||Raw data files are converted to text file by MSGet software without cut off value and peaks are extracted from the text files by PowerFT with parameters (intensity cut off=20000, margin of ion grouping in peak detection=5, peak selection filter is default, intensity cut off in peak assignment=1000). The replicates data are aligned by PowerMatch with blank data. Average peak intensity cutoff value is 10000. The alignment is manually edited. Assigned peaks observed in multiple replicate samples are selected for annotation process.