| SpectraBase Spectrum ID |
GjqGsQdqFjx |
| Name |
PX-2 MS2 |
| Comments |
F: ITMS + c ESI d w Full ms2 397.30 |
| Copyright |
Copyright © 2018-2025 Wiley-VCH GmbH. All Rights Reserved. |
| Formula |
C22H25FN4O2 |
| InChI |
InChI=1S/C22H25FN4O2/c23-13-7-2-8-14-27-19-12-6-5-11-17(19)20(26-27)22(29)25-18(21(24)28)15-16-9-3-1-4-10-16/h1,3-6,9-12,18H,2,7-8,13-15H2,(H2,24,28)(H,25,29) |
| InChIKey |
OJTAHWMZBJRSIR-UHFFFAOYSA-N |
| Ion Polarity |
P |
| Ionization Type |
ESI |
| SMILES |
NC(C(CC=1C=CC=CC1)NC(C=1C2=C(N(N1)CCCCCF)C=CC=C2)=O)=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 |
ms2 |
| Technique |
ITMS |
