| SpectraBase Spectrum ID |
D7RxtSaxKJe |
| Name |
3-Methylfentanyl-M (HO-aryl-glucuronide) MS3_1 |
| Comments |
T: ITMS + c ESI d w Full ms3 [email protected] [email protected] [50.00-230.00] |
| Copyright |
Copyright © 2018-2025 Wiley-VCH GmbH. All Rights Reserved. |
| Formula |
C23H30N2O2 |
| InChI |
InChI=1S/C23H30N2O2/c1-3-23(27)25(20-10-5-4-6-11-20)21-14-16-24(17-18(21)2)15-13-19-9-7-8-12-22(19)26/h4-12,18,21,26H,3,13-17H2,1-2H3 |
| InChIKey |
SPSGGAOIGXIQGO-UHFFFAOYSA-N |
| Ion Polarity |
P |
| Ionization Type |
ESI |
| SMILES |
OC=1C(CCN2CCC(N(C3=CC=CC=C3)C(CC)=O)C(C2)C)=CC=CC1 |
| 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 |
