| SpectraBase Spectrum ID |
1vUBio2wpTZ |
| Name |
5-F-APP-PINACA MS3_1 |
| Comments |
F: ITMS + c ESI d w Full ms3 [email protected] [email protected] [85.00-365.00] |
| Copyright |
Copyright © 2018-2025 Wiley-VCH GmbH. All Rights Reserved. |
| Formula |
C21H23FN3O |
| InChI |
InChI=1S/C21H22FN3O/c22-14-7-2-8-16-25-19-12-6-5-11-18(19)20(24-25)21(26)23-15-13-17-9-3-1-4-10-17/h1,3-6,9-12,15H,2,7-8,13-14,16H2/p+1 |
| InChIKey |
JUGDMENWWOKNNA-UHFFFAOYSA-O |
| Ion Polarity |
P |
| Ionization Type |
ESI |
| SMILES |
N([CH+]CC=1C=CC=CC1)C(C=1C2=C(N(N1)CCCCCF)C=CC=C2)=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 |
