| SpectraBase Compound ID | LOTedPU9uBW |
|---|---|
| InChI | InChI=1S/4C21H25N3O3/c1-21(2,3)17(13-25)22-20(27)18-15-10-7-11-16(26)19(15)24(23-18)12-14-8-5-4-6-9-14;1-21(2,3)17(13-25)22-20(27)19-18-15(10-7-11-16(18)26)24(23-19)12-14-8-5-4-6-9-14;1-21(2,3)18(13-25)22-20(27)19-16-11-15(26)9-10-17(16)24(23-19)12-14-7-5-4-6-8-14;1-21(2,3)18(13-25)22-20(27)19-16-10-9-15(26)11-17(16)24(23-19)12-14-7-5-4-6-8-14/h4-5,7,10-11,14,17H,6,8-9,12H2,1-3H3,(H-,22,26,27);4-5,7,10-11,14,17H,6,8-9,12H2,1-3H3,(H-,22,23,26,27);4-5,9-11,14,18H,6-8,12H2,1-3H3,(H-,22,26,27);4-5,9-11,14,18H,6-8,12H2,1-3H3,(H-,22,23,26,27)/p+4 |
| InChIKey | KYIPJGSWFKXGAC-UHFFFAOYSA-R |
| Mol Weight | 368.46 g/mol |
| Molecular Formula | C21H26N3O3 |
| Exact Mass | 368.197417 g/mol |
Mass Spectrum (LC)
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| SpectraBase Spectrum ID | 3EapL1OqlVe |
|---|---|
| Name | ADB-CHMINACA-M (di-HO-) isomer 3 MS3_1 |
| Comments | F: ITMS + c ESI d w Full ms3 [email protected] [email protected] [85.00-380.00] |
| Copyright | Copyright © 2018-2025 Wiley-VCH GmbH. All Rights Reserved. |
| Formula | C21H26N3O3 |
| 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 | ms3 |
| Technique | ITMS |