| SpectraBase Spectrum ID |
5rfhlfX3TZe |
| Name |
ADB-FUBINACA MS3_1 |
| Comments |
F: ITMS + c ESI d w Full ms3 [email protected] [email protected] [80.00-350.00] |
| Copyright |
Copyright © 2018-2025 Wiley-VCH GmbH. All Rights Reserved. |
| Formula |
C20H21FN3O |
| InChI |
InChI=1S/C20H20FN3O/c1-20(2,3)13-22-19(25)18-16-6-4-5-7-17(16)24(23-18)12-14-8-10-15(21)11-9-14/h4-11,13H,12H2,1-3H3/p+1/b22-13+ |
| InChIKey |
LDVISPFUYHGYHK-LPYMAVHISA-O |
| Ion Polarity |
P |
| Ionization Type |
ESI |
| SMILES |
[NH+](=CC(C)(C)C)C(C1=NN(C2=C1C=CC=C2)CC1=CC=C(C=C1)F)=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 |
