| SpectraBase Spectrum ID |
F9RSeD14NSj |
| Name |
AB-PINACA artifact (deamino-) MS2 |
| Comments |
F: ITMS + c ESI d w Full ms2 314.30 |
| Copyright |
Copyright © 2018-2025 Wiley-VCH GmbH. All Rights Reserved. |
| Formula |
C18H24N3O2 |
| InChI |
InChI=1S/C18H23N3O2/c1-4-5-8-11-21-16-10-7-6-9-14(16)17(20-21)18(23)19-15(12-22)13(2)3/h6-7,9-10,13,15H,4-5,8,11H2,1-3H3/p+1 |
| InChIKey |
YYONXMYDKWSHHV-UHFFFAOYSA-O |
| Ion Polarity |
P |
| Ionization Type |
ESI |
| SMILES |
N(C(C=1C2=C(C=CC=C2)N(N1)CCCCC)=O)C([C+]=O)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: Parent |
| Source of Spectrum |
Maurer/Wissenbach/Weber, Saarland University |
| Spectrum Type |
ms2 |
| Technique |
ITMS |
