| SpectraBase Compound ID | LnqbedNcukI |
|---|---|
| InChI | InChI=1S/C22H31N3O2.CH4O2/c1-22(2,3)19(20(23)26)24-21(27)17-14-25(13-15-9-5-4-6-10-15)18-12-8-7-11-16(17)18;2-1-3/h7-8,11-12,14-15,19H,4-6,9-10,13H2,1-3H3,(H2,23,26)(H,24,27);2-3H,1H2 |
| InChIKey | FIGZXHOOKJOYSE-UHFFFAOYSA-N |
| Mol Weight | 417.55 g/mol |
| Molecular Formula | C23H35N3O4 |
| Exact Mass | 417.262757 g/mol |
Mass Spectrum (LC)
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| SpectraBase Spectrum ID | 7mtsUMe9WVo |
|---|---|
| Name | ADB-CHMICA-M (di-HO-) MS2 |
| Comments | F: ITMS + c ESI d w Full ms2 402.30 |
| Copyright | Copyright © 2018-2025 Wiley-VCH GmbH. All Rights Reserved. |
| Formula | C22H31N3O4 |
| 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 |