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Integrates algorithms to extract compound spectra, annotate isotope and adduct peaks, and propose the accurate compound mass even in highly complex data. CAMERA integrates multiple methods for grouping related features, and uses a dynamic rule table for the annotation of ion species. It is designed to post-process XCMS feature lists, and to collect all features related to a compound into a compound spectrum. For this, a set of algorithms has been implemented in CAMERA, such as the fast retention time-based grouping, but also a graph-based algorithm to integrate the peak shape analysis, isotopic information and intensity correlation across samples. The automatic sample selection avoids poor results if compounds have a low intensity (or are absent) in some samples. The ion species annotation uses a dynamic rule set, and a new strategy to combine spectral information from samples measured in positive and negative ion mode.


A next-generation web application addressing storage, sharing, standardization, integration and analysis of metabolomics experiments. New features improve both efficiency and effectivity of the entire processing pipeline of chromatographic raw data from pre-processing to the derivation of new biological knowledge. First, the generation of high-quality metabolic datasets has been vastly simplified. Second, the new statistics tool box allows to investigate these datasets according to a wide spectrum of scientific and explorative questions.