Exactive台式LC-MS的高分辨率质谱仪全扫描数据采集，快速的定量和定性分析

前言：

Samples from a tolbutamide in vitro rat hepatocyte incubation were analyzed using the Thermo Scientific Exactive benchtop liquid chromatography-Orbitrap mass spectrometry system to demonstrate its capability to produce high resolution, full scan MS and Higher Energy Collision Cell Dissociation (HCD) data. This data can be used for qualitative and quantitative assessment of compounds in early drug discovery studies. From the same data set, HCD can be used for structural elucidation as well as to obtain quantitative data to generate plots for the disappearance of the parent and the appearance of metabolites.

仪器：ExactiveTM OrbitrapTM system

结论：

The acquisition of full scan MS data enables flexibility in post-acquisition data processing that is not available when doing targeted analysis. This study has illustrated that full scan MS data can be used to provide quantitative information about the parent drug and its metabolites without a priori knowledge of the metabolites. In addition, high resolution accurate mass data from HCD scans can be used for structural elucidation.