| SpectraBase Compound ID | 84eWgsRyUUR |
|---|---|
| InChI | InChI=1S/4C13H16FNO/c14-7-2-1-3-8-15-9-6-11-10-12(16)4-5-13(11)15;14-7-2-1-3-8-15-9-6-11-4-5-12(16)10-13(11)15;14-8-2-1-3-9-15-10-7-11-12(15)5-4-6-13(11)16;14-8-2-1-3-9-15-10-7-11-5-4-6-12(16)13(11)15/h2*4-6,9-10,16H,1-3,7-8H2;2*4-7,10,16H,1-3,8-9H2/p+4 |
| InChIKey | GWHHSYHLOUYOPO-UHFFFAOYSA-R |
| Mol Weight | 222.28 g/mol |
| Molecular Formula | C13H17FNO |
| Exact Mass | 222.129417 g/mol |
Mass Spectrum (LC)
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| SpectraBase Spectrum ID | 5JClSlvSssw |
|---|---|
| Name | 5-F-SDB-006-M (HO-) isomer 2 MS3_2 |
| Comments | F: ITMS + c ESI d w Full ms3 [email protected] [email protected] [50.00-235.00] |
| Copyright | Copyright © 2018-2025 Wiley-VCH GmbH. All Rights Reserved. |
| 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 |