on 10-02-201904:43 PM - edited on 10-15-202107:19 AM by AnalyteGuru
Anas Kamleh1, Chiara Lavarello2, Sebastiano Barco2, Igor Fochi1, Martina Batolucci2, Gino Tripodi2, Giuliana Cangemi2, Emanuele Magi3 and Andrea Petretto2 Metabolomics 2019 Purpose: In order to facilitate sharing of information between groups involved in neonatal metabolomics analysis, we established a semitargeted screening method for 634 metabolites composing the commercial IROA standard mix. The method makes use of a curated spectral library along with accurate mass retention time (AMRT) databases obtained from optimized Hydrophilic Interaction Liquid Chromatography (HILIC) and reversed-phase (RP) chromatographic methods.
Methods: Data in the spectral library was acquired using flow injection analysis (FIA) which allowed the fast acquisition of spectra at a wide range of collision energies (0-120, normalized collision energy; NCE). Additionally, a separate library, with optimized collision energy, was constructed by applying rules of maximal selectivity and structural information. Additionally, multiple RP and HILIC columns were evaluated for coverage, peak shape and detection of the IROA metabolites and the optimal methods were further tested in biological matrices. Retention times of metabolites spiked in matrix were recorded and form the basis of our approach.
1 Thermo Fisher Scientific, Europe, 2 Gaslini Hospital for Children, Genoa, Italy, 3Department of Chemistry and Industrial Chemistry, University of Genoa, Genoa, Italy