title: Automated screening of reversed-phase stationary phases for small-molecule separations using liquid chromatography with mass spectrometry.
abstract: There are various reversed-phase stationary phases that offer significant differences in selectivity and retention. To investigate different reversed-phase stationary phases (aqueous stable C18 , biphenyl, pentafluorophenyl propyl, and polar-embedded alkyl) in an automated fashion, commercial software and associated hardware for mobile phase and column selection were used in conjunction with liquid chromatography and a triple quadrupole mass spectrometer detector. A model analyte mixture was prepared using a combination of standards from varying classes of analytes (including drugs, drugs of abuse, amino acids, nicotine, and nicotine-like compounds). Chromatographic results revealed diverse variations in selectivity and peak shape. Differences in the elution order of analytes on the polar-embedded alkyl phase for several analytes showed distinct selectivity differences compared to the aqueous C18 phase. The electron-rich pentafluorophenyl propyl phase showed unique selectivity toward protonated amines. The biphenyl phase provided further changes in selectivity relative to C18 with a methanolic phase, but it behaved very similarly to a C18 when an acetonitrile-based mobile phase was evaluated. This study shows the value of rapid column screening as an alternative to excessive mobile phase variation to obtain suitable chromatographic settings for analyte separation.
authors.affiliation: Department of Chemistry and Biochemistry, The University of Texas at Arlington, Arlington, TX, USA.
authors.forename: Dananjaya K
authors.initials: DK
authors.lastname: Appulage
authors.affiliation: Department of Chemistry and Biochemistry, The University of Texas at Arlington, Arlington, TX, USA.
authors.forename: Evelyn H
authors.initials: EH
authors.lastname: Wang
authors.affiliation: Restek Corporation, Bellefonte, PA, USA.
authors.forename: Frances
authors.initials: F
authors.lastname: Carroll
authors.affiliation: Department of Chemistry and Biochemistry, The University of Texas at Arlington, Arlington, TX, USA.
authors.forename: Kevin A
authors.initials: KA
authors.lastname: Schug
mesh_terms: D001331:Automation; D002851:Chromatography, High Pressure Liquid; D013058:Mass Spectrometry; D054852:Small Molecule Libraries / Q000737:chemistry / Q000302:isolation & purification*
chemical_list: D054852:Small Molecule Libraries
keywords: Automated method scouting; Column switching; Drugs of abuse; Selectivity