| SpectraBase Compound ID | JlfERrYXzz |
|---|---|
| InChI | InChI=1S/4C14H12F3NO2/c1-9(19)12-8-18(6-2-5-14(15,16)17)13-4-3-10(20)7-11(12)13;1-9(19)12-8-18(6-2-5-14(15,16)17)13-7-10(20)3-4-11(12)13;1-9(19)10-8-18(7-3-6-14(15,16)17)11-4-2-5-12(20)13(10)11;1-9(19)11-8-18(7-3-6-14(15,16)17)13-10(11)4-2-5-12(13)20/h2*3-4,7-8H,1-2,5-6H2;2*2,4-5,8H,1,3,6-7H2/p+4 |
| InChIKey | ZWLBPNPKGDNPLT-UHFFFAOYSA-R |
| Mol Weight | 284.26 g/mol |
| Molecular Formula | C14H13F3NO2 |
| Exact Mass | 284.089838 g/mol |
Mass Spectrum (LC)
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| SpectraBase Spectrum ID | AUUv5mTjRA |
|---|---|
| Name | XLR-12-M (HO-) isomer 2 MS3_1 |
| Comments | F: ITMS + c ESI d w Full ms3 [email protected] [email protected] [65.00-295.00] |
| Copyright | Copyright © 2018-2025 Wiley-VCH GmbH. All Rights Reserved. |
| Formula | C14H13F3NO2 |
| 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 | ms3 |
| Technique | ITMS |