| SpectraBase Spectrum ID |
6A0Y17hr72 |
| Name |
3,5-CHMFUPPYCA MS2 |
| Comments |
F: ITMS + c ESI d w Full ms2 401.30 |
| Copyright |
Copyright © 2018-2025 Wiley-VCH GmbH. All Rights Reserved. |
| Formula |
C22H29FN4O2 |
| InChI |
InChI=1S/C22H29FN4O2/c1-14(2)20(21(24)28)25-22(29)18-12-19(16-8-10-17(23)11-9-16)27(26-18)13-15-6-4-3-5-7-15/h8-12,14-15,20H,3-7,13H2,1-2H3,(H2,24,28)(H,25,29) |
| InChIKey |
XMZXGVYPIIOHAQ-UHFFFAOYSA-N |
| Ion Polarity |
P |
| Ionization Type |
ESI |
| SMILES |
N(C(C=1C=C(N(N1)CC1CCCCC1)C=1C=CC(=CC1)F)=O)C(C(=O)N)C(C)C |
| 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 |
ms2 |
| Technique |
ITMS |
