| SpectraBase Spectrum ID |
473NDKOMV6 |
| Name |
Agomelatine |
| CAS Registry Number |
138112-76-2 |
| Classification |
Antidepressant |
| Copyright |
Copyright © 2023-2024 Wiley-VCH GmbH. All Rights Reserved. |
| Exact Mass |
243.125928789 u |
| Formula |
C15H17NO2 |
| InChI |
InChI=1S/C15H17NO2/c1-11(17)16-9-8-13-5-3-4-12-6-7-14(18-2)10-15(12)13/h3-7,10H,8-9H2,1-2H3,(H,16,17) |
| InChIKey |
YJYPHIXNFHFHND-UHFFFAOYSA-N |
| Ionization Type |
Electron Ionization (EI) |
| Molecular Weight |
243.306 g/mol |
| SMILES |
c1(cc2c(cc1)cccc2CCNC(C)=O)OC |
| SPLASH |
splash10-0089-1900000000-fdaca4de7d67f1c69407 |
| 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: P-I |
| 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_8369 |
