Peak purity assessment in liquid chromatography-mass spectrometry.
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.
Bylund
D
D
Department of Analytical Chemistry, Uppsala University, Sweden.
Danielsson
R
R
Markides
K E
KE
D002853:Chromatography, Liquid; D013058:Mass Spectrometry