| SpectraBase Spectrum ID |
JTHTvO8i2l5 |
| Name |
5-Cl-AB-PINACA artifact (deamino-) MS3_1 |
| Comments |
F: ITMS + c ESI d w Full ms3 [email protected] [email protected] [75.00-335.00] |
| Copyright |
Copyright © 2018-2025 Wiley-VCH GmbH. All Rights Reserved. |
| Formula |
C17H23ClN3O |
| InChI |
InChI=1S/C17H22ClN3O/c1-13(2)12-19-17(22)16-14-8-4-5-9-15(14)21(20-16)11-7-3-6-10-18/h4-5,8-9,12-13H,3,6-7,10-11H2,1-2H3/p+1/b19-12+ |
| InChIKey |
NRALTBOMGQSDNB-XDHOZWIPSA-O |
| Ion Polarity |
P |
| Ionization Type |
ESI |
| SMILES |
[NH+](=CC(C)C)C(C1=NN(C2=C1C=CC=C2)CCCCCCl)=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 |
