| SpectraBase Compound ID | CvO0rnpa62Q |
|---|---|
| InChI | InChI=1S/4C20H21NO/c1-21(2)14-6-10-18-17-9-4-3-7-15(17)12-13-16-8-5-11-19(22)20(16)18;1-21(2)14-6-10-17-16-8-4-3-7-15(16)12-13-19-18(17)9-5-11-20(19)22;1-21(2)13-5-8-20-18-7-4-3-6-15(18)9-10-16-14-17(22)11-12-19(16)20;1-21(2)13-5-8-19-18-7-4-3-6-15(18)9-10-16-11-12-17(22)14-20(16)19/h2*3-5,7-13,22H,6,14H2,1-2H3;2*3-4,6-12,14,22H,5,13H2,1-2H3/b18-10+;17-10+;20-8+;19-8+ |
| InChIKey | JGHDIUHNYBVHIL-RXAPQXJISA-N |
| Mol Weight | 291.39 g/mol |
| Molecular Formula | C20H21NO |
| Exact Mass | 291.162314 g/mol |
Mass Spectrum (LC)
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| SpectraBase Spectrum ID | 9eFtvktJJkK |
|---|---|
| Name | Cyclobenzaprine-M (HO-) isomer 1 MS2 |
| Comments | T: ITMS + c ESI d w Full ms2 [email protected] |
| Copyright | Copyright © 2018-2025 Wiley-VCH GmbH. All Rights Reserved. |
| Ion Polarity | P |
| Ionization Type | ESI |
| 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 | ms2 |
| Technique | ITMS |