## 2 Results and Discussion
### Partial Least Square Discriminant Analysis
**} & \multicolumn{1}{c}{**Class**} & \multicolumn{1}{c}{**Calibration Curve**} & \multicolumn{1}{c}{**Re\({}^{i}\)**} & \multicolumn{1}{c}{**Linear**} & \multicolumn{1}{c}{**Concentration (ggL.FW)**} & \multicolumn{1}{c}{**UV3-B**} \\ \cline{3-14}  & \multicolumn{1}{c}{**Class**} & \multicolumn{1}{c}{**Calibration Curve**} & \multicolumn{1}{c}{**Range (gL.FW)**} & \multicolumn{1}{c}{**Control**} & \multicolumn{1}{c}{**UV1-A**} & \multicolumn{1}{c}{**UV1-B**} & \multicolumn{1}{c}{**UV2-A**} & \multicolumn{1}{c}{**UV2-B**} & \multicolumn{1}{c}{**UV3-A**} & \multicolumn{1}{c}{**UV3-B**} \\ \hline
43 & p-Phenyldemand & y = 4.871\(\times\)\(-\)\(0.0061\) & 0.9856 & 10-500 & 89.0\(\pm\) 3.25a & 90.1\(\pm\) 1.35a & 84.84\(\pm\) 4.14a & 833.0\(\pm\) 70a & 99.6\(\pm\) 3.03a & 72.0\(\pm\) 2.028 & 73.87\(\pm\) 2.028b \\
44 & +Methyl-induced & y = 0.563\(\times\)\(-\)\(0.0062\) & 0.9920 & 0.6\(\pm\) 200 & 16.41 \(\pm\) 0.99a & 16.4\(\pm\) 0.66a & 16.40 \(\pm\) 0.42a & 16.39 \(\pm\) 0.41a & 16.40 \(\pm\) 0.51a & 16.37 \(\pm\) 0.41a & 16.35 \(\pm\) 0.35a \\
45 & Phenod & y = 2.1793\(\times\)\(-\)\(0.0024\) & 0.9966 & 0.2-100 & 23.98 \(\pm\) 0.52k & 26.58 \(\pm\) 0.23b & 31.0\(\pm\) 0.82a & 22.49 \(\pm\) 1.13c & 25.81 \(\pm\) 0.63b & 23.96 \(\pm\) 1.02k & 22.58 \(\pm\) 0.58k \\
46 & (H)-Crimmaldehyde & y = 0.708\(\times\)\(+\)\(0.012\) & 0.9774 & 0.1–10 & **v** & **v** & **v** & **v** & **v** & **v** & **v** & **v** \\ \hline \multicolumn{2}{l}{_Bunched-chain aliphatics_} & & & & & & & & & & & & & & \\ \hline
47 & Methyl-induced & k-core & y = 11.85\(\times\)\(-\)\(0.0019\) & 0.9987 & 0.5–120 & 616.0\(\pm\) 14.26a & 571.33 \(\pm\) 16.20b & 559.61 \(\pm\) 11.06b & 630.00\(\pm\) 26.5a & 630.00 \(\pm\) 15.15a & 600.57 \(\pm\) 13.25a & 600.00 \(\pm\) 12.15a \\
48 & 4/D-dimethyl-2-hydroxy & y = 0.418\(\times\)\(-\)\(0.0004\) & 0.9855 & 0.1–10 & **v** & **v** & **v** & **v** & **v** & **v** \\
49 & 3/3-dehydro-1-d & y = 2.098\(\times\)\(-\)\(0.0003\) & 0.9982 & 0.5–10 & 1.41 \(\pm\) 0.13c & 26.6\(\pm\) 0.15a & 2.28 \(\pm\) 0.16a & 2.10 \(\pm\) 0.18b & 1.93 \(\pm\) 0.11b & 1.80 \(\pm\) 0.16b & 2.55 \(\pm\) 0.13a \\
50 & 1/3-dehydro-2-hydroxy & y = 0.743\(\times\)\(-\)\(0.0024\) & 0.9970 & 0.1–26 & 0.79 \(\pm\) 0.040b & 1.67 \(\pm\) 0.11a & 0.69 \(\pm\) 0.02k & 1.12 \(\pm\) 0.04a & 0.85 \(\pm\) 0.06b & 0.74 \(\pm\) 0.04b & 0.58 \(\pm\) 0.02k \\
51 & (H)-3-dehydro-1-d & y = 2.081\(\times\)\(-\)\(0.0003\) & 0.9989 & 0.4–5 & 6.75 \(\pm\) 0.47a & 8.33 \(\pm\) 0.32a & 8.70 \(\pm\) 0.45a & 7.12 \(\pm\) 0.33b & 8.25 \(\pm\) 0.54a & 6.34 \(\pm\) 0.34c & 6.17 \(\pm\) 0.11c \\ \hline \multicolumn{2}{l}{_Methethogenic_} & & & & & & & & & & & & \\ \hline
52 & 3-Isobutyl-2-methoxypyrazine & y = 106.98\(\times\)\(-\)\(0.0012\) & 0.9996 & 0.1–50 & **v** & **v** & **v** & **v** & **v** & **v** & **v** \\ \hline \multicolumn{2}{l}{_Fatty acid-derived_} & & & & & & & & & & & & & & \\ \hline \multicolumn{2}{l}{_Spanish-chain alcohols_} & & & & & & & & & & & & & & & & \\ \hline
53 & 1-butanol & y = 3.703\(\times\)\(-\)\(0.0019\) & 0.9996 & 0.3–200 & 24.71 \(\pm\) 1.20b & 25.95\(\pm\) 1.34b & 27.26\(\pm\) 1.21a & 26.60\(\pm\) 1.54a & 28.66\(\pm\) 1.62a & 26.79 \(\pm\) 1.10a & 27.26 \(  
\begin{table}
\begin{tabular}{l l l l l l l l l l l l} \hline \hline \multirow{2}{*}{**No.