| SpectraBase Compound ID | AOLgTjUHXNQ |
|---|---|
| InChI | InChI=1S/4C23H28N2O2.4CH4O/c1-4-5-9-15-25-16-18(21-19(25)13-10-14-20(21)26)22(27)24-23(2,3)17-11-7-6-8-12-17;1-4-5-9-15-25-16-19(18-13-10-14-20(26)21(18)25)22(27)24-23(2,3)17-11-7-6-8-12-17;1-4-5-9-14-25-16-20(19-15-18(26)12-13-21(19)25)22(27)24-23(2,3)17-10-7-6-8-11-17;1-4-5-9-14-25-16-20(19-13-12-18(26)15-21(19)25)22(27)24-23(2,3)17-10-7-6-8-11-17;4*1-2/h2*6-8,10-14,16,26H,4-5,9,15H2,1-3H3,(H,24,27);2*6-8,10-13,15-16,26H,4-5,9,14H2,1-3H3,(H,24,27);4*2H,1H3 |
| InChIKey | MVWQFAPVHHXILK-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 | 3NU9prRucaw |
|---|---|
| Name | Cumyl-PICA-M (di-HO-) isomer 2 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 |