| SpectraBase Compound ID | HM0gdIiFIrj |
|---|---|
| InChI | InChI=1S/3C20H27N3O2/c1-20(2,3)13-21-19(25)18-15-9-5-6-10-16(15)23(22-18)12-14-8-4-7-11-17(14)24;1-20(2,3)13-21-19(25)18-16-9-4-5-10-17(16)23(22-18)12-14-7-6-8-15(24)11-14;1-20(2,3)13-21-19(25)18-16-6-4-5-7-17(16)23(22-18)12-14-8-10-15(24)11-9-14/h5-6,9-10,13-14,17,24H,4,7-8,11-12H2,1-3H3;4-5,9-10,13-15,24H,6-8,11-12H2,1-3H3;4-7,13-15,24H,8-12H2,1-3H3/p+3/b3*21-13+ |
| InChIKey | YIIDEPYUCASCQG-QWPIUPBRSA-Q |
| Mol Weight | 342.46 g/mol |
| Molecular Formula | C20H28N3O2 |
| Exact Mass | 342.218152 g/mol |
Mass Spectrum (LC)
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| SpectraBase Spectrum ID | K0GgLlonHUZ |
|---|---|
| Name | ADB-CHMINACA-M (HOOC-HO-) isomer 2 MS3_1 |
| Comments | F: ITMS + c ESI d w Full ms3 [email protected] [email protected] [80.00-355.00] |
| Copyright | Copyright © 2018-2025 Wiley-VCH GmbH. All Rights Reserved. |
| Formula | C20H28N3O2 |
| 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 |