| SpectraBase Spectrum ID |
3jGhH0L970K |
| Name |
Cyclobenzaprine-M (HO-glucuronide) isomer 3 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 |
C20H21NO |
| InChI |
InChI=1S/C20H21NO/c1-21(2)13-7-12-17-16-9-4-3-8-15(16)14-20(22)19-11-6-5-10-18(17)19/h3-6,8-12,14,22H,7,13H2,1-2H3/b17-12- |
| InChIKey |
JBLGRUVEOVBSLT-ATVHPVEESA-N |
| Ion Polarity |
P |
| Ionization Type |
ESI |
| SMILES |
OC1=CC2=C(\C(C=3C1=CC=CC3)=C\CCN(C)C)C=CC=C2 |
| 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 |
