Time-of-Flight Mass Spectrometry Versus Orbitrap-Based Mass Spectrometry for the Screening and Identification of Drugs and Metabolites: Is There a Winner?

摘要: Abstract This chapter seeks to provide an unbiased comparison of the performance Orbitrap-based mass spectrometry and (hybrid) time-of-flight in combination with liquid chromatography for analysis small drug molecules their (bio)transformation products. After a brief introduction fundamental principles Orbitrap analyzer description two most prominent instrument architectures (LTQ-Orbitrap Exactive), key parameters high-resolution technologies including resolving power, accuracy (stability), linearity, sensitivity, isotopic fidelity are compared discussed. The reviewed fields applications cover (a) screening aqueous solid environmental samples presence pharmaceutical residues, as well structural characterization biotic abiotic transformation products generated under controlled conditions; (b) screening, confirmation, quantification residues food matrices; (c) identification vitro metabolites crucial step selection suitable candidates discovery; (d) detection doping agents illicit drugs biological human animal origin. this extensive relevant peer-reviewed literature on listed topics, recent generation ToF instruments, which little or no published data available scientific literature, is presented, distinctive operational features potential value qualitative quantitative