CHROMATOGRAPHY, Vol. 28 (2007), No. 3, pp. -143

The principles behind computer.assisted chromatographic method development are well established. Experiments are performed in which one or more parameters are modified, and the changes in retention time for each peak are used to predict the best conditions under which to work. Predicted experiments are performed, and the model is refined as necessary. The result is generally a better chromatographic method developed in a shorter time frame. However, for particularly challenging samples, the experiment/prediction cycle may involve a large number of iterations, and a concurrently large amount of time and effort for the chromatographer in terms of data review and management, method design, and instrument configuration. Attempts have been made to fully automate this process, hampered mainly by an inability to track (particularly impurity) peaks. In addition, the tools have typically lacked versatility, such that established method development routines were required to be amended in order to fit the capabilities of the tool. This presentation will illustrate a solution to this problem, by combining versatile instrument control with chemometric evaluation of secondary detection techniques. The tool uses both UV-Vis and MS detection to track peaks unequivocally, developing methods resolving even trace impurities. The software is designed to interface directly with LC/MS/DAD instruments, in order to alleviate issues with manual instrument control, but also has unique data handling and storage systems designed to drastically reduce the time required for data review and report creation. A very wide array of instrument configurations and method development approaches are supported by this system.