| SpectraBase Compound ID | CTlMCGcRqIY |
|---|---|
| InChI | InChI=1S/4C20H24F3NO2/c1-18(2)17(19(18,3)4)16(26)14-11-24(9-5-8-20(21,22)23)15-7-6-12(25)10-13(14)15;1-18(2)17(19(18,3)4)16(26)14-11-24(9-5-8-20(21,22)23)15-10-12(25)6-7-13(14)15;1-18(2)17(19(18,3)4)16(26)12-11-24(10-6-9-20(21,22)23)13-7-5-8-14(25)15(12)13;1-18(2)17(19(18,3)4)16(26)13-11-24(10-6-9-20(21,22)23)15-12(13)7-5-8-14(15)25/h2*6-7,10-11,17,25H,5,8-9H2,1-4H3;2*5,7-8,11,17,25H,6,9-10H2,1-4H3 |
| InChIKey | YWTPWHMNUNQOOW-UHFFFAOYSA-N |
| Mol Weight | 367.41 g/mol |
| Molecular Formula | C20H24F3NO2 |
| Exact Mass | 367.175914 g/mol |
Mass Spectrum (LC)
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| SpectraBase Spectrum ID | 5QJq5uWNeXd |
|---|---|
| Name | XLR-12-M (HO-) isomer 2 MS2 |
| Comments | F: ITMS + c ESI d w Full ms2 368.30 |
| Copyright | Copyright © 2018-2025 Wiley-VCH GmbH. All Rights Reserved. |
| Formula | C20H24F3NO2 |
| 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 |