Aliskiren MS3_1
Compound with spectra: 1 MS (LC)
| SpectraBase Compound ID | AOue7kMt4cb |
|---|---|
| InChI | InChI=1S/C23H37N3O5/c1-14(2)16(10-15-6-8-20(31-5)19(28)11-15)12-17(24)18(27)7-9-21(29)26-13-23(3,4)22(25)30/h6,8-9,11,13-14,16-18,27-29H,7,10,12,24H2,1-5H3,(H2,25,30)/p+1/b21-9-,26-13+ |
| InChIKey | RBBGQXTUVVEZAP-OHUOUPQQSA-O |
| Mol Weight | 436.6 g/mol |
| Molecular Formula | C23H38N3O5 |
| Exact Mass | 436.281146 g/mol |
| Copyright | Copyright © 2018-2025 Wiley-VCH GmbH. All Rights Reserved. |
|---|---|
| Source of Spectrum | Maurer/Wissenbach/Weber, Saarland University |
| Technique | ITMS |
Aliskiren MS3_2
5-((4-(Benzo[D][1,3]dioxol-5-ylmethyl)tetrahydrofuran-3-yl)methyl)-2-methoxyphenol
1,4-Butanediol, 2-[(3,4-dimethoxyphenyl)methyl]-3-[(4-hydroxy-3-methoxyphenyl)methyl]-, 1,4-diacetate, [R-(R*,R*)]-
(2R,3R)-2-(4-benzoxy-3-methoxy-benzyl)-3-veratryl-butane-1,4-diol
2-(4-Hydroxybenzyl)-3-(3,4-dimethoxybenzyl)tetrahydrofuran
(+-) 1-(3,4-dimethoxyphenyl)-4-(3,4-methylenedioxyphenyl)-2,3-dimethoxymethylbutane
5-DEMETHOXYNIRANTHIN;(8S,8'S)-3,4-METHYLENEDIOXY-3',4',9,9'-TETRAMETHOXYLIGNAN
Heminordihydroguaiaretic acid, triacetate
4-((4-(Benzo[D][1,3]dioxol-5-ylmethyl)tetrahydrofuran-3-yl)methyl)-2-methoxyphenol
ISOTAXIRESINOL-9,9'-ACETONIDE
This compound is available in the following databases:
Maurer/Wissenbach/Weber LC-MSn Library of Drugs, Poisons, and Their Metabolites, 2nd Edition
Author: Hans H. Maurer, Dirk K. Wissenbach, Armin A. Weber
The Maurer/Wissenbach/Weber LC-MSn Library of Drugs, Poisons, and Their Metabolites provides a proven metabolite-based LCMSn screening method and MS2 and MS3 spectra of parent compounds and their metabolites, making it one of the only LC-MSn screening libraries that focuses on metabolite spectra. Learn more.