LabAutomation 2006 - SLAS

LabAutomation2006
4:30 pm Tuesday, January 24, 2006 Track 1: Detection & Separation Room: Catalina
Wyndham Palm Springs Hotel
Elizabeth J. Want
Co-Author(s)
The Scripps Research Institute
Colin A. Smith
La Jolla, California
Grace O’Maille
lizwant@scripps.edu
Gary Siuzdak
Metabolomics: A Non-Linear Approach to Metabolite Profiling
Metabolites reflect an organism’s metabolism and may be used to detect or diagnose disease states. The aim of metabolite profiling is
to monitor all metabolites within a biofluid for applications in biochemical research, pharmacokinetic studies and biomarker discovery.
Using mass spectrometry, numerous metabolites can be monitored simultaneously with high accuracy and sensitivity. Here we describe
our in-house metabolite profiling platform utilizing liquid chromatography electrospray mass spectrometry (LC/ESI-MS) and our XCMS
data analysis software, incorporating novel algorithms for peak-matching and non-linear retention time correction, in conjunction with
the METLIN database. This platform addresses several key challenges in metabolite profiling, including extraction optimization in order
to maximize metabolite recovery. For serum, methanol protein precipitation was the most effective technique, resulting in over 2000
detected metabolite features and