The Center for Mass Spectrometry offers the following metabolomics services:

• LC/MS analysis of the different sample sets (i.e. disease and healthy).

• XCMS differential analysis of the LC/MS analyses.

• Provide XCMS output (m/z and RT) highlighting the ions that differed the most in intensity between data sets.

• Provide tentative identification based on accurate mass and molecules available in the METLIN database.

• Provide more firm identification based on comparative MS/MS and high accuracy analysis of 'unknown' with a standard provided by the client.

     Mass spectrometry (MS) has a strong history in drug metabolite analysis and has recently emerged as the foremost technology in endogenous metabolite research. The Center for Mass Spectrometry through recent equipment acquisitions provided by TSRI will now offer a new metabolite profiling service using both mass spectrometry technology and a new software "XCMS" developed at the Center (Analyical Chemistry in press) as well as new sample handling approaches (Analyical Chemistry in press). This platform allows for the statistical comparison of LC/MS data from multiple sets of samples, (for example cancerous cells versus noncancerous, viral infected cells versus noninfected) ultimately identifying ion abundance differences leading to the initial characterization of the metabolites. The Center has also established a database of known metabolites (METLIN, Therapeutic Drug Monitoring in press).