| SpectraBase Compound ID | HFIUydz2g69 |
|---|---|
| InChI | InChI=1S/3C22H21FN4O2/c23-12-4-1-5-14-27-17-9-3-2-8-16(17)20(26-27)22(29)25-21-18(28)11-10-15-7-6-13-24-19(15)21;23-10-4-1-5-12-27-19-9-3-2-8-17(19)21(26-27)22(29)25-18-14-16(28)13-15-7-6-11-24-20(15)18;23-12-4-1-5-14-27-18-9-3-2-7-15(18)21(26-27)22(29)25-17-10-11-19(28)16-8-6-13-24-20(16)17/h2-3,6-11,13,28H,1,4-5,12,14H2,(H,25,29);2-3,6-9,11,13-14,28H,1,4-5,10,12H2,(H,25,29);2-3,6-11,13,28H,1,4-5,12,14H2,(H,25,29) |
| InChIKey | AMTMQUTWVAWBIV-UHFFFAOYSA-N |
| Mol Weight | 392.43 g/mol |
| Molecular Formula | C22H21FN4O2 |
| Exact Mass | 392.164854 g/mol |
Mass Spectrum (LC)
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| SpectraBase Spectrum ID | 166Ss3uHcRo |
|---|---|
| Name | 5-F-THJ-M (HO-) MS2 |
| Comments | F: ITMS + c ESI d w Full ms2 393.30 |
| Copyright | Copyright © 2018-2025 Wiley-VCH GmbH. All Rights Reserved. |
| Formula | C22H21FN4O2 |
| 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 |