| SpectraBase Compound ID | KkJQTwVScFT |
|---|---|
| InChI | InChI=1S/9C14H17N3O3S/c1-8-4-10(3)13(18)11(5-8)17-12-6-9(2)7-16-14(12)21(15,19)20;1-8-4-6-11(13(18)10(8)3)17-12-7-5-9(2)16-14(12)21(15,19)20;1-8-6-9(2)13(18)12(7-8)17-11-5-4-10(3)16-14(11)21(15,19)20;1-8-6-12(14(16-7-8)21(15,19)20)17-11-5-4-9(2)10(3)13(11)18;1-8-6-10(3)13(18)11(7-8)17-12-9(2)4-5-16-14(12)21(15,19)20;1-8-6-11(14(16-7-8)21(15,19)20)17-12-9(2)4-5-10(3)13(12)18;1-8-4-5-11(13(18)10(8)3)17-12-9(2)6-7-16-14(12)21(15,19)20;1-8-4-5-10(3)13(18)11(8)17-12-9(2)6-7-16-14(12)21(15,19)20;1-8-4-5-9(2)13(18)12(8)17-11-7-6-10(3)16-14(11)21(15,19)20/h9*4-7,17-18H,1-3H3,(H2,15,19,20) |
| InChIKey | BFWYRSJCSCEVFM-UHFFFAOYSA-N |
| Mol Weight | 307.37 g/mol |
| Molecular Formula | C14H17N3O3S |
| Exact Mass | 307.099063 g/mol |
Mass Spectrum (LC)
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| SpectraBase Spectrum ID | 2ZusCdSokoW |
|---|---|
| Name | Torasemide-M (HO-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. |
| Ion Polarity | P |
| Ionization Type | ESI |
| 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 |