Hamby Danielle, Burnett Annessa, Jablonsky Michael, Twamley Brendan, Kavanagh Pierce V, Gardner Elizabeth A
Department of Justice Sciences, University of Alabama at Birmingham, 1201 University Blvd., Birmingham, AL.
J Forensic Sci. 2015 May;60(3):721-6. doi: 10.1111/1556-4029.12712. Epub 2015 Feb 27.
Online vendors are offering a new legal high, 4-methylpentedrone (4-MPD). Information for potential users provided by internet vendors of 4-MPD includes incorrect structures and nonexistent CAS numbers. A sample of 4-MPD was obtained and analyzed using GC-MS, NMR, and LC-EIS. The fragmentation data from the GC-MS and LC-EIS produced an M-1 ion that suggested the molecular mass was 219 amu, rather than 205 amu as calculated for 4-methylpentedrone. The difference in molecular mass corresponded to the addition of a methyl group. Based on the mass and fragmentation pattern, two standards were synthesized, 2-(ethylamino)-1-(4-methylphenyl)-1-pentanone and 1-(4-methylphenyl)-2-(propylamino)-1-butanone. The synthesis involved bromination of the appropriate ketone followed by the reaction with ethylamine or propylamine. Based on the NMR data and unique fragmentation patterns produced by these molecules, the sample was identified as 2-(ethylamino)-1-(4-methylphenyl)-1-pentanone, not 4-methylpentedrone.
在线供应商正在售卖一种新型合法兴奋剂——4-甲基戊二酮(4-MPD)。4-MPD的网络供应商向潜在用户提供的信息包含错误的结构和不存在的化学物质登记号。获取了一份4-MPD样本,并使用气相色谱-质谱联用仪(GC-MS)、核磁共振仪(NMR)和液相色谱-电喷雾电离源(LC-EIS)进行分析。气相色谱-质谱联用仪和液相色谱-电喷雾电离源的碎片数据产生了一个M-1离子,这表明其分子量为219原子质量单位,而非4-甲基戊二酮计算得出的205原子质量单位。分子量的差异对应于一个甲基的添加。基于质量和碎片模式,合成了两种标准品,即2-(乙氨基)-1-(4-甲基苯基)-1-戊酮和1-(4-甲基苯基)-2-(丙氨基)-1-丁酮。合成过程包括对适当的酮进行溴化,然后与乙胺或丙胺反应。根据这些分子产生的核磁共振数据和独特的碎片模式,该样本被鉴定为2-(乙氨基)-1-(4-甲基苯基)-1-戊酮,而非4-甲基戊二酮。