| SpectraBase Spectrum ID |
69jqJXs4pM |
| Name |
Atomoxetine-M (HOOC-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. |
| InChI |
InChI=1S/C17H19NO4/c1-18-11-10-14(12-6-3-2-4-7-12)22-15-9-5-8-13(19)16(15)17(20)21/h2-9,14,18-19H,10-11H2,1H3,(H,20,21) |
| InChIKey |
DDRUUMRZIXEHEM-UHFFFAOYSA-N |
| Ion Polarity |
P |
| Ionization Type |
ESI |
| SMILES |
OC=1C(=C(OC(CCNC)C2=CC=CC=C2)C=CC1)C(=O)O |
| 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 |
