| SpectraBase Spectrum ID |
8K4uIJxKQ3m |
| Name |
5-F-Cumyl-P7AICA MS3_1 |
| Comments |
F: ITMS + c ESI d w Full ms3 [email protected] [email protected] [55.00-265.00] |
| Copyright |
Copyright © 2018-2025 Wiley-VCH GmbH. All Rights Reserved. |
| Formula |
C13H17FN3O |
| InChI |
InChI=1S/C13H16FN3O/c14-6-2-1-3-8-17-9-11(12(15)18)10-5-4-7-16-13(10)17/h4-5,7,9H,1-3,6,8H2,(H2,15,18)/p+1 |
| InChIKey |
HFQMNHDZFMOQDA-UHFFFAOYSA-O |
| Ion Polarity |
P |
| Ionization Type |
ESI |
| SMILES |
[NH+]1(C=C(C(=O)N)C2=C1N=CC=C2)CCCCCF |
| 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 |
