| SpectraBase Compound ID | GpyP32scHNm |
|---|---|
| InChI | InChI=1S/4C20H28FN3O3/c1-20(2,3)17(18(22)26)23-19(27)13-12-24(11-6-4-5-10-21)14-8-7-9-15(25)16(13)14;1-20(2,3)17(18(22)26)23-19(27)14-12-24(11-6-4-5-10-21)16-13(14)8-7-9-15(16)25;1-20(2,3)17(18(22)26)23-19(27)15-12-24(10-6-4-5-9-21)16-8-7-13(25)11-14(15)16;1-20(2,3)17(18(22)26)23-19(27)15-12-24(10-6-4-5-9-21)16-11-13(25)7-8-14(15)16/h2*7-9,12,17,25H,4-6,10-11H2,1-3H3,(H2,22,26)(H,23,27);2*7-8,11-12,17,25H,4-6,9-10H2,1-3H3,(H2,22,26)(H,23,27) |
| InChIKey | VSALFLRBCJYWQU-UHFFFAOYSA-N |
| Mol Weight | 377.46 g/mol |
| Molecular Formula | C20H28FN3O3 |
| Exact Mass | 377.21147 g/mol |
Mass Spectrum (LC)
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| SpectraBase Spectrum ID | KhZ3agv0N2q |
|---|---|
| Name | 5-F-ADBICA-M (HO-) isomer 1 MS2 |
| Comments | F: ITMS + c ESI d w Full ms2 378.10 |
| Copyright | Copyright © 2018-2025 Wiley-VCH GmbH. All Rights Reserved. |
| Formula | C20H28FN3O3 |
| 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 |