| SpectraBase Compound ID | 8xcVyhcDCLk |
|---|---|
| InChI | InChI=1S/4C19H26FN3O3/c1-12(2)17(18(21)25)22-19(26)13-11-23(10-5-3-4-9-20)14-7-6-8-15(24)16(13)14;1-12(2)16(18(21)25)22-19(26)14-11-23(10-5-3-4-9-20)17-13(14)7-6-8-15(17)24;1-12(2)17(18(21)25)22-19(26)15-11-23(9-5-3-4-8-20)16-7-6-13(24)10-14(15)16;1-12(2)17(18(21)25)22-19(26)15-11-23(9-5-3-4-8-20)16-10-13(24)6-7-14(15)16/h6-8,11-12,17,24H,3-5,9-10H2,1-2H3,(H2,21,25)(H,22,26);6-8,11-12,16,24H,3-5,9-10H2,1-2H3,(H2,21,25)(H,22,26);2*6-7,10-12,17,24H,3-5,8-9H2,1-2H3,(H2,21,25)(H,22,26) |
| InChIKey | RWHWHTKMXBCVCV-UHFFFAOYSA-N |
| Mol Weight | 363.43 g/mol |
| Molecular Formula | C19H26FN3O3 |
| Exact Mass | 363.19582 g/mol |
Mass Spectrum (LC)
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| SpectraBase Spectrum ID | Lo2VMMjDWYC |
|---|---|
| Name | 5-F-AB-PICA-M (HO-) isomer 1 MS2 |
| Comments | F: ITMS + c ESI d w Full ms2 364.30 |
| Copyright | Copyright © 2018-2025 Wiley-VCH GmbH. All Rights Reserved. |
| Formula | C19H26FN3O3 |
| 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 |