| SpectraBase Compound ID | 5UyWfQaX81l |
|---|---|
| InChI | InChI=1S/3C22H31N3O4/c1-22(2,3)19(21(28)29-4)23-20(27)18-15-10-6-7-11-16(15)25(24-18)13-14-9-5-8-12-17(14)26;1-22(2,3)19(21(28)29-4)23-20(27)18-16-10-5-6-11-17(16)25(24-18)13-14-8-7-9-15(26)12-14;1-22(2,3)19(21(28)29-4)23-20(27)18-16-7-5-6-8-17(16)25(24-18)13-14-9-11-15(26)12-10-14/h6-7,10-11,14,17,19,26H,5,8-9,12-13H2,1-4H3,(H,23,27);5-6,10-11,14-15,19,26H,7-9,12-13H2,1-4H3,(H,23,27);5-8,14-15,19,26H,9-13H2,1-4H3,(H,23,27) |
| InChIKey | ULXWHSRVDIHQOZ-UHFFFAOYSA-N |
| Mol Weight | 401.51 g/mol |
| Molecular Formula | C22H31N3O4 |
| Exact Mass | 401.231456 g/mol |
Mass Spectrum (LC)
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| SpectraBase Spectrum ID | HJJrvx0wE8V |
|---|---|
| Name | MDMB-CHMINACA-M (HO-) isomer 2 MS2 |
| Comments | F: ITMS + c ESI d w Full ms2 402.30 |
| Copyright | Copyright © 2018-2025 Wiley-VCH GmbH. All Rights Reserved. |
| Formula | C22H31N3O4 |
| 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 |