| SpectraBase Spectrum ID |
6UrrQKM4sbR |
| Name |
Torasemide-M (COOH- ring) MS3_2 |
| Comments |
F: ITMS + c ESI d w Full ms3 [email protected] [email protected] |
| Copyright |
Copyright © 2018-2025 Wiley-VCH GmbH. All Rights Reserved. |
| InChI |
InChI=1S/C12H11N3O4S/c13-20(18,19)11-10(5-2-6-14-11)15-9-4-1-3-8(7-9)12(16)17/h1-7,15H,(H,16,17)(H2,13,18,19)/p+1 |
| InChIKey |
WVWZTUXYOGUUBG-UHFFFAOYSA-O |
| Ion Polarity |
P |
| Ionization Type |
ESI |
| SMILES |
[NH3+]S(C1=C(C=CC=N1)NC1=CC(C(O)=O)=CC=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 |
ms3 |
| Technique |
ITMS |
