| SpectraBase Spectrum ID |
7esmjhwH20 |
| Name |
Agomelatine-M (HO-) MS3_1 |
| Comments |
T: ITMS + c ESI d w Full ms3 [email protected] [email protected] [50.00-230.00] |
| Copyright |
Copyright © 2018-2025 Wiley-VCH GmbH. All Rights Reserved. |
| InChI |
InChI=1S/C13H15NO2/c1-16-10-7-12-9(5-6-14)3-2-4-11(12)13(15)8-10/h2-4,7-8,15H,5-6,14H2,1H3/p+1 |
| InChIKey |
FYZXADVHWPASDR-UHFFFAOYSA-O |
| Ion Polarity |
P |
| Ionization Type |
ESI |
| SMILES |
[NH3+]CCC=1C2=C(C(=CC(=C2)OC)O)C=CC1 |
| 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 |
