| SpectraBase Compound ID | b4AULpD98g |
|---|---|
| InChI | InChI=1S/3C21H30N4O3/c1-21(2,3)18(19(22)27)23-20(28)17-14-9-5-6-10-15(14)25(24-17)12-13-8-4-7-11-16(13)26;1-21(2,3)18(19(22)27)23-20(28)17-15-9-4-5-10-16(15)25(24-17)12-13-7-6-8-14(26)11-13;1-21(2,3)18(19(22)27)23-20(28)17-15-6-4-5-7-16(15)25(24-17)12-13-8-10-14(26)11-9-13/h5-6,9-10,13,16,18,26H,4,7-8,11-12H2,1-3H3,(H2,22,27)(H,23,28);4-5,9-10,13-14,18,26H,6-8,11-12H2,1-3H3,(H2,22,27)(H,23,28);4-7,13-14,18,26H,8-12H2,1-3H3,(H2,22,27)(H,23,28) |
| InChIKey | MJUYHGPOSIPYAA-UHFFFAOYSA-N |
| Mol Weight | 386.5 g/mol |
| Molecular Formula | C21H30N4O3 |
| Exact Mass | 386.231791 g/mol |
Mass Spectrum (LC)
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| SpectraBase Spectrum ID | I4QsCQGw1Aq |
|---|---|
| Name | MAB-CHMINACA-M (HO-) isomer 1 MS2 |
| Comments | F: ITMS + c ESI d w Full ms2 387.10 |
| Copyright | Copyright © 2018-2025 Wiley-VCH GmbH. All Rights Reserved. |
| Formula | C21H30N4O3 |
| 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 |