| SpectraBase Spectrum ID |
5T6hfx51ym9 |
| Name |
5-F-ADB-PINACA artifact (deamino-) MS3_1 |
| Comments |
F: ITMS + c ESI d w Full ms3 [email protected] [email protected] [75.00-330.00] |
| Copyright |
Copyright © 2018-2025 Wiley-VCH GmbH. All Rights Reserved. |
| Formula |
C18H25FN3O |
| InChI |
InChI=1S/C18H24FN3O/c1-18(2,3)13-20-17(23)16-14-9-5-6-10-15(14)22(21-16)12-8-4-7-11-19/h5-6,9-10,13H,4,7-8,11-12H2,1-3H3/p+1/b20-13+ |
| InChIKey |
YLUFCEYQUQUECN-DEDYPNTBSA-O |
| Ion Polarity |
P |
| Ionization Type |
ESI |
| SMILES |
[NH+](=CC(C)(C)C)C(C1=NN(C2=C1C=CC=C2)CCCCCF)=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 |
