Model-based peak alignment of metabolomic profiling from comprehensive two-dimensional gas chromatography mass spectrometry.

ABSTRACT:

Background

Comprehensive two-dimensional gas chromatography time-of-flight mass spectrometry (GCxGC/TOF-MS) has been used for metabolite profiling in metabolomics. However, there is still much experimental variation to be controlled including both within-experiment and between-experiment variation. For efficient analysis, an ideal peak alignment method to deal with such variations is in great need.

Results

Using experimental data of a mixture of metabolite standards, we demonstrated that our method has better performance than other existing method which is not model-based. We then applied our method to the data generated from the plasma of a rat, which also demonstrates good performance of our model.

Conclusions

We developed a model-based peak alignment method to proc

SUBMITTER: Jeong J 

PROVIDER: S-EPMC3323827 | biostudies-literature | 2012 Feb

REPOSITORIES: biostudies-literature