Comprehensive analysis of LC/MS data using pseudocolor plots.

ABSTRACT: We have developed new applications of the pseudocolor plot for the analysis of LC/MS data. These applications include spectral averaging, analysis of variance, differential comparison of spectra, and qualitative filtering by compound class. These applications have been motivated by the need to better understand LC/MS data generated from analysis of human biofluids. The examples presented use data generated to profile steroid hormones in urine extracts from a Cushing's disease patient relative to a healthy control, but are general to any discovery-based scanning mass spectrometry technique. In addition to new visualization techniques, we introduce a new metric of variance: the relative maximum difference from the mean. We also introduce the concept of substructure-dependent analysis of ster

SUBMITTER: Crutchfield CA 

PROVIDER: S-EPMC4141469 | biostudies-literature | 2013 Feb

REPOSITORIES: biostudies-literature