| SpectraBase Compound ID | DPGNpOjKsOo |
|---|---|
| InChI | InChI=1S/C23H22FN3O.CH4O2/c24-12-4-1-5-14-27-16-20(19-15-25-13-11-22(19)27)23(28)26-21-10-6-8-17-7-2-3-9-18(17)21;2-1-3/h2-3,6-11,13,15-16H,1,4-5,12,14H2,(H,26,28);2-3H,1H2 |
| InChIKey | ZJESBMLVCBIFPM-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 | 6KzUlWtV8i |
|---|---|
| Name | 5-F-PCN-M (di-HO-) isomer 1 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 |