| SpectraBase Compound ID | 3LkWBoZXWuS |
|---|---|
| InChI | InChI=1S/6C21H25NO2/c1-21(2)17-10-6-5-8-15(17)14(9-7-13-22(3)4)16-11-12-18(23)20(24)19(16)21;1-21(2)16-10-6-5-8-14(16)15(9-7-13-22(3)4)19-17(23)11-12-18(24)20(19)21;1-21(2)16-10-6-5-8-14(16)15(9-7-13-22(3)4)19-17(21)11-12-18(23)20(19)24;1-21(2)18-10-6-5-8-16(18)15(9-7-11-22(3)4)17-12-14(23)13-19(24)20(17)21;1-21(2)17-10-6-5-8-15(17)16(9-7-11-22(3)4)20-18(21)12-14(23)13-19(20)24;1-21(2)17-10-6-5-8-15(17)14(9-7-11-22(3)4)16-12-19(23)20(24)13-18(16)21/h3*5-6,8-12,23-24H,7,13H2,1-4H3;3*5-6,8-10,12-13,23-24H,7,11H2,1-4H3/b14-9-;3*15-9-;16-9-;14-9- |
| InChIKey | XQFVAXOZBZFAAH-QIONRIIQSA-N |
| Mol Weight | 323.44 g/mol |
| Molecular Formula | C21H25NO2 |
| Exact Mass | 323.188529 g/mol |
Mass Spectrum (LC)
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| SpectraBase Spectrum ID | D8k3ZAWIsjc |
|---|---|
| Name | Melitracene-M (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 | C21H25NO2 |
| 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 |