| SpectraBase Spectrum ID |
BtwKGWezOCQ |
| Name |
Agomelatine-M (di-HO-) MS2 |
| Comments |
F: ITMS + c ESI d w Full ms2 276.10 |
| Copyright |
Copyright © 2018-2025 Wiley-VCH GmbH. All Rights Reserved. |
| Formula |
C15H17NO4 |
| InChI |
InChI=1S/C15H17NO4/c1-9(17)16-6-5-10-3-4-13(18)15-12(10)7-11(20-2)8-14(15)19/h3-4,7-8,18-19H,5-6H2,1-2H3,(H,16,17) |
| InChIKey |
HYRFPKVARGAHFV-UHFFFAOYSA-N |
| Ion Polarity |
P |
| Ionization Type |
ESI |
| SMILES |
N(CCC1=CC=C(C2=C1C=C(C=C2O)OC)O)C(C)=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 |
