| SpectraBase Spectrum ID |
JR5s8KonOOg |
| Name |
Valsartan-M (HO-X-conjugate 113) MS3_1 |
| Comments |
T: ITMS + c ESI d w Full ms3 [email protected] [email protected] |
| Copyright |
Copyright © 2018-2025 Wiley-VCH GmbH. All Rights Reserved. |
| Formula |
C24H29N5O4 |
| InChI |
InChI=1S/C24H29N5O4/c1-4-18(30)13-21(31)29(22(15(2)3)24(32)33)14-16-9-11-17(12-10-16)19-7-5-6-8-20(19)23-25-27-28-26-23/h5-12,15,18,22,30H,4,13-14H2,1-3H3,(H,32,33)(H,25,26,27,28) |
| InChIKey |
PAVLQSDRWLLGIH-UHFFFAOYSA-N |
| Ion Polarity |
P |
| Ionization Type |
ESI |
| SMILES |
N1N=NN=C1C1=C(C2=CC=C(CN(C(CC(CC)O)=O)C(C(=O)O)C(C)C)C=C2)C=CC=C1 |
| 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 |
ms3 |
| Technique |
ITMS |
