| SpectraBase Compound ID | 1KEegOf6w8L |
|---|---|
| InChI | InChI=1S/C21H30N4O2.CH4O2/c1-21(2,3)18(19(22)26)23-20(27)17-15-11-7-8-12-16(15)25(24-17)13-14-9-5-4-6-10-14;2-1-3/h7-8,11-12,14,18H,4-6,9-10,13H2,1-3H3,(H2,22,26)(H,23,27);2-3H,1H2 |
| InChIKey | AASJAFKBDOAYIR-UHFFFAOYSA-N |
| Mol Weight | 418.54 g/mol |
| Molecular Formula | C22H34N4O4 |
| Exact Mass | 418.258006 g/mol |
Mass Spectrum (LC)
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| SpectraBase Spectrum ID | 6pjsL9UM93J |
|---|---|
| Name | MAB-CHMINACA-M (di-HO-) isomer 1 MS2 |
| Comments | F: ITMS + c ESI d w Full ms2 403.10 |
| Copyright | Copyright © 2018-2025 Wiley-VCH GmbH. All Rights Reserved. |
| Formula | C21H30N4O4 |
| 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 |