Theoretical evaluation of peak capacity improvements by use of liquid chromatography combined with drift tube ion mobility-mass spectrometry.

摘要: In the domain of liquid phase separations, quality separation obtainable is most readily gauged by consideration classical chromatographic peak capacity theory. Column-based multidimensional strategies for chromatography remain attractive and practical route increasing number spatially resolved components in order to reduce stress on necessary mass spectrometric detection. However, placed a step as second dimension comprehensive online methodology (i.e. LC×LC) rather high. As an alternative LC×LC combinations, coupling HPLC with ion mobility spectrometry hyphenated (IMS-MS) has emerged approach permit sampling first peaks subsequent introduction orthogonal IMS prior measurement ions spectrometer. present work, utilization theory allows theoretical assessment potential two- (LC×IMS-MS) or even three-dimensional (LC×LC×IMS-MS) experimental setups enhance and, therefore, correctly annotated features within framework complex, non-targeted analysis problems frequently addressed using HPLC-MS strategies. Theoretical calculations indicate that newly-available drift tube IMS-MS instrumentation can yield capacities between 10 40 nitrogen gas typical metabolomic, lipidomic proteomic applications according expected reduced mobilities respective samples. Theoretically, this significantly improve overall conventional HPLC-(MS) methodologies excess 10(4) depending upon column length gradient time employed. A more elaborate combination LC×LC×IMS-MS would suppression limitation possibly allow access theoretically higher capacities, but such may render practically redundant well imparting well-known dilution associated LC×LC. Finally, some predictions co-eluted isobaric compounds also be made considering required peak-to-peak resolution acceptable separation. The here-described predication used aid method development HPLC×IMS-MS accompanied considerations should contemplated workflows.