| SpectraBase Compound ID | 5g86OvFfwz |
|---|---|
| InChI | InChI=1S/C21H29N3O3.CH4O/c1-21(2,3)18(20(26)27)22-19(25)17-15-11-7-8-12-16(15)24(23-17)13-14-9-5-4-6-10-14;1-2/h7-8,11-12,14,18H,4-6,9-10,13H2,1-3H3,(H,22,25)(H,26,27);2H,1H3 |
| InChIKey | RXVRPVRQIDNJIC-UHFFFAOYSA-N |
| Mol Weight | 403.52 g/mol |
| Molecular Formula | C22H33N3O4 |
| Exact Mass | 403.247107 g/mol |
Mass Spectrum (LC)
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| SpectraBase Spectrum ID | LagNpABucVs |
|---|---|
| Name | ADB-CHMINACA-M (HOOC-HO-) isomer 3 MS2 |
| Comments | F: ITMS + c ESI d w Full ms2 388.30 |
| Copyright | Copyright © 2018-2025 Wiley-VCH GmbH. All Rights Reserved. |
| Formula | C21H29N3O4 |
| 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 |