| SpectraBase Spectrum ID |
5fnOVWkIAS |
| Name |
Amitriptyline-M (nor-di-HO-glucuronide) isomer 2 MS3_1 |
| Comments |
F: ITMS + c ESI d w Full ms3 [email protected] [email protected] [55.00-260.00] |
| Copyright |
Copyright © 2018-2025 Wiley-VCH GmbH. All Rights Reserved. |
| Formula |
C19H21NO2 |
| InChI |
InChI=1S/C19H21NO2/c1-20-10-4-7-16-15-6-3-2-5-13(15)11-19(22)17-9-8-14(21)12-18(16)17/h2-3,5-9,12,19-22H,4,10-11H2,1H3/b16-7+ |
| InChIKey |
IOUYJNUWVOCEGV-FRKPEAEDSA-N |
| Ion Polarity |
P |
| Ionization Type |
ESI |
| SMILES |
N(CC\C=C/1C=2C(CC(C=3C1=CC(=CC3)O)O)=CC=CC2)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 |
ms3 |
| Technique |
ITMS |
