| SpectraBase Compound ID | 1eMYCCVMOyO |
|---|---|
| InChI | InChI=1S/4C21H25NO/c1-21(2)17-11-6-5-9-15(17)16(10-8-14-22(3)4)20-18(21)12-7-13-19(20)23;1-21(2)18-12-6-5-9-16(18)15(11-8-14-22(3)4)17-10-7-13-19(23)20(17)21;1-21(2)19-10-6-5-8-17(19)16(9-7-13-22(3)4)18-14-15(23)11-12-20(18)21;1-21(2)19-10-6-5-8-17(19)16(9-7-13-22(3)4)18-12-11-15(23)14-20(18)21/h2*5-7,9-13,23H,8,14H2,1-4H3;2*5-6,8-12,14,23H,7,13H2,1-4H3/b16-10-;15-11-;2*16-9- |
| InChIKey | GVVYRPWHHGOWGY-RVMMBDEBSA-N |
| Mol Weight | 307.44 g/mol |
| Molecular Formula | C21H25NO |
| Exact Mass | 307.193614 g/mol |
Mass Spectrum (LC)
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| SpectraBase Spectrum ID | JWySW2dRpn3 |
|---|---|
| Name | Melitracene-M (HO-glucuronide) isomer 2 MS3_1 |
| Comments | F: ITMS + c ESI d w Full ms3 [email protected] [email protected] [60.00-275.00] |
| Copyright | Copyright © 2018-2025 Wiley-VCH GmbH. All Rights Reserved. |
| Formula | C21H25NO |
| 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 |