| SpectraBase Compound ID | 18A3wLw6hEy |
|---|---|
| InChI | InChI=1S/5C23H28N2O2.5CH4O/c2*1-4-5-10-15-25-16-18(17-11-6-8-13-20(17)25)22(27)24-23(2,3)19-12-7-9-14-21(19)26;2*1-4-5-8-14-25-16-20(19-12-6-7-13-21(19)25)22(27)24-23(2,3)17-10-9-11-18(26)15-17;1-4-5-8-15-25-16-20(19-9-6-7-10-21(19)25)22(27)24-23(2,3)17-11-13-18(26)14-12-17;5*1-2/h2*6-9,11-14,16,26H,4-5,10,15H2,1-3H3,(H,24,27);2*6-7,9-13,15-16,26H,4-5,8,14H2,1-3H3,(H,24,27);6-7,9-14,16,26H,4-5,8,15H2,1-3H3,(H,24,27);5*2H,1H3 |
| InChIKey | NIMGYIQKDNGXGP-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 | 5ZKOUz2PVTk |
|---|---|
| Name | Cumyl-PICA-M (di-HO-) isomer 1 MS2 |
| Comments | F: ITMS + c ESI d w Full ms2 381.10 |
| 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 |