| SpectraBase Spectrum ID |
JfYrxDYRB97 |
| Name |
Tianeptine-M (411) MS3_1 |
| Comments |
F: ITMS + c ESI d w Full ms3 [email protected] [email protected] [65.00-290.00] |
| Copyright |
Copyright © 2018-2025 Wiley-VCH GmbH. All Rights Reserved. |
| InChI |
InChI=1S/C13H9ClNO2S/c14-11-6-5-10-7-9-3-1-2-4-12(9)15-18(16,17)13(10)8-11/h1-8,15H/q+1 |
| InChIKey |
HSJCOFQYZAJTRJ-UHFFFAOYSA-N |
| Ion Polarity |
P |
| Ionization Type |
ESI |
| SMILES |
N1S(C2=CC(=CC=C2[CH+]C2=C1C=CC=C2)Cl)(=O)=O |
| 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 |
ms3 |
| Technique |
ITMS |
