| SpectraBase Compound ID | IF02KWGBF3g |
|---|---|
| InChI | InChI=1S/4C21H23FN2O2/c22-12-5-2-6-13-24-15-17(20-18(24)10-7-11-19(20)25)21(26)23-14-16-8-3-1-4-9-16;22-12-5-2-6-13-24-15-18(17-10-7-11-19(25)20(17)24)21(26)23-14-16-8-3-1-4-9-16;22-11-5-2-6-12-24-15-19(18-13-17(25)9-10-20(18)24)21(26)23-14-16-7-3-1-4-8-16;22-11-5-2-6-12-24-15-19(18-10-9-17(25)13-20(18)24)21(26)23-14-16-7-3-1-4-8-16/h2*1,3-4,7-11,15,25H,2,5-6,12-14H2,(H,23,26);2*1,3-4,7-10,13,15,25H,2,5-6,11-12,14H2,(H,23,26) |
| InChIKey | ZDKQPYMSQMKXNX-UHFFFAOYSA-N |
| Mol Weight | 354.43 g/mol |
| Molecular Formula | C21H23FN2O2 |
| Exact Mass | 354.174356 g/mol |
Mass Spectrum (LC)
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| SpectraBase Spectrum ID | 6zKfqg9DJQ |
|---|---|
| Name | 5-F-SDB-006-M (HO-) isomer 2 MS2 |
| Comments | F: ITMS + c ESI d w Full ms2 355.30 |
| Copyright | Copyright © 2018-2025 Wiley-VCH GmbH. All Rights Reserved. |
| Formula | C21H23FN2O2 |
| 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 |