| SpectraBase Spectrum ID |
4gYBaUc5xGh |
| Name |
Atomoxetine-M (nor-HOOC-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/C16H17NO3/c17-11-10-14(12-6-2-1-3-7-12)20-15-9-5-4-8-13(15)16(18)19/h1-9,14H,10-11,17H2,(H,18,19) |
| InChIKey |
FCQPXPQSKZGTED-UHFFFAOYSA-N |
| Ion Polarity |
P |
| Ionization Type |
ESI |
| SMILES |
OC(C1=C(OC(CCN)C2=CC=CC=C2)C=CC=C1)=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 |
