| SpectraBase Spectrum ID |
FYNSkwEJjSB |
| Name |
PX-1 MS3_1 |
| Comments |
F: ITMS + c ESI d w Full ms3 [email protected] [email protected] [85.00-365.00] |
| Copyright |
Copyright © 2018-2025 Wiley-VCH GmbH. All Rights Reserved. |
| Formula |
C22H24FN2O |
| InChI |
InChI=1S/C22H23FN2O/c23-14-7-2-8-16-25-17-20(19-11-5-6-12-21(19)25)22(26)24-15-13-18-9-3-1-4-10-18/h1,3-6,9-12,15,17H,2,7-8,13-14,16H2/p+1/b24-15+ |
| InChIKey |
FBYILUAOGMAQPE-BUVRLJJBSA-O |
| Ion Polarity |
P |
| Ionization Type |
ESI |
| SMILES |
[NH+](=CCC1=CC=CC=C1)C(C=1C2=C(N(C1)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: Parent |
| Source of Spectrum |
Maurer/Wissenbach/Weber, Saarland University |
| Spectrum Type |
ms3 |
| Technique |
ITMS |
