Additional file 4.

Table of signals shown in Figure 6. The table lists signals shown in Figure 6. The tables lists signals present in the data as delineated by manual analysis and shown in Figure 6. For each signal (a) the retention time and five top m/z ions are given; (b) it wasmarked whether it was found by each of the programs (PyMS, AMDIS, AnalyzerPro, XCMS).

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O'Callaghan et al. BMC Bioinformatics 2012 13:115   doi:10.1186/1471-2105-13-115