## 2 Results and Discussion
### GCMS Analysis of Non-Volatile Primary Metabolites Post Silylation
\begin{table}
\begin{tabular}{l c c c c c c c c} \hline
**Peak No.** & \(R_{t}\) **(min)** & **RI** & \multicolumn{2}{c}{**Compound**} & **RW** & **RS** & \(\mathbf{P_{1}}\) & \(\mathbf{P_{2}}\) & **C** \\ \hline Alcohols & & & & & & & & & \\ S1 & 4.3 & 971.6 & Ethylene glycol, di-TMS & \(3.22\pm 0.63\) & \(5.19\pm 1.83\) & \(5.97\pm 2.36\) & \(4.07\pm 2.25\) & \(0.24\pm 1.02\) \\ S2 & 9.12 & 1281.9 & Glycerol, tri-TMS & \(0.21\pm 0.04\) & \(0.12\pm 0.12\) & \(0.19\pm 0.04\) & \(0.32\pm 0.07\) & \(0.50\pm 0.15\) \\ Total alcohols & & & & & & & \\ Acids and lactones & & & & & & & \\ S3 & 1051.2 & Glycolic acid acetate, TMS & \(2.38\pm 0.95\) & \(3.08\pm 0.01\) & \(7.96\pm 1.18\) & \(3.14\pm 3.96\) & \(2.65\pm 1.43\) \\ S4 & 6.08 & 1062.0 & Lactic acid, di-TMS & \(1.41\pm 0.64\) & \(1.45\pm 0.55\) & \(3.50\pm 0.50\) & \(2.08\pm 1.72\) & \(2.54\pm 0.83\) \\ S5 & 6.25 & 1076.1 & Glycolic acid, di-TMS & \(1.27\pm 0.51\) & \(1.95\pm 0.54\) & \(2.81\pm 0.82\) & \(4.26\pm 1.24\) & \(5.15\pm 1.88\) \\ S6 & 7.06 & 1134.6 & Ochia acid, di-TMS & \(0.34\pm 0.32\) & \(0.04\pm 0.01\) & \(0.04\pm 0.17\) & \(0.00\pm 0.08\) & \(0.01\pm 0.07\) \\ S7 & 7.07 & 1135.1 & 2-Furancharboxylic acid, TMS & \(0.03\pm 0.02\) & \(0.04\pm 0.01\) & \(0.11\pm 0.02\) & \(0.22\pm 0.05\) & \(0.44\pm 0.11\) \\ S8 & 7.23 & 1146.4 & 3-Hydroxypropylacid, di-TMS & \(0.60\pm 0.27\) & \(0.94\pm 0.24\) & \(1.34\pm 0.39\) & \(0.39\pm 0.59\) & \(0.46\pm 0.27\) \\ S9 & 7.30 & 1151.9 & Pantalactone, TMS & \(0.25\pm 0.13\) & \(0.35\pm 0.09\) & \(0.52\pm 0.14\) & \(0.37\pm 0.24\) & \(0.19\pm 0.12\) \\ S10 & 7.47 & 1163.5 & 3-Hydroxyisobutyric acid, di-TMS & \(0.74\pm 0.35\) & \(0.96\pm 0.28\) & \(1.81\pm 0.38\) & \(1.08\pm 0.86\) & \(0.68\pm 0.36\) \\ S11 & 7.81 & 1187.9 & Cyclohexohex-carboxylate exploits acid, TMS & \(0.13\pm 0.06\) & \(0.19\pm 0.05\) & \(0.31\pm 0.07\) & \(0.25\pm 0.14\) & \(0.12\pm 0.09\) \\ S12 & 8.14 & 1211.3 & Acetacetic acid, di-TMS & \(0.14\pm 0.05\) & \(0.37\pm 0.07\) & \(0.37\pm 0.18\) & \(0.49\pm 0.16\) & \(0.13\pm 0.19\) \\ S13 & 8.83 & 1239.3 & 4-Hydroxybutyrate acid, di-TMS & \(0.05\pm 0.04\) & \(0.03\pm 0.01\) & \(0.07\pm 0.02\) & \(0.06\pm 0.04\) & \(0.10\pm 0.02\) \\ S14 & 8.69 & 1250.9 & Benzoic acid, TMS & \(0.19\pm 0.11\) & \(0.23\pm 0.06\) & \(0.32\pm 0.09\) & \(0.33\pm 0.14\) & \(0.05\pm 0.13\) \\ S15 & 8.88 & 1264.5 & Octanato acid, di-TMS & \(0.11\pm 0.04\) & \(0.17\pm 0.05\) & \(0.21\pm 0.07\) & \(0.09\pm 0.04\) & \(0.06\pm 0.06\) \\ S16 & 9.60 & 1316.9 & Sociemic acid, di-TMS & \(0.99\pm 0.38\) & \(1.78\pm 0.43\) & \(2.72\pm 0.79\) & \(3.39\pm 1.23\) & \(1.88\pm 1.39\) \\ S17 & 9.77 & 1330.2 & 2-Methyl succinidic acid, di-TMS & \(0.56\pm 0.18\) & \(1.10\pm 0.27\) & \(1.78\pm 0.51\) & \(1.47\pm 0.81\) & \(1.86\pm 0.49\) \\ S18 & 9.92 & 1340.9 & Glyceri acid, tri-TMS & \(0.05\pm 0.00\) & \(0.03\pm 0.03\) & \(0.02\pm 0.02\) & \(0.05\pm 0.01\) & \(0.14\pm 0.02\) \\ S19 & 10.02 & 1348.5 & Fumaric acid, di-TMS & \(0.01\pm 0.00\) & \(0.01\pm 0.01\) & \(0.00\pm 0.00\) & \(0.00\pm 0.01\) & \(0.02\pm 0.01\) \\ S20 & 10.14 & 1357.5 & Methyl malic acid, di-TMS & \(0.09\pm 0.03\) & \(0.15\pm 0.04\) & \(0.28\pm 0.06\) & \(0.23\pm 0.13\) & \(1.04\pm 0.09\) \\ S21 & 11.00 & 1423.1 & 3-Deoxytetronic acid, di TMS & \(0.01\pm 0.00\) & \(0.14\pm 0.01\) & \(0.08\pm 0.08\) & \(0.05\pm 0.04\) & \(0.42\pm 0.02\) \\ S22 & 14.21 & 1688.7 & 3-Oxo-glutarate acid, tri-TMS & \(0.23\pm 0.16\) & \(0.01\pm 0.03\) & \(0.00\pm 0.09\) & \(0.00\pm 0.04\) & \(0.00\pm 0.04\) \\ Total Lipids and lactones & & & & & & & \\ Phenolic acid & & & & & & & & \\ S23 & 17.07 & 1961.3 & Hydrocaffe acid, tri-TMS & & & & & \\ Amino acids and other nitrogen compounds & & & & & & & & \\ S24 & 7.10 & 1137.2 & Sarcosine, \(N\),O-di-TMS & \(0.20\pm 0.06\) & \(0.49\pm 0.09\) & \(0.57\pm 0.24\) & \(0.55\pm 0.24\) & \(0.19\pm 0.18\) \\ S25 & 7.15 & 1140.5 & 3-Pyridinol, TMS & \(0.01\pm 0.01\) & \(0.01\pm 0.00\) & \(0.05\pm 0.00\) & \(0.06\pm 0.03\) & \(0.93\pm 0.03\) \\ S26 & 12.38 & 1533.6 & L-Pyroglutamic acid, \(N\),O-di-TMS & \(0.26\pm 0.04\) & \(0.11\pm 0.16\) & \(0.16\pm 0.06\) & \(0.41\pm 0.06\) & \(10.82\pm 0.21\) \\ S27 & 16.10 & 1865.2 & Caffe & \(0.03\pm 0.02\) & - & \(0.00\pm 0.01\) & \(0.00\pm 0.01\) & \(3.61\pm 0.00\) \\ \hline \end{tabular}
\end{table}