| SpectraBase Spectrum ID |
876Hr2Xwjj0 |
| Name |
Torasemide-M (HO-alcohol-nor-N-acetyl-) MS2 |
| Comments |
F: ITMS + c ESI d w Full ms2 365.10 |
| Copyright |
Copyright © 2018-2025 Wiley-VCH GmbH. All Rights Reserved. |
| Formula |
C15H16N4O5S |
| InChI |
InChI=1S/C15H16N4O5S/c1-10(21)17-15(22)19-25(23,24)14-13(6-3-7-16-14)18-12-5-2-4-11(8-12)9-20/h2-8,18,20H,9H2,1H3,(H2,17,19,21,22) |
| InChIKey |
OAAGHBHMTWKGAP-UHFFFAOYSA-N |
| Ion Polarity |
P |
| Ionization Type |
ESI |
| SMILES |
N(C(=O)NC(=O)C)S(C1=C(C=CC=N1)NC=1C=CC=C(CO)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 |
ms2 |
| Technique |
ITMS |
