite |
| Source of Spectrum |
Maurer/Wissenbach/Weber, Saarland University |
| Spectrum Type |
ms2 |
| Technique |
ITMS |
