| SpectraBase Compound ID | shi7mCU4mr |
|---|---|
| InChI | InChI=1S/4C20H20FN3O2/c1-20(2,3)12-22-19(26)18-16-10-15(25)8-9-17(16)24(23-18)11-13-4-6-14(21)7-5-13;1-20(2,3)12-22-19(26)18-16-9-8-15(25)10-17(16)24(23-18)11-13-4-6-14(21)7-5-13;1-20(2,3)12-22-19(26)17-15-5-4-6-16(25)18(15)24(23-17)11-13-7-9-14(21)10-8-13;1-20(2,3)12-22-19(26)18-17-15(5-4-6-16(17)25)24(23-18)11-13-7-9-14(21)10-8-13/h4-10,12H,11H2,1-3H3,(H-,22,25,26);4-10,12H,11H2,1-3H3,(H-,22,23,25,26);4-10,12H,11H2,1-3H3,(H-,22,25,26);4-10,12H,11H2,1-3H3,(H-,22,23,25,26)/p+4 |
| InChIKey | YTJBJDMQRCAIGA-UHFFFAOYSA-R |
| Mol Weight | 354.41 g/mol |
| Molecular Formula | C20H21FN3O2 |
| Exact Mass | 354.16178 g/mol |
Mass Spectrum (LC)
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| SpectraBase Spectrum ID | c6lYNTqkBi |
|---|---|
| Name | ADB-FUBINACA-M (HO-) isomer 2 MS3_1 |
| Comments | F: ITMS + c ESI d w Full ms3 [email protected] [email protected] [85.00-365.00] |
| Copyright | Copyright © 2018-2025 Wiley-VCH GmbH. All Rights Reserved. |
| Formula | C20H21FN3O2 |
| 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 |