NIST 质谱数据中心标准参考库和软件工具：在缉获毒品分析中的应用。
NIST Mass Spectrometry Data Center standard reference libraries and software tools: Application to seized drug analysis.
机构信息
Mass Spectrometry Data Center, Biomolecular Measurement Division, National Institute of Standards and Technology, Gaithersburg, Maryland, USA.
出版信息
J Forensic Sci. 2023 Sep;68(5):1484-1493. doi: 10.1111/1556-4029.15284. Epub 2023 May 18.
Abstract
The standard reference libraries and associated custom software provided by the National Institute of Standards and Technology's Mass Spectrometry Data Center (NIST MSDC) are described with a focus on assisting the seized drug analyst with the identification of fentanyl-related substances (FRS). These tools are particularly useful when encountering novel substances when no certified sample is available. The MSDC provides three standard reference mass spectral libraries, as well as six software packages for mass spectral analysis, reference library searching, data interpretation, and measurement uncertainty estimation. Each of these libraries and software packages are described with references to the original publications provided. Examples of fentanyl identification by gas chromatography-mass spectrometry (GC-MS) and by direct analysis in real-time (DART) mass spectrometry are given. A link to online tutorials is provided.
摘要
美国国家标准与技术研究院质谱数据中心 (NIST MSDC) 提供的标准参考库和相关定制软件，重点介绍了如何协助缉毒分析人员鉴定芬太尼类物质 (FRS)。当遇到新型物质且没有认证样本时，这些工具尤其有用。MSDC 提供了三个标准参考质谱库，以及六个用于质谱分析、参考库搜索、数据解释和测量不确定度估计的软件包。每个库和软件包都有相关的参考文献。文中给出了使用气相色谱-质谱法 (GC-MS) 和实时直接分析 (DART) 质谱法鉴定芬太尼的示例。提供了在线教程的链接。
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