| SpectraBase Compound ID | INwShxRjAqL |
|---|---|
| InChI | InChI=1S/C23H28N2O.CH4O2/c1-4-5-11-16-25-17-20(19-14-9-10-15-21(19)25)22(26)24-23(2,3)18-12-7-6-8-13-18;2-1-3/h6-10,12-15,17H,4-5,11,16H2,1-3H3,(H,24,26);2-3H,1H2 |
| InChIKey | KKFGIYQAQXCCHM-UHFFFAOYSA-N |
| Mol Weight | 396.53 g/mol |
| Molecular Formula | C24H32N2O3 |
| Exact Mass | 396.241293 g/mol |
Mass Spectrum (LC)
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| SpectraBase Spectrum ID | ARzKG8FxxDE |
|---|---|
| Name | Cumyl-PICA-M (di-HO-) isomer 3 MS2 |
| Comments | F: ITMS + c ESI d w Full ms2 381.30 |
| Copyright | Copyright © 2018-2025 Wiley-VCH GmbH. All Rights Reserved. |
| Formula | C23H28N2O3 |
| 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 |