In the battle against the illicit drugs market, methodologies have been developed by forensic laboratories to address the determination of the origin and dismantlement of the trafficking route for various target molecules such as heroin and cocaine. These drug profiling methods are not straightforward, especially when the target molecules are synthetic and very pure, resulting in poorly informative impurity profiles, e.g. new psychoactive substances and cutting agents. A tool based on the determination of intramolecular isotopic profiles has been developed to provide origin discrimination with a new way to profile seized cutting agents and heroin samples. Whereas stable isotope analyses by mass spectrometry give the bulk isotopic composition, nuclear magnetic resonance gives direct access to the position‐specific isotope content at natural abundance. This report shows how both ¹³C NMR spectrometry and ¹³C, ¹⁵N MS might provide complementary and valuable information to link seized caffeine and paracetamol to their origin. Here, isotopic ratio monitoring by ¹³C NMR (irm‐¹³C NMR) offers additional benefits over irm‐MS in its capability to determine a detailed isotopic profile, leading to a better method to distinguish different caffeine and paracetamol batches.

中文翻译：

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通过13 C核磁共振波谱法对海洛因中的切削剂进行同位素比监测的同位素药物：阐明非法药物贩运路线的新方法。

在打击非法药物市场的斗争中，法医实验室已经开发出方法，以解决各种目标分子（例如海洛因和可卡因）的贩运路线的起源和拆除问题。这些药物谱图方法并不简单，尤其是当目标分子是合成的且纯度很高时，会导致信息不足的杂质分布，例如新的精神活性物质和切削剂。已经开发了一种基于分子内同位素分布测定的工具，以提供一种新的途径来对缉获的切割剂和海洛因样品进行分布来提供来源鉴别。质谱分析稳定的同位素可得出大部分的同位素组成，核磁共振可以直接获取自然丰度下特定位置的同位素含量。该报告显示了两者¹³ C NMR光谱和¹³ C，¹⁵ N MS可能会提供补充和有价值的信息，以将缉获的咖啡因和扑热息痛与其来源联系起来。在这里，通过¹³ C NMR（irm- ¹³ C NMR）监测同位素比率比irm-MS具有更多的优势，因为它可以确定详细的同位素分布，从而提供了更好的方法来区分不同的咖啡因和对乙酰氨基酚批次。