The Short and Long of it: Shorter Chromatographic Analysis Suffice for Sample Classification During UHPLC-MS-Based Metabolic Fingerprinting

摘要: Ultra high-performance liquid chromatography hyphenated to mass spectrometry (UHPLC-MS) technologies has been widely applied in metabolomics, and the high resolution peak capacity thereof are only some of key aspects that exploited such related fields. In current study, we investigated if low chromatography, with aid multivariate data analyses, could be sufficient for a metabolic fingerprinting study aims at discriminating between samples different biological status or origin. UHPLC-MS from chemically-treated Arabidopsis thaliana plants were used chromatograms gradient lengths compared. MarkerLynx™ technology was employed mining, followed by principal component analysis (PCA) orthogonal projections latent structure discriminant (OPLS-DA) as statistical interpretations. The results showed that, despite congestion (of 5 10 min), classified based on their respective background similar manner when using better 20 40 min). This paper thus underlines together analyses suffice classification samples. also suggest depending initial objective undertaken optimisation chromatographic prior full scale metabolomics studies is mandatory.