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Schematic workflow for the metabolite profiling of ketoconazole using liquid chromatography–high resolution mass spectrometry (LC-HRMS)-based metabolomics. KCZ: ketoconazole, NADPH: reduced form of nicotinamide adenine dinucleotide phosphate, KCN: potassium cyanide, MS/MS: tandem mass spectrometry, MDA: multivariate data analysis, PLS-DA: partial least squares discriminant analysis, OPLS-DA: orthogonal partial least squares discriminant analysis.
