| SpectraBase Compound ID | I4NGQ9oKvvM |
|---|---|
| InChI | InChI=1S/6C20H23NO2/c1-20(2)16-9-5-4-7-14(16)13(8-6-12-21-3)15-10-11-17(22)19(23)18(15)20;1-20(2)15-9-5-4-7-13(15)14(8-6-12-21-3)18-16(22)10-11-17(23)19(18)20;1-20(2)15-9-5-4-7-13(15)14(8-6-12-21-3)18-16(20)10-11-17(22)19(18)23;1-20(2)17-9-5-4-7-15(17)14(8-6-10-21-3)16-11-13(22)12-18(23)19(16)20;1-20(2)16-9-5-4-7-14(16)15(8-6-10-21-3)19-17(20)11-13(22)12-18(19)23;1-20(2)16-9-5-4-7-14(16)13(8-6-10-21-3)15-11-18(22)19(23)12-17(15)20/h3*4-5,7-11,21-23H,6,12H2,1-3H3;3*4-5,7-9,11-12,21-23H,6,10H2,1-3H3/b13-8-;3*14-8-;15-8-;13-8- |
| InChIKey | PDSVBDFIHJVZKW-KHBYAFBMSA-N |
| Mol Weight | 309.41 g/mol |
| Molecular Formula | C20H23NO2 |
| Exact Mass | 309.172879 g/mol |
Mass Spectrum (LC)
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| SpectraBase Spectrum ID | ItWQvF9x967 |
|---|---|
| Name | Melitracene-M (nor-di-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 | C20H23NO2 |
| 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 |