| SpectraBase Spectrum ID |
4ji3f4xcPds |
| Name |
5-Cl-AB-PINACA-M (HOOC-) MS3_2 |
| Comments |
F: ITMS + c ESI d w Full ms3 [email protected] [email protected] [55.00-260.00] |
| Copyright |
Copyright © 2018-2025 Wiley-VCH GmbH. All Rights Reserved. |
| InChI |
InChI=1S/C13H14ClN2O/c14-8-4-1-5-9-16-13-7-3-2-6-11(13)12(10-17)15-16/h2-3,6-7H,1,4-5,8-9H2/q+1 |
| InChIKey |
KJKFRZGSODYCDZ-UHFFFAOYSA-N |
| Ion Polarity |
P |
| Ionization Type |
ESI |
| SMILES |
[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: Metabolite |
| Source of Spectrum |
Maurer/Wissenbach/Weber, Saarland University |
| Spectrum Type |
ms3 |
| Technique |
ITMS |
