| SpectraBase Compound ID | DduS9D9jbg9 |
|---|---|
| InChI | InChI=1S/4C19H23N3O3/c1-5-6-7-11-22-17-13(9-8-10-14(17)24)16(21-22)18(25)20-15(12-23)19(2,3)4;1-5-6-7-11-22-13-9-8-10-14(24)16(13)17(21-22)18(25)20-15(12-23)19(2,3)4;1-5-6-7-10-22-15-9-8-13(24)11-14(15)17(21-22)18(25)20-16(12-23)19(2,3)4;1-5-6-7-10-22-15-11-13(24)8-9-14(15)17(21-22)18(25)20-16(12-23)19(2,3)4/h6-10,15H,5,11H2,1-4H3,(H-,20,24,25);6-10,15H,5,11H2,1-4H3,(H-,20,21,24,25);6-9,11,16H,5,10H2,1-4H3,(H-,20,24,25);6-9,11,16H,5,10H2,1-4H3,(H-,20,21,24,25)/p+4/b4*7-6+ |
| InChIKey | PCGVBTGAFCJYQD-TUINGRDOSA-R |
| Mol Weight | 342.42 g/mol |
| Molecular Formula | C19H24N3O3 |
| Exact Mass | 342.181767 g/mol |
Mass Spectrum (LC)
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| SpectraBase Spectrum ID | Ar435nAN5fi |
|---|---|
| Name | ADB-PINACA-M (di-HO-) isomer 3 MS3_1 |
| Comments | T: ITMS + c ESI d w Full ms3 [email protected] [email protected] [80.00-355.00] |
| Copyright | Copyright © 2018-2025 Wiley-VCH GmbH. All Rights Reserved. |
| Formula | C19H24N3O3 |
| 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 |