| SpectraBase Spectrum ID |
A03FX983Ie |
| Name |
PX-1-M (N-dealkyl-) MS2 |
| Comments |
F: ITMS + c ESI d w Full ms2 308.10 |
| Copyright |
Copyright © 2018-2025 Wiley-VCH GmbH. All Rights Reserved. |
| Formula |
C18H17N3O2 |
| InChI |
InChI=1S/C18H17N3O2/c19-17(22)16(10-12-6-2-1-3-7-12)21-18(23)14-11-20-15-9-5-4-8-13(14)15/h1-9,11,16,20H,10H2,(H2,19,22)(H,21,23) |
| InChIKey |
FFLJXVNUNOEASY-UHFFFAOYSA-N |
| Ion Polarity |
P |
| Ionization Type |
ESI |
| SMILES |
NC(C(CC=1C=CC=CC1)NC(C=1C2=C(C=CC=C2)NC1)=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: Metabolite |
| Source of Spectrum |
Maurer/Wissenbach/Weber, Saarland University |
| Spectrum Type |
ms2 |
| Technique |
ITMS |
