| SpectraBase Compound ID | 4dzMnfqk0nT |
|---|---|
| InChI | InChI=1S/3C18H19NO2S/c1-19-11-10-17(18-7-4-12-22-18)21-16-9-8-15(20)13-5-2-3-6-14(13)16;1-19-11-10-16(17-7-4-12-22-17)21-18-14-6-3-2-5-13(14)8-9-15(18)20;1-19-9-8-16(18-7-4-10-22-18)21-17-12-14(20)11-13-5-2-3-6-15(13)17/h2-9,12,17,19-20H,10-11H2,1H3;2-9,12,16,19-20H,10-11H2,1H3;2-7,10-12,16,19-20H,8-9H2,1H3 |
| InChIKey | HOTXMFUNSIDEEG-UHFFFAOYSA-N |
| Mol Weight | 313.41 g/mol |
| Molecular Formula | C18H19NO2S |
| Exact Mass | 313.11365 g/mol |
Mass Spectrum (LC)
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| SpectraBase Spectrum ID | oeeND6mddP |
|---|---|
| Name | Duloxetine-M (HO-glucuronide) MS3_1 |
| Comments | F: ITMS + c ESI d w Full ms3 [email protected] [email protected] |
| Copyright | Copyright © 2018-2025 Wiley-VCH GmbH. All Rights Reserved. |
| Formula | C18H19NO2S |
| 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 |