Minder E I, Schaubhut R, Minder C E, Vonderschmitt D J
Central Laboratory of Clinical Chemistry, University Hospital, Zurich, Switzerland.
J Chromatogr. 1987 Aug 7;419:135-54. doi: 10.1016/0378-4347(87)80273-6.
A system is described that identifies a number of unknown drugs (benzodiazepines, antidepressants and neuroleptics) in blood specimens for clinical-toxicological purposes. Reversed ion-pair high-performance liquid chromatography with a photodiode array detector saves the ultraviolet spectrum of every chromatographically significant peak. Post-run data-processing, provided by a microcomputer, retrieves candidate substances from a library of ultraviolet spectra. Selected standard ultraviolet spectra are compared with the unknown by five different similarity tests. The discriminatory efficiency of these algorithms has been determined. Multicomponent analysis, a built-in program of the spectrophotometer, provided the most reliable results.
描述了一种用于临床毒理学目的、识别血液样本中多种未知药物(苯二氮卓类、抗抑郁药和抗精神病药)的系统。配备光电二极管阵列检测器的反相离子对高效液相色谱法可保存每个具有色谱意义的峰的紫外光谱。由微型计算机提供的运行后数据处理从紫外光谱库中检索候选物质。通过五种不同的相似性测试将选定的标准紫外光谱与未知物进行比较。已确定了这些算法的鉴别效率。分光光度计的内置程序多组分分析提供了最可靠的结果。