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Recent Advances in Metabolomics in Providing Mechanistic Insight and Discovering Biochemical Markers
Author(s) -
Evans Anne
Publication year - 2010
Publication title -
the faseb journal
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 1.709
H-Index - 277
eISSN - 1530-6860
pISSN - 0892-6638
DOI - 10.1096/fasebj.24.1_supplement.69.2
Subject(s) - metabolomics , computational biology , identification (biology) , computer science , chemistry , biology , chromatography , botany
Metabolomics is defined as “the non‐biased quantification and identification of all metabolites present in a biological system” but in practice the term metabolomics is used in a rather broad sense and covers many different analytical methodologies. To address the challenges associated with metabolomics, an integrated analytical and data handling platform was developed that provides a chemo‐centric global metabolomics analyses of biological systems. The analytical platform incorporates two separate UHPLC/MS/MS 2 methods and a GC/MS method which increases the overall coverage of small molecules in a biological sample. The resulting MS and/or MS 2 data are searched against an in‐house generated authentic standard library which includes retention time, molecular mass to charge (m/z), preferred adducts and in‐source fragment information as well as the associated MS fragmentation spectra for all biochemicals in the library. The library enables the rapid and accurate identification of the experimentally detected small molecules based on a multi‐parameter match without need for time consuming further analysis. This integrated platform allows the robust, high‐throughput collection and analysis of analytical data and accurately identifies a large number and broad spectrum of biochemicals thereby facilitating biochemical interpretation of metabolomic experiments.