| SpectraBase Compound ID | CJBViZwvxvC |
|---|---|
| InChI | InChI=1S/4C19H21NOS/c1-20(2)12-6-9-16-15-8-4-3-7-14(15)13-22-18-11-5-10-17(21)19(16)18;1-20(2)12-6-10-16-15-8-4-3-7-14(15)13-22-19-17(16)9-5-11-18(19)21;1-20(2)11-5-8-17-16-7-4-3-6-14(16)13-22-19-10-9-15(21)12-18(17)19;1-20(2)11-5-8-17-16-7-4-3-6-14(16)13-22-19-12-15(21)9-10-18(17)19/h2*3-5,7-11,21H,6,12-13H2,1-2H3;2*3-4,6-10,12,21H,5,11,13H2,1-2H3/b16-9-;16-10-;2*17-8- |
| InChIKey | KYECBKVSROFVSZ-SWGZLXASSA-N |
| Mol Weight | 311.44 g/mol |
| Molecular Formula | C19H21NOS |
| Exact Mass | 311.134385 g/mol |
Mass Spectrum (LC)
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| SpectraBase Spectrum ID | IcqpfcXjHRA |
|---|---|
| Name | Dosulepin-M (HO-) isomer 1 MS2 |
| Comments | F: ITMS + c ESI d w Full ms2 [email protected] [75.00-325.00] |
| Copyright | Copyright © 2018-2025 Wiley-VCH GmbH. All Rights Reserved. |
| Formula | C19H21NOS |
| 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 | ms2 |
| Technique | ITMS |