| SpectraBase Compound ID | 39HxKwbTXkB |
|---|---|
| InChI | InChI=1S/5C16H19F2NO2/c1-2-14(11-3-5-13(20)6-4-11)19-15(21)12-7-9-16(17,18)10-8-12;2*1-2-14(12-4-3-5-13(20)10-12)19-15(21)11-6-8-16(17,18)9-7-11;2*1-2-13(12-5-3-4-6-14(12)20)19-15(21)11-7-9-16(17,18)10-8-11/h3-6,12,14H,1-2,7-10H2,(H-,19,20,21);2*3-5,10-11,14H,1-2,6-9H2,(H-,19,20,21);2*3-6,11,13H,1-2,7-10H2,(H-,19,20,21)/p+5 |
| InChIKey | OXMUBTYOYSEMLN-UHFFFAOYSA-S |
| Mol Weight | 296.34 g/mol |
| Molecular Formula | C16H20F2NO2 |
| Exact Mass | 296.14621 g/mol |
Mass Spectrum (LC)
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| SpectraBase Spectrum ID | 8AhWfvfCGnB |
|---|---|
| Name | Maraviroc-M (HO-ring) MS3_2 |
| Comments | F: ITMS + c ESI d w Full ms3 [email protected] [email protected] [70.00-310.00] |
| 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 |