| SpectraBase Spectrum ID |
JuuttwRCZAR |
| Name |
Tiapride-M (343) MS3_1 |
| Comments |
T: ITMS + c ESI d w Full ms3 [email protected] [email protected] [65.00-340.00] |
| Copyright |
Copyright © 2018-2025 Wiley-VCH GmbH. All Rights Reserved. |
| Formula |
C13H20N2O4S |
| InChI |
InChI=1S/C13H20N2O4S/c1-4-14-7-8-15-13(16)11-9-10(20(3,17)18)5-6-12(11)19-2/h5-6,9,14H,4,7-8H2,1-3H3,(H,15,16) |
| InChIKey |
ABEZHUWWYMKCCA-UHFFFAOYSA-N |
| Ion Polarity |
P |
| Ionization Type |
ESI |
| SMILES |
N(C(C=1C=C(S(C)(=O)=O)C=CC1OC)=O)CCNCC |
| 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 |
