| SpectraBase Spectrum ID |
DKJ3kBfmvjE |
| Name |
MDMB-CHMINACA-M (HOOC-) MS3_1 |
| Comments |
F: ITMS + c ESI d w Full ms3 [email protected] [email protected] [75.00-340.00] |
| Copyright |
Copyright © 2018-2025 Wiley-VCH GmbH. All Rights Reserved. |
| Formula |
C20H28N3O |
| InChI |
InChI=1S/C20H27N3O/c1-20(2,3)14-21-19(24)18-16-11-7-8-12-17(16)23(22-18)13-15-9-5-4-6-10-15/h7-8,11-12,14-15H,4-6,9-10,13H2,1-3H3/p+1/b21-14+ |
| InChIKey |
CZESLWWSSXLWEY-KGENOOAVSA-O |
| Ion Polarity |
P |
| Ionization Type |
ESI |
| SMILES |
[NH+](=CC(C)(C)C)C(C=1C2=C(N(N1)CC1CCCCC1)C=CC=C2)=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 |
ms3 |
| Technique |
ITMS |
