| SpectraBase Compound ID | 9JqgZCpHJpV |
|---|---|
| InChI | InChI=1S/5C20H22N2O2/c2*1-2-3-8-13-22-14-16(15-9-4-6-11-18(15)22)20(24)21-17-10-5-7-12-19(17)23;2*1-2-3-6-12-22-14-18(17-10-4-5-11-19(17)22)20(24)21-15-8-7-9-16(23)13-15;1-2-3-6-13-22-14-18(17-7-4-5-8-19(17)22)20(24)21-15-9-11-16(23)12-10-15/h2*4-7,9-12,14,23H,2-3,8,13H2,1H3,(H,21,24);2*4-5,7-11,13-14,23H,2-3,6,12H2,1H3,(H,21,24);4-5,7-12,14,23H,2-3,6,13H2,1H3,(H,21,24) |
| InChIKey | GAUOEKWPASUSMS-UHFFFAOYSA-N |
| Mol Weight | 322.41 g/mol |
| Molecular Formula | C20H22N2O2 |
| Exact Mass | 322.168128 g/mol |
Mass Spectrum (LC)
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| SpectraBase Spectrum ID | CbvFh2BSUqf |
|---|---|
| Name | SDB-006-N-phenyl analog-M (HO-) isomer 4 MS2 |
| Comments | F: ITMS + c ESI d w Full ms2 323.30 |
| Copyright | Copyright © 2018-2025 Wiley-VCH GmbH. All Rights Reserved. |
| Formula | C20H22N2O2 |
| 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 |