| SpectraBase Spectrum ID |
Ivyw7b7OlxD |
| Name |
PX-3 MS2 |
| Comments |
F: ITMS + c ESI d w Full ms2 405.30 |
| Copyright |
Copyright © 2018-2025 Wiley-VCH GmbH. All Rights Reserved. |
| Formula |
C24H28N4O2 |
| InChI |
InChI=1S/C24H28N4O2/c25-23(29)20(15-17-9-3-1-4-10-17)26-24(30)22-19-13-7-8-14-21(19)28(27-22)16-18-11-5-2-6-12-18/h1,3-4,7-10,13-14,18,20H,2,5-6,11-12,15-16H2,(H2,25,29)(H,26,30) |
| InChIKey |
DMHWDSGURMXMGE-UHFFFAOYSA-N |
| Ion Polarity |
P |
| Ionization Type |
ESI |
| SMILES |
NC(C(CC=1C=CC=CC1)NC(C=1C2=C(N(N1)CC1CCCCC1)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 |
