| SpectraBase Spectrum ID |
AK2tXiSBWPS |
| Name |
Diphenoxylate-M (deethyl-) MS3_1 |
| Comments |
T: ITMS + c ESI d w Full ms3 [email protected] [email protected] [90.00-390.00] |
| Copyright |
Copyright © 2018-2025 Wiley-VCH GmbH. All Rights Reserved. |
| InChI |
InChI=1S/C27H27N2/c28-22-27(25-12-6-2-7-13-25,26-14-8-3-9-15-26)18-21-29-19-16-24(17-20-29)23-10-4-1-5-11-23/h1-15H,16-21H2/q+1 |
| InChIKey |
RWAWRCMORAVSRP-UHFFFAOYSA-N |
| Ion Polarity |
P |
| Ionization Type |
ESI |
| SMILES |
[C+]1(CCN(CC1)CCC(C#N)(C1=CC=CC=C1)C1=CC=CC=C1)C1=CC=CC=C1 |
| 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 |
ms3 |
| Technique |
ITMS |
