SpectraBase Spectrum ID |
9fi1yTtkMuu |
Name |
Trandolapril-M (deethyl-) MS2 |
Comments |
F: ITMS + c ESI d w Full ms2 403.10 |
Copyright |
Copyright © 2018-2025 Wiley-VCH GmbH. All Rights Reserved. |
Formula |
C22H30N2O5 |
InChI |
InChI=1S/C22H30N2O5/c1-14(23-17(21(26)27)12-11-15-7-3-2-4-8-15)20(25)24-18-10-6-5-9-16(18)13-19(24)22(28)29/h2-4,7-8,14,16-19,23H,5-6,9-13H2,1H3,(H,26,27)(H,28,29) |
InChIKey |
AHYHTSYNOHNUSH-UHFFFAOYSA-N |
Ion Polarity |
P |
Ionization Type |
ESI |
SMILES |
N(C(C(=O)O)CCC=1C=CC=CC1)C(C(N1C(C(=O)O)CC2C1CCCC2)=O)C |
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 |