| SpectraBase Compound ID | 23MJV33uMh4 |
|---|---|
| InChI | InChI=1S/4C20H22N2O2.4CH4O/c1-2-3-7-13-22-14-16(19-17(22)11-8-12-18(19)23)20(24)21-15-9-5-4-6-10-15;1-2-3-7-13-22-14-17(16-11-8-12-18(23)19(16)22)20(24)21-15-9-5-4-6-10-15;1-2-3-7-12-22-14-18(17-13-16(23)10-11-19(17)22)20(24)21-15-8-5-4-6-9-15;1-2-3-7-12-22-14-18(17-11-10-16(23)13-19(17)22)20(24)21-15-8-5-4-6-9-15;4*1-2/h2*4-6,8-12,14,23H,2-3,7,13H2,1H3,(H,21,24);2*4-6,8-11,13-14,23H,2-3,7,12H2,1H3,(H,21,24);4*2H,1H3 |
| InChIKey | PADTUZUOAOTSLT-UHFFFAOYSA-N |
| Mol Weight | 354.45 g/mol |
| Molecular Formula | C21H26N2O3 |
| Exact Mass | 354.194343 g/mol |
Mass Spectrum (LC)
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| SpectraBase Spectrum ID | 5zPx9g5qdc |
|---|---|
| Name | SDB-006-N-phenyl analog-M (di-HO-) isomer 2 MS2 |
| Comments | F: ITMS + c ESI d w Full ms2 339.30 |
| Copyright | Copyright © 2018-2025 Wiley-VCH GmbH. All Rights Reserved. |
| Formula | C20H22N2O3 |
| 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 |