| SpectraBase Compound ID | 3dWPReHLWKx |
|---|---|
| InChI | InChI=1S/3C23H22FN3O2.3CH4O/c24-12-4-1-5-14-27-15-18(21-20(27)11-13-25-23(21)29)22(28)26-19-10-6-8-16-7-2-3-9-17(16)19;24-11-4-1-5-12-27-15-19(18-14-25-22(28)13-21(18)27)23(29)26-20-10-6-8-16-7-2-3-9-17(16)20;24-11-4-1-5-12-27-15-19(18-13-25-14-21(28)22(18)27)23(29)26-20-10-6-8-16-7-2-3-9-17(16)20;3*1-2/h2-3,6-11,13,15H,1,4-5,12,14H2,(H,25,29)(H,26,28);2-3,6-10,13-15H,1,4-5,11-12H2,(H,25,28)(H,26,29);2-3,6-10,13-15,28H,1,4-5,11-12H2,(H,26,29);3*2H,1H3 |
| InChIKey | SCKUIBWPOVMSIJ-UHFFFAOYSA-N |
| Mol Weight | 423.49 g/mol |
| Molecular Formula | C24H26FN3O3 |
| Exact Mass | 423.19582 g/mol |
Mass Spectrum (LC)
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| SpectraBase Spectrum ID | 84zNiMm8uzV |
|---|---|
| Name | 5-F-PCN-M (di-HO-) isomer 2 MS2 |
| Comments | F: ITMS + c ESI d w Full ms2 408.30 |
| Copyright | Copyright © 2018-2025 Wiley-VCH GmbH. All Rights Reserved. |
| Formula | C23H22FN3O3 |
| 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 |