| SpectraBase Spectrum ID |
AGctOCUmlou |
| Name |
Tianeptine-M (nor-) MS2 |
| Comments |
F: ITMS + c ESI d w Full ms2 423.10 |
| Copyright |
Copyright © 2018-2025 Wiley-VCH GmbH. All Rights Reserved. |
| Formula |
C20H23ClN2O4S |
| InChI |
InChI=1S/C20H23ClN2O4S/c21-14-10-11-16-18(13-14)28(26,27)23-17-8-5-4-7-15(17)20(16)22-12-6-2-1-3-9-19(24)25/h4-5,7-8,10-11,13,20,22-23H,1-3,6,9,12H2,(H,24,25) |
| InChIKey |
JIFKHQJLQGIIKQ-UHFFFAOYSA-N |
| Ion Polarity |
P |
| Ionization Type |
ESI |
| SMILES |
N1C2=C(C(C3=CC=C(C=C3S1(=O)=O)Cl)NCCCCCCC(=O)O)C=CC=C2 |
| 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 |
