| SpectraBase Compound ID | 1U1c6h5uJXW |
|---|---|
| InChI | InChI=1S/C20H29N3O2.CH4O2/c1-5-6-9-12-23-13-15(14-10-7-8-11-16(14)23)19(25)22-17(18(21)24)20(2,3)4;2-1-3/h7-8,10-11,13,17H,5-6,9,12H2,1-4H3,(H2,21,24)(H,22,25);2-3H,1H2 |
| InChIKey | VGVWLBRRBSUQJF-UHFFFAOYSA-N |
| Mol Weight | 391.51 g/mol |
| Molecular Formula | C21H33N3O4 |
| Exact Mass | 391.247107 g/mol |
Mass Spectrum (LC)
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| SpectraBase Spectrum ID | bwGox9h74y |
|---|---|
| Name | ADBICA-M (di-HO-) isomer 2 MS2 |
| Comments | F: ITMS + c ESI d w Full ms2 376.30 |
| Copyright | Copyright © 2018-2025 Wiley-VCH GmbH. All Rights Reserved. |
| Formula | C20H29N3O4 |
| 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 |