| SpectraBase Spectrum ID |
7oUb1NEQADU |
| Name |
ADB-PINACA artifact (deamino-) MS3_1 |
| Comments |
F: ITMS + c ESI d w Full ms3 [email protected] [email protected] [70.00-315.00] |
| Copyright |
Copyright © 2018-2025 Wiley-VCH GmbH. All Rights Reserved. |
| Formula |
C18H26N3O |
| InChI |
InChI=1S/C18H25N3O/c1-5-6-9-12-21-15-11-8-7-10-14(15)16(20-21)17(22)19-13-18(2,3)4/h7-8,10-11,13H,5-6,9,12H2,1-4H3/p+1/b19-13+ |
| InChIKey |
MIIGOUYALXMXIM-CPNJWEJPSA-O |
| Ion Polarity |
P |
| Ionization Type |
ESI |
| SMILES |
[NH+](=CC(C)(C)C)C(C1=NN(C2=C1C=CC=C2)CCCCC)=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: Parent |
| Source of Spectrum |
Maurer/Wissenbach/Weber, Saarland University |
| Spectrum Type |
ms3 |
| Technique |
ITMS |
