| SpectraBase Spectrum ID |
4a8BdBQA9Xe |
| Name |
Amineptine MS2 |
| CAS Registry Number |
57574-09-1 |
| Comments |
F: ITMS + c ESI d w Full ms2 338.10 |
| Copyright |
Copyright © 2018-2025 Wiley-VCH GmbH. All Rights Reserved. |
| Formula |
C22H27NO2 |
| InChI |
InChI=1S/C22H27NO2/c24-21(25)13-3-1-2-8-16-23-22-19-11-6-4-9-17(19)14-15-18-10-5-7-12-20(18)22/h4-7,9-12,22-23H,1-3,8,13-16H2,(H,24,25) |
| InChIKey |
ONNOFKFOZAJDHT-UHFFFAOYSA-N |
| Ion Polarity |
P |
| Ionization Type |
ESI |
| SMILES |
N(C1C2=C(CCC3=C1C=CC=C3)C=CC=C2)CCCCCCC(=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 |
