| SpectraBase Compound ID | 8oFvds0tPxM |
|---|---|
| InChI | InChI=1S/C16H19NO2.C8H9N.CH4O2/c18-16(19)14-11-17(10-12-6-2-1-3-7-12)15-9-5-4-8-13(14)15;1-2-4-8-5-3-6-9-7-8;2-1-3/h4-5,8-9,11-12H,1-3,6-7,10H2,(H,18,19);2-6H,1,7H2;2-3H,1H2/b;8-4-; |
| InChIKey | AKJGBESWXCAJAU-DDUQGMKCSA-N |
| Mol Weight | 424.54 g/mol |
| Molecular Formula | C25H32N2O4 |
| Exact Mass | 424.236208 g/mol |
Mass Spectrum (LC)
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| SpectraBase Spectrum ID | 4U0j6hgT6AA |
|---|---|
| Name | BB-22-M (di-HO-) isomer 1 MS2 |
| Comments | F: ITMS + c ESI d w Full ms2 417.30 |
| Copyright | Copyright © 2018-2025 Wiley-VCH GmbH. All Rights Reserved. |
| Formula | C25H24N2O4 |
| 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 |