| SpectraBase Spectrum ID |
htumnPYSiv |
| Name |
5-Cl-AB-PINACA artifact (deamino-) MS2 |
| Comments |
F: ITMS + c ESI d w Full ms2 348.30 |
| Copyright |
Copyright © 2018-2025 Wiley-VCH GmbH. All Rights Reserved. |
| Formula |
C18H23ClN3O2 |
| InChI |
InChI=1S/C18H22ClN3O2/c1-13(2)15(12-23)20-18(24)17-14-8-4-5-9-16(14)22(21-17)11-7-3-6-10-19/h4-5,8-9,13,15H,3,6-7,10-11H2,1-2H3/p+1 |
| InChIKey |
MRVOJUZNWSCRHD-UHFFFAOYSA-O |
| Ion Polarity |
P |
| Ionization Type |
ESI |
| SMILES |
N(C(C=1C2=C(C=CC=C2)N(N1)CCCCCCl)=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 |
