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Peak purity assessment in liquid chromatography-mass spectrometry
D Bylund1, R Danielsson, K E Markides
1Department of Analytical Chemistry, Uppsala University, Sweden.
Journal of Chromatography. A
|May 19, 2001
Abstract:
Fixed-size moving window evolving factor analysis and base peak chromatograms have been used for peak purity detection in data generated with LC-MS. The two methods were evaluated with both real and simulated data and were found to be fast and complementary to each other. When a possibly impure peak is detected, it is suggested that further information can be obtained from local principal component analysis modelling and comparative mass chromatogram plots.