| SpectraBase Compound ID | Hut4ldND0Ot |
|---|---|
| InChI | InChI=1S/3C20H27N3O4/c1-12(2)17(20(26)27)21-19(25)18-14-8-4-5-9-15(14)23(22-18)11-13-7-3-6-10-16(13)24;1-12(2)17(20(26)27)21-19(25)18-15-8-3-4-9-16(15)23(22-18)11-13-6-5-7-14(24)10-13;1-12(2)17(20(26)27)21-19(25)18-15-5-3-4-6-16(15)23(22-18)11-13-7-9-14(24)10-8-13/h4-5,8-9,12-13,16-17,24H,3,6-7,10-11H2,1-2H3,(H,21,25)(H,26,27);3-4,8-9,12-14,17,24H,5-7,10-11H2,1-2H3,(H,21,25)(H,26,27);3-6,12-14,17,24H,7-11H2,1-2H3,(H,21,25)(H,26,27) |
| InChIKey | ULDOKZMOJNVGEB-UHFFFAOYSA-N |
| Mol Weight | 373.45 g/mol |
| Molecular Formula | C20H27N3O4 |
| Exact Mass | 373.200156 g/mol |
Mass Spectrum (LC)
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| SpectraBase Spectrum ID | A9T65sJsvo |
|---|---|
| Name | AB-CHMINACA-M (HOOC-HO-) isomer 1 MS2 |
| Comments | F: ITMS + c ESI d w Full ms2 374.10 |
| Copyright | Copyright © 2018-2025 Wiley-VCH GmbH. All Rights Reserved. |
| Formula | C20H27N3O4 |
| 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 |