| SpectraBase Spectrum ID |
681NpzL01hB |
| Name |
Thioridazine-M (side chain sulfone) MS2 |
| Comments |
F: ITMS + c ESI d w Full ms2 403.10 |
| Copyright |
Copyright © 2018-2025 Wiley-VCH GmbH. All Rights Reserved. |
| Formula |
C21H26N2O2S2 |
| InChI |
InChI=1S/C21H26N2O2S2/c1-22-13-6-5-7-16(22)12-14-23-18-8-3-4-9-20(18)26-21-11-10-17(15-19(21)23)27(2,24)25/h3-4,8-11,15-16H,5-7,12-14H2,1-2H3 |
| InChIKey |
FLGCRGJDQJIJAW-UHFFFAOYSA-N |
| Ion Polarity |
P |
| Ionization Type |
ESI |
| SMILES |
CS(C1=CC=C2C(N(C3=C(S2)C=CC=C3)CCC2N(CCCC2)C)=C1)(=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 |
ms2 |
| Technique |
ITMS |
