| SpectraBase Spectrum ID |
6xdL41Ow73b |
| Name |
Venlafaxine-M (O-demethyl-N-demethyl-glucuronide) MS3_1 |
| Comments |
F: ITMS + c ESI d w Full ms3 [email protected] [email protected] [50.00-245.00] |
| Copyright |
Copyright © 2018-2025 Wiley-VCH GmbH. All Rights Reserved. |
| InChI |
InChI=1S/C15H22NO/c1-17-14-9-7-13(8-10-14)15(11-16)12-5-3-2-4-6-12/h7-10,15H,2-6,11,16H2,1H3/q+1 |
| InChIKey |
DYBJDKNJSZHVNQ-UHFFFAOYSA-N |
| Ion Polarity |
P |
| Ionization Type |
ESI |
| SMILES |
NCC([C+]1CCCCC1)C=1C=CC(=CC1)OC |
| 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 |
