识别可靠的离子,以统计区分结构相似的芬太尼类似物
Andrew M Sacha1, Isaac C Willis2, Victoria L McGuffin2
1Forensic Science Program, School of Criminal Justice, Michigan State University, East Lansing, Michigan, USA.
Journal of forensic sciences
|June 13, 2023
概括
一种新的统计方法使用电子电离质谱学准确区分芬太尼的类似物,如瓦莱瑞尔芬太尼. 这种方法确定了主要的光谱差异,有助于确定这些结构相似的化合物.
科学领域:
- 法医化学 法医化学
- 分析化学 分析化学
- 质谱测量质量谱测量
背景情况:
- 鉴定芬太尼的类似物是很困难的,因为结构和光谱的高度相似.
- 电子电离 (EI) 质谱法是用于化合物识别的常见技术.
- 需要客观的方法来区分密切相关的芬太尼异构体.
研究的目的:
- 应用统计比较方法来区分瓦莱利芬太尼,异瓦莱利芬太尼和皮瓦莱利芬太尼的EI质谱.
- 确定负责区分这些芬太尼异构体的特定离子.
- 建立一种可靠的方法,用于对芬太尼类型的客观光谱歧视.
主要方法:
- 在不同度下,在9个月内收集了valeryl fentanyl,isovaleryl fentanyl和pivaloyl fentanyl的EI质谱.
- 使用不平等变异的t测试来统计地比较光谱之间的正常化离子强度.
- 根据t统计 (t_calc) 排列分辨离子,以确定最可靠的离子进行差异化.
主要成果:
- 在99.9%的置信度水平下,相应异构体的光谱在统计上是相关的.
- 不同异构体的光谱在统计学上是不同的,特定的离子被认为是歧视性的.
- 统计方法成功地实现了对三个芬太尼异构体的客观歧视.
结论:
- 对EI质谱的统计比较提供了区分芬太尼异构体的客观方法.
- 确定了对歧视负责的关键因素,有助于最终识别.
- 这种方法提高了在法医分析中区分结构相似的芬太尼类 analog 的能力.
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