| SpectraBase Spectrum ID |
3r7nS6UoFyU |
| Name |
Cinchocaine-M (bis-nor-) MS2 |
| Comments |
F: ITMS + c ESI d w Full ms2 288.10 |
| Copyright |
Copyright © 2018-2025 Wiley-VCH GmbH. All Rights Reserved. |
| Formula |
C16H21N3O2 |
| InChI |
InChI=1S/C16H21N3O2/c1-2-3-10-21-15-11-13(16(20)18-9-8-17)12-6-4-5-7-14(12)19-15/h4-7,11H,2-3,8-10,17H2,1H3,(H,18,20) |
| InChIKey |
WWOIISIIUUBRRX-UHFFFAOYSA-N |
| Ion Polarity |
P |
| Ionization Type |
ESI |
| SMILES |
NCCNC(C=1C=2C(=CC=CC2)N=C(C1)OCCCC)=O |
| 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 |
