| SpectraBase Spectrum ID |
HRubzkwcsCz |
| Name |
AB-PINACA-M (HOOC-) MS3_1 |
| Comments |
F: ITMS + c ESI d w Full ms3 [email protected] [email protected] [65.00-300.00] |
| Copyright |
Copyright © 2018-2025 Wiley-VCH GmbH. All Rights Reserved. |
| Formula |
C17H24N3O |
| InChI |
InChI=1S/C17H23N3O/c1-4-5-8-11-20-15-10-7-6-9-14(15)16(19-20)17(21)18-12-13(2)3/h6-7,9-10,12-13H,4-5,8,11H2,1-3H3/p+1/b18-12+ |
| InChIKey |
IJJPZFWPXJKAOW-LDADJPATSA-O |
| Ion Polarity |
P |
| Ionization Type |
ESI |
| SMILES |
[NH+](=CC(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: Metabolite |
| Source of Spectrum |
Maurer/Wissenbach/Weber, Saarland University |
| Spectrum Type |
ms3 |
| Technique |
ITMS |
