| SpectraBase Spectrum ID |
JHrbfcPJJRo |
| Name |
Amitriptyline-M/A (N-oxide) |
| CAS Registry Number |
4317-14-0 |
| Classification |
Drug metabolite, artifact |
| Comments |
Spectrum verified by crosschecking against external libraries (one reference spectrum with similarity >= 99% found) |
| Copyright |
Copyright © 2024-2025 DigiLab GmbH and Wiley-VCH GmbH. All Rights Reserved. |
| Exact Mass |
293.177964364 u |
| Formula |
C20H23NO |
| InChI |
InChI=1S/C20H23NO/c1-21(2,22)15-7-12-20-18-10-5-3-8-16(18)13-14-17-9-4-6-11-19(17)20/h3-6,8-12H,7,13-15H2,1-2H3 |
| InChIKey |
ZPMKQFOGINQDAM-UHFFFAOYSA-N |
| Ionization Type |
Electron Ionization (EI) |
| Molecular Weight |
293.410 g/mol |
| Nominal Mass |
293 u |
| Quality |
905 |
| Retention Index |
2284 |
| SMILES |
C1(C2=C(CCC=3C1=CC=CC3)C=CC=C2)=CCC[N+]([O-])(C)C |
| SPLASH |
splash10-0a4i-9210000000-83dfd59fe0788276f624 |
| Source of Spectrum |
DigiLab GmbH (C) 2024 |
| Synonyms |
Amitriptyline N-oxide
(3-(10,11-dihydro-5H-dibenzo[a,d][7]annulen-5-ylidene)propyl)(dimethyl)-lambda5-azanone |
| Technique |
GC/MS |
| Wiley ID |
DD2024_000157 |
