| SpectraBase Spectrum ID |
5BsypwyMGEJ |
| Name |
Reboxetine-M (dealkyl-glucuronide) MS3_1 |
| Comments |
T: ITMS + c ESI d w Full ms3 [email protected] [email protected] |
| Copyright |
Copyright © 2018-2025 Wiley-VCH GmbH. All Rights Reserved. |
| Formula |
C17H19NO3 |
| InChI |
InChI=1S/C17H19NO3/c19-14-8-4-5-9-15(14)21-17(13-6-2-1-3-7-13)16-12-18-10-11-20-16/h1-9,16-19H,10-12H2 |
| InChIKey |
PODXMAMDNUUSTL-UHFFFAOYSA-N |
| Ion Polarity |
P |
| Ionization Type |
ESI |
| SMILES |
OC1=C(OC(C2OCCNC2)C2=CC=CC=C2)C=CC=C1 |
| 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 |
