| SpectraBase Spectrum ID |
8KE5xvL2LQ |
| Name |
Polythiazide MS3_1 |
| Comments |
T: ITMS + c ESI d w Full ms3 [email protected] [email protected] [60.00-280.00] |
| Copyright |
Copyright © 2018-2025 Wiley-VCH GmbH. All Rights Reserved. |
| InChI |
InChI=1S/C6H6ClN2O4S2/c7-3-1-4(8)5(14(10)11)2-6(3)15(9,12)13/h1-2H,8H2,(H2,9,12,13)/q+1 |
| InChIKey |
DYGXWYUBTOJFMT-UHFFFAOYSA-N |
| Ion Polarity |
P |
| Ionization Type |
ESI |
| SMILES |
NC1=C(C=C(S(N)(=O)=O)C(=C1)Cl)[S+](=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: Parent |
| Source of Spectrum |
Maurer/Wissenbach/Weber, Saarland University |
| Spectrum Type |
ms3 |
| Technique |
ITMS |
