| SpectraBase Compound ID | 1KzuCpQCvxo |
|---|---|
| InChI | InChI=1S/4C23H26FN3O3/c24-12-5-2-6-13-27-15-17(21-19(27)10-7-11-20(21)28)23(30)26-18(22(25)29)14-16-8-3-1-4-9-16;24-12-5-2-6-13-27-15-18(17-10-7-11-20(28)21(17)27)23(30)26-19(22(25)29)14-16-8-3-1-4-9-16;24-11-5-2-6-12-27-15-19(18-14-17(28)9-10-21(18)27)23(30)26-20(22(25)29)13-16-7-3-1-4-8-16;24-11-5-2-6-12-27-15-19(18-10-9-17(28)14-21(18)27)23(30)26-20(22(25)29)13-16-7-3-1-4-8-16/h1,3-4,7-11,15,18,28H,2,5-6,12-14H2,(H2,25,29)(H,26,30);1,3-4,7-11,15,19,28H,2,5-6,12-14H2,(H2,25,29)(H,26,30);2*1,3-4,7-10,14-15,20,28H,2,5-6,11-13H2,(H2,25,29)(H,26,30) |
| InChIKey | DYLITKFDBXUSAB-UHFFFAOYSA-N |
| Mol Weight | 411.48 g/mol |
| Molecular Formula | C23H26FN3O3 |
| Exact Mass | 411.19582 g/mol |
Mass Spectrum (LC)
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| SpectraBase Spectrum ID | 15l6GCaesgI |
|---|---|
| Name | PX-1-M (HO-) isomer 1 MS2 |
| Comments | F: ITMS + c ESI d w Full ms2 412.10 |
| Copyright | Copyright © 2018-2025 Wiley-VCH GmbH. All Rights Reserved. |
| Formula | C23H26FN3O3 |
| 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 |