| SpectraBase Spectrum ID |
Key4Kg2GQ1o |
| Name |
Cyclobenzaprine-M (HO-) isomer 1 MS3_1 |
| 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/C18H14O/c1-2-5-17-16-7-4-3-6-13(16)8-9-14-10-11-15(19)12-18(14)17/h3-12H,1-2H2/p+1/b17-5+ |
| InChIKey |
LNVKZHBRLBRQGX-YAXRCOADSA-O |
| Ion Polarity |
P |
| Ionization Type |
ESI |
| SMILES |
OC1=CC=2\C(=C\C[CH2+])C=3C(C=CC2C=C1)=CC=CC3 |
| 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 |
