| SpectraBase Spectrum ID |
IwtLMFrsZQc |
| Name |
5-F-AKB48-M (di-HO-) isomer 2 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/c14-8-4-1-5-9-17-11-7-3-2-6-10(11)12(16-17)13(15)18/h2-3,6-7H,1,4-5,8-9H2,(H2,15,18)/p+1 |
| InChIKey |
UZXVZOIHPYUXOI-UHFFFAOYSA-O |
| Ion Polarity |
P |
| Ionization Type |
ESI |
| SMILES |
[NH3+]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: Metabolite |
| Source of Spectrum |
Maurer/Wissenbach/Weber, Saarland University |
| Spectrum Type |
ms3 |
| Technique |
ITMS |
