Visualization and data processing were performed using MassLynx XSTM 4.1 software (Waters Corporation, Manchester, UK). Only the centroid electrospray ionization (ESI) positive raw data were used in this study. The MarkerLynxTM application manager of the MassLynx software was used for data pre-processing (matrix creation). Four dataset matrices (hereafter referred to as Methods) were created by changing mass tolerance and intensity threshold settings: Method 1 (mass tolerance of 0.005 Da and intensity threshold of 10 counts), Method 2 (mass tolerance of 0.005 Da and intensity threshold of 100 counts), Method 3 (mass tolerance of 0.01 Da and intensity threshold of 10 counts), and Method 4 (mass tolerance of 0.01 Da and intensity threshold of 100 counts). For all of the Methods, the parameters of the MarkerLynxTM application were set to analyze the 1–15 min retention time (Rt) range of the mass chromatogram, mass range 100–1000 Da, and alignment of peaks across samples within the range of ±0.05 Da and ±0.20 min mass and Rt windows, respectively.