| SpectraBase Compound ID | FQVMgZb1eLN |
|---|---|
| InChI | InChI=1S/4C18H26N4O3/c1-4-5-6-10-22-12-8-7-9-13(23)14(12)16(21-22)18(25)20-15(11(2)3)17(19)24;1-4-5-6-10-22-16-12(8-7-9-13(16)23)15(21-22)18(25)20-14(11(2)3)17(19)24;1-4-5-6-9-22-14-8-7-12(23)10-13(14)16(21-22)18(25)20-15(11(2)3)17(19)24;1-4-5-6-9-22-14-10-12(23)7-8-13(14)16(21-22)18(25)20-15(11(2)3)17(19)24/h7-9,11,15,23H,4-6,10H2,1-3H3,(H2,19,24)(H,20,25);7-9,11,14,23H,4-6,10H2,1-3H3,(H2,19,24)(H,20,25);2*7-8,10-11,15,23H,4-6,9H2,1-3H3,(H2,19,24)(H,20,25) |
| InChIKey | DRZRIMAMJBTEMB-UHFFFAOYSA-N |
| Mol Weight | 346.43 g/mol |
| Molecular Formula | C18H26N4O3 |
| Exact Mass | 346.200491 g/mol |
Mass Spectrum (LC)
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| SpectraBase Spectrum ID | KjJoAimGc8K |
|---|---|
| Name | AB-PINACA-M (HO-) isomer 2 MS2 |
| Comments | F: ITMS + c ESI d w Full ms2 347.30 |
| Copyright | Copyright © 2018-2025 Wiley-VCH GmbH. All Rights Reserved. |
| Formula | C18H26N4O3 |
| 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 |