| SpectraBase Spectrum ID |
6ld6Nua2rWc |
| Name |
Thioridazine-M (S-demethyl-sulfone) MS2 |
| Comments |
F: ITMS + c ESI d w Full ms2 389.10 |
| Copyright |
Copyright © 2018-2025 Wiley-VCH GmbH. All Rights Reserved. |
| Formula |
C20H24N2O2S2 |
| InChI |
InChI=1S/C20H24N2O2S2/c1-21-12-5-4-6-15(21)11-13-22-17-7-2-3-8-19(17)26(23,24)20-10-9-16(25)14-18(20)22/h2-3,7-10,14-15,25H,4-6,11-13H2,1H3 |
| InChIKey |
PVGUBUNTNCSYQK-UHFFFAOYSA-N |
| Ion Polarity |
P |
| Ionization Type |
ESI |
| SMILES |
SC1=CC=C2C(N(C3=C(S2(=O)=O)C=CC=C3)CCC2N(CCCC2)C)=C1 |
| 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 |
