| SpectraBase Compound ID | Cgba7Tk4vSZ |
|---|---|
| InChI | InChI=1S/4C19H21NO2/c1-20-11-5-9-16-14-7-2-3-8-15(14)18(22)12-13-6-4-10-17(21)19(13)16;1-20-11-5-9-13-14-6-2-3-7-16(14)19(22)12-17-15(13)8-4-10-18(17)21;1-20-10-4-7-16-15-9-8-14(21)11-13(15)12-19(22)18-6-3-2-5-17(16)18;1-20-10-4-7-16-15-5-2-3-6-17(15)19(22)11-13-8-9-14(21)12-18(13)16/h2-4,6-10,18,20-22H,5,11-12H2,1H3;2-4,6-10,19-22H,5,11-12H2,1H3;2-3,5-9,11,19-22H,4,10,12H2,1H3;2-3,5-9,12,19-22H,4,10-11H2,1H3/b16-9+;13-9+;16-7-;16-7+ |
| InChIKey | GXPDMUUPABFWHY-WYQQIYBVSA-N |
| Mol Weight | 295.38 g/mol |
| Molecular Formula | C19H21NO2 |
| Exact Mass | 295.157229 g/mol |
Mass Spectrum (LC)
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| SpectraBase Spectrum ID | Ds9HQZrva3P |
|---|---|
| Name | Amitriptyline-M (nor-di-HO-glucuronide) isomer 1 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 | C19H21NO2 |
| 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 |