| SpectraBase Spectrum ID |
ImDUvKGOrVj |
| Name |
MAB-CHMINACA-M (di-HO-) isomer 1 MS3_1 |
| Comments |
F: ITMS + c ESI d w Full ms3 [email protected] [email protected] [80.00-370.00] |
| Copyright |
Copyright © 2018-2025 Wiley-VCH GmbH. All Rights Reserved. |
| Formula |
C20H28N3O3 |
| InChI |
InChI=1S/C20H27N3O3/c1-20(2,3)12-21-19(26)18-15-6-4-5-7-16(15)23(22-18)11-13-8-9-14(24)10-17(13)25/h4-7,12-14,17,24-25H,8-11H2,1-3H3/p+1 |
| InChIKey |
GEMFYYYAUNRADB-UHFFFAOYSA-O |
| Ion Polarity |
P |
| Ionization Type |
ESI |
| SMILES |
N(C(C=1C2=C(N(CC3CCC(CC3O)O)N1)C=CC=C2)=O)[CH+]C(C)(C)C |
| 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 |
