| SpectraBase Spectrum ID |
Gq9N7boZqXW |
| Name |
Doxepin-M (HO-glucuronide) MS3_1 |
| Comments |
F: ITMS + c ESI d w Full ms3 [email protected] [email protected] |
| Copyright |
Copyright © 2018-2025 Wiley-VCH GmbH. All Rights Reserved. |
| Formula |
C19H21NO2 |
| InChI |
InChI=1S/C19H21NO2/c1-20(2)11-5-8-17-16-7-4-3-6-14(16)13-22-19-12-15(21)9-10-18(17)19/h3-4,6-10,12,21H,5,11,13H2,1-2H3/b17-8- |
| InChIKey |
OHKQNFCWNWKAIY-IUXPMGMMSA-N |
| Ion Polarity |
P |
| Ionization Type |
ESI |
| SMILES |
OC=1C=CC=2\C(=C/CCN(C)C)C=3C=CC=CC3COC2C1 |
| 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 |
