Using Orthogonal Methods for Rapid Narcotics Analysis

The detection of illegal drugs is a constant battle for law enforcement authorities worldwide. Key challenges in narcotics analysis include unambiguous identification and proper quantification of suspicious substances. Data generated must also be robust enough for submission in legal proceedings.

There are two major classes of substances: known, classic illicit drugs like cocaine – which are still common - and newly emerging substances - which are designed to mimic classic drugs, but also to avoid the detection through a changed chemical structure. These derivatives are known as New Psychoactive Substances (NPS). These substances cannot be easily identified using traditional methods, and because these NPS are uncontrolled and rapidly changing, standard library-based methods are often unsuitable.

新物质的这种不断出现导致我的2017年NPS数据中心的诞生 - 当前有大约440位用户的执法机构的同行，非商业，分析数据共享平台。它由美国国家标准和技术研究所在美国，德国联邦刑事警察局以及美国的毒品执法局运营。

NPS分析的正交方法

Bruker offers the widest range of analytical techniques for forensic applications. This globally unique solution offering makes Bruker the only one-stop-shop for orthogonal methods applied in the forensic world. Nuclear magnetic resonance (NMR) and mass spectrometry (MS) are two commonly used, established methods for narcotics analysis. These methods operate on fundamentally different scientific principles, thus providing definitive identification.

这两种技术均以免费的方式广泛使用，探索一个分析任务的不同方面。另一种方法是使用正交方法 - 两种基于根本不同的工作原理运行的技术，用于探索问题的相同方面。
MS和NMR等正交方法的识别和定量显着降低了假阳性或假阴性结果。通过正交方法获取的数据足以适应法律程序，因此大多数国家 /地区的立法需要应用正交方法。

Toxtyper MS Analysis

Bruker可以提供这种强大的NPS表征方法所需的所有设备。Toxtyper是一种用户友好的，即用的LC-MSN解决方案，专为药物和毒理学筛查而设计，能够在11分钟内完成单个分析。TOXTYPER以数据依赖性的MSN模式运行，而无需极性切换。使用光谱库匹配使用开放库来识别化合物，这些库可以由用户添加到。Toxtyper提供了半定量结果，包括使用在线SPE进行自动样品制备的选项。

该软件能够使用各种样本和图书馆类型；例如CIF材料，SAP库（同一运bob综合游戏行中允许同时进行筛选和半定量）以及复杂的轮廓，例如合成大麻素和筛选物质完全未知的筛选，利用外部数据库，例如Chemspider，CABI或CAPCOM，例如MaxTrac等工具，以实现诸如MAXCOM之类的工具这个。报告可以作为PDF生成，并通过电子邮件发送。

傅立叶80台式NMR和傅立叶Crimelab

NMR is suitable for a wide range of applications including forensic identification and quantification of suspicious substances, analysis of food adulteration, chemical warfare agents and explosives analysis, and solid waste analysis. Bruker serves over 40 forensic authorities worldwide with more than 80 floor-standing NMR systems running.

Bruker’s Benchtop NMR system was introduced to the European market in 2019, using over 60 years’ experience to reimagine NMR into a compact, cross decision format and making this key technology accessible to a broader range of laboratories.

使用台式系统，不需要新的基础架构 - NMR系统可以安装在通风罩中或台式上。由于实施无低温的永久磁铁设计，傅立叶80还提供了最佳的所有权。

Fourier Crimelab是Bruker最新的Fourier 80台式NMR系统的法医版本，并结合专门为法医应用而设计的专用软件工具和工作流程；允许用户在对Topspin Pulse程序库中完全访问，并协调跨高和低场NMR系统的方法。

兼容性很重要，因为法医实验室通常共同努力创建新的工作流并在这些新方法上互相培训，尤其是在使用标准库中可能无法使用的NP时。

典型的NMR工作流程

NMR is known for its role in structure elucidation, structure verification, identification and quantification of known or unknown substances even in an un-targeted approach. NPS are often highly similar to known molecules, but with some slight changes. These differences are often visible within NMR spectra, and employing an orthogonal approach involving mass spectrometry can facilitate a robust differentiation.

Any NMR workflow starts with sample preparation which simply involves adding 2ml of a non-toxic solvent like water to tens of mg of sample.

Using TopSpin on benchtop and existing floor-standing systems makes method transfer from existing (inter-)national workflows simple. Data processing included in a GoScan workflow can also be performed using the pre-defined, customizable routines available on Fourier CrimeLab.

Identification of a suspicious substance involves matching the generated spectrum against an in-house database, a non-commercial cross-authority database like the NPS-Datahub, or a combination of these two approaches.

Quantification of any compound within a mixture does not require any compound-specific reference substance, making NMR ideal for such a task; especially when considering the prolific emergence of new NPS.

在检测之前，不需要分开的组件，加快整个过程，并将从样本制备到可视化的时间缩短到几分钟。

Conclusion

The emergence of NPS is an ongoing issue for authorities worldwide, and accurate identification and quantification NPS requires an approach robust enough to be used in court cases. Orthogonal methods offer an ideal solution, with two fundamentally different techniques being used to investigate the same substance, reducing false positive and false negative results.

与Bruker的傅立叶80 NMR系统和NMR分析一起利用Bruker的Toxtyper解决方案进行MS分析，为NP的识别和量化提供了强大，可靠的解决方案。