| SpectraBase Spectrum ID |
F30HUwsHdHF |
| Name |
Valsartan-M (HO-) MS3_1 |
| Comments |
T: ITMS + c ESI d w Full ms3 [email protected] [email protected] [85.00-365.00] |
| Copyright |
Copyright © 2018-2025 Wiley-VCH GmbH. All Rights Reserved. |
| InChI |
InChI=1S/C19H21N5O2/c1-2-15(25)11-18(26)20-12-13-7-9-14(10-8-13)16-5-3-4-6-17(16)19-21-23-24-22-19/h3-10,15,25H,2,11-12H2,1H3,(H,20,26)(H,21,22,23,24)/p+1 |
| InChIKey |
JTUHXULBGQISQR-UHFFFAOYSA-O |
| Ion Polarity |
P |
| Ionization Type |
ESI |
| SMILES |
N1N=NN=C1C1=C(C2=CC=C(C\N=C/(CC(CC)O)[OH2+])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 |
