| SpectraBase Spectrum ID |
6NjZyeDE2SF |
| Name |
MAB-CHMINACA-M (HO-) isomer 2 MS3_1 |
| Comments |
F: ITMS + c ESI d w Full ms3 [email protected] [email protected] [75.00-325.00] |
| Copyright |
Copyright © 2018-2025 Wiley-VCH GmbH. All Rights Reserved. |
| Formula |
C19H26N3O |
| InChI |
InChI=1S/C19H25N3O/c1-14(2)12-20-19(23)18-16-10-6-7-11-17(16)22(21-18)13-15-8-4-3-5-9-15/h6-7,10-12,14-15H,3-5,8-9,13H2,1-2H3/p+1/b20-12+ |
| InChIKey |
UGJKAPDFPGWDNH-UDWIEESQSA-O |
| Ion Polarity |
P |
| Ionization Type |
ESI |
| SMILES |
[NH+](=CC(C)C)C(C1=NN(C2=C1C=CC=C2)CC1CCCCC1)=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 |
