| SpectraBase Spectrum ID |
2YXbqiQe3uB |
| Name |
Tianeptine-M (HO-) artifact |
| Classification |
Antidepressant |
| Copyright |
Copyright © 2023-2024 Wiley-VCH GmbH. All Rights Reserved. |
| Exact Mass |
390.116876861 u |
| Formula |
C20H23N2O2SCl |
| InChI |
InChI=1S/C20H23ClN2O2S/c1-3-4-5-8-13-22-20-16-9-6-7-10-18(16)23(2)26(24,25)19-14-15(21)11-12-17(19)20/h4-7,9-12,14,20,22H,3,8,13H2,1-2H3/b5-4+ |
| InChIKey |
HUKWBHAWNSBAHD-SNAWJCMRSA-N |
| Ionization Type |
Electron Ionization (EI) |
| Molecular Weight |
390.929 g/mol |
| SMILES |
c1c2c(ccc1Cl)C(c1c(cccc1)N(S2(=O)=O)C)NCC\C=C\CC |
| SPLASH |
splash10-056r-2691000000-85f8c2d3c5f8ba0f3bb6 |
| 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_8460 |
