title: A strategy for sensitive, large scale quantitative metabolomics.
abstract: Metabolite profiling has been a valuable asset in the study of metabolism in health and disease. However, current platforms have different limiting factors, such as labor intensive sample preparations, low detection limits, slow scan speeds, intensive method optimization for each metabolite, and the inability to measure both positively and negatively charged ions in single experiments. Therefore, a novel metabolomics protocol could advance metabolomics studies. Amide-based hydrophilic chromatography enables polar metabolite analysis without any chemical derivatization. High resolution MS using the Q-Exactive (QE-MS) has improved ion optics, increased scan speeds (256 msec at resolution 70,000), and has the capability of carrying out positive/negative switching. Using a cold methanol extraction strategy, and coupling an amide column with QE-MS enables robust detection of 168 targeted polar metabolites and thousands of additional features simultaneously.  Data processing is carried out with commercially available software in a highly efficient way, and unknown features extracted from the mass spectra can be queried in databases.
authors.affiliation: Division of Nutritional Sciences, Cornell University.
authors.forename: Xiaojing
authors.initials: X
authors.lastname: Liu
authors.affiliation: Division of Nutritional Sciences, Cornell University.
authors.forename: Zheng
authors.initials: Z
authors.lastname: Ser
authors.affiliation: Division of Nutritional Sciences, Cornell University; Field of Biochemistry, and Molecular Cell Biology, Cornell University.
authors.forename: Ahmad A
authors.initials: AA
authors.lastname: Cluntun
authors.affiliation: Division of Nutritional Sciences, Cornell University; Field of Biochemistry, and Molecular Cell Biology, Cornell University.
authors.forename: Samantha J
authors.initials: SJ
authors.lastname: Mentch
authors.affiliation: Division of Nutritional Sciences, Cornell University; Field of Biochemistry, and Molecular Cell Biology, Cornell University; locasale@cornell.edu.
authors.forename: Jason W
authors.initials: JW
authors.lastname: Locasale
mesh_terms: D002853:Chromatography, Liquid / Q000379:methods*; D016208:Databases, Factual; D006801:Humans; D055432:Metabolomics / Q000379:methods*; D053719:Tandem Mass Spectrometry / Q000379:methods*