For each sample, the acquisition was performed in five separate repetitions for each primary ions species to provide substantial data for subsequent statistical analyses. Analyses were carried out in both positive and negative ion modes. Throughout the acquisition process, there is a shift in the spectrum peaks, necessitating calibration. This calibration was carried out using CH3 + , C2H5 + , C3H5+, and C4H7 + peaks in positive mode, and CH -, C2H -, C3H -, and C4H -peaks in negative mode. The automatic identification and quantification of the pattern of peaks was done, and a binning as well as a normalization procedure have been applied on all spectra. The details of the automatic identification and quantification protocol of the group of peaks will be discussed in the following section. For a more detailed explanation of the analysis conditions, binning and normalization steps, please refer to the Electronic Supplementary Information.