| SpectraBase Spectrum ID |
94EQiKIUv82 |
| Name |
Tianeptine-M (nor-MC5) MS2 |
| Comments |
F: ITMS + c ESI d w Full ms2 395.10 |
| Copyright |
Copyright © 2018-2025 Wiley-VCH GmbH. All Rights Reserved. |
| Formula |
C18H19ClN2O4S |
| InChI |
InChI=1S/C18H19ClN2O4S/c19-12-8-9-14-16(11-12)26(24,25)21-15-6-2-1-5-13(15)18(14)20-10-4-3-7-17(22)23/h1-2,5-6,8-9,11,18,20-21H,3-4,7,10H2,(H,22,23) |
| InChIKey |
CMEYENXCOCXMMS-UHFFFAOYSA-N |
| Ion Polarity |
P |
| Ionization Type |
ESI |
| SMILES |
N1C2=C(C(C3=CC=C(C=C3S1(=O)=O)Cl)NCCCCC(=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 |
