| SpectraBase Spectrum ID |
F87HnAOhXZX |
| Name |
Tiapride-M (deethyl-) MS3_1 |
| Comments |
T: ITMS + c ESI d w Full ms3 [email protected] [email protected] |
| Copyright |
Copyright © 2018-2025 Wiley-VCH GmbH. All Rights Reserved. |
| InChI |
InChI=1S/C11H13NO4S/c1-4-12-11(13)9-7-8(17(3,14)15)5-6-10(9)16-2/h5-7H,1,4H2,2-3H3/p+1 |
| InChIKey |
PWYIHUBIXJPNLE-UHFFFAOYSA-O |
| Ion Polarity |
P |
| Ionization Type |
ESI |
| SMILES |
N(C[CH2+])C(C1=C(OC)C=CC(=C1)S(C)(=O)=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 |
