| SpectraBase Spectrum ID |
6q1h9bbdbc |
| Name |
Torasemide-M (HO-alcohol) MS2 |
| Comments |
F: ITMS + c ESI d w Full ms2 365.10 |
| Copyright |
Copyright © 2018-2025 Wiley-VCH GmbH. All Rights Reserved. |
| Formula |
C16H20N4O4S |
| InChI |
InChI=1S/C16H20N4O4S/c1-11(2)18-16(22)20-25(23,24)15-14(7-4-8-17-15)19-13-6-3-5-12(9-13)10-21/h3-9,11,19,21H,10H2,1-2H3,(H2,18,20,22) |
| InChIKey |
RFLCEZVUKKTXGR-UHFFFAOYSA-N |
| Ion Polarity |
P |
| Ionization Type |
ESI |
| SMILES |
OCC1=CC=CC(=C1)NC1=C(S(=O)(=O)NC(NC(C)C)=O)N=CC=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 |
