| SpectraBase Spectrum ID |
JAxOZ80YxbF |
| Name |
Agomelatine-M (O-demethyl-) 2AC |
| Classification |
Antidepressant |
| Copyright |
Copyright © 2023-2024 Wiley-VCH GmbH. All Rights Reserved. |
| Exact Mass |
313.131408092 u |
| Formula |
C18H19NO4 |
| InChI |
InChI=1S/C18H19NO4/c1-12(20)19(13(2)21)10-9-16-6-4-5-15-7-8-17(11-18(15)16)23-14(3)22/h4-8,11H,9-10H2,1-3H3 |
| InChIKey |
CTDQVTWBLVGIKV-UHFFFAOYSA-N |
| Ionization Type |
Electron Ionization (EI) |
| Molecular Weight |
313.353 g/mol |
| SMILES |
c1(OC(C)=O)cc2c(cccc2CCN(C(=O)C)C(C)=O)cc1 |
| SPLASH |
splash10-00di-1920000000-bfaa275ca6d5ec722a43 |
| Sample Comments |
The MMPW Reference Handbook and associated Tables are attached to Record #1, under the Attachments tab. Refer to these references for an explanation of the Sample Preparation Procedure "Detected" abbreviations, as well as other relevant information pertaining to this database. |
| Sample Preparation Procedure |
Detected: U+UHYAC |
| Source of Spectrum |
H.H.Maurer, M.Meyer, K.Pfleger, A.A. Weber / University of Saarland, D-66424 Homburg Germany |
| Technique |
GC/MS |
| Wiley ID |
MMPW6e_8502 |
