| SpectraBase Compound ID | FjXi67xixKB |
|---|---|
| InChI | InChI=1S/4C14H14FNO/c1-11-10-12-13(6-5-7-14(12)17)16(11)9-4-2-3-8-15;1-11-10-12-6-5-7-13(17)14(12)16(11)9-4-2-3-8-15;1-11-9-12-10-13(17)5-6-14(12)16(11)8-4-2-3-7-15;1-11-9-12-5-6-13(17)10-14(12)16(11)8-4-2-3-7-15/h2*2,4-7H,3,8-9H2,1H3;2*2,4-6,10H,3,7-8H2,1H3/p+4/b4*4-2+ |
| InChIKey | IOKGJVLFEGHJMX-LNYWTHTESA-R |
| Mol Weight | 232.28 g/mol |
| Molecular Formula | C14H15FNO |
| Exact Mass | 232.113767 g/mol |
Mass Spectrum (LC)
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| SpectraBase Spectrum ID | HH7RwYsIwAM |
|---|---|
| Name | M-144-M (di-HO-) isomer 3 MS3_2 |
| Comments | F: ITMS + c ESI d w Full ms3 [email protected] [email protected] [50.00-245.00] |
| 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 |