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