| SpectraBase Spectrum ID |
G1gAsuITXYa |
| Name |
Cyclobenzaprine-M (nor-epoxid-) MS3_2 |
| Comments |
F: ITMS + c ESI d w Full ms3 [email protected] [email protected] [55.00-260.00] |
| Copyright |
Copyright © 2018-2025 Wiley-VCH GmbH. All Rights Reserved. |
| InChI |
InChI=1S/C18H15O/c1-2-7-12-13-8-3-5-10-15(13)17-18(19-17)16-11-6-4-9-14(12)16/h3-11,17-18H,1-2H2/q+1 |
| InChIKey |
PXTMCCXHLXZTDC-UHFFFAOYSA-N |
| Ion Polarity |
P |
| Ionization Type |
ESI |
| SMILES |
[CH2+]CC=C1C2=C(C3C(C=4C1=CC=CC4)O3)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 |
