## 2 Results
### Method Validation and Data Acquisition
\begin{table}
\begin{tabular}{c c c c c c c c c c c c c c c} \hline \hline  & & & & & & & & & & & & & & & & & \\ \# & **RT** & **RI** & **Compound** & **Id** & **2017 Ab** & **2018 Ab** & **FC** & **2017 Ab** & **FC** & **2018 Ab** & **FC** & **2018 Ab** & **FC** & **Number** & **Formula** \\  & & & & & & **(Rekalb*)** & **(Rekalb*)** & & & **(Rekalb*)** & **FC** & **(Rekalb*)** & **FC** & **(Rekalb*)** & **FC** & **Number** & **Fromula** \\ \hline
1 & 6.7 & 900 & Ethyl Acetate ** & 2 & \(9.2\times 10^{6}\) & \(7.6\times 10^{8}\) & \(\downarrow\) & 1.2 & \(1.2\times 10^{6}\) & \(\uparrow\) & 1.3 & \(5.4\times 10^{6}\) & \(\downarrow\) & 1.7 & 141-78-6 & C4H8O2 \\
2 & 7.2 & 918 & Methyl Alcohol & 2 & \(1.7\times 10^{7}\) & \(1.5\times 10^{7}\) & \(\downarrow\) & 1.2 & \(1.4\times 10^{7}\) & \(\downarrow\) & 1.2 & \(1.7\times 10^{7}\) & \(\downarrow\) & 1.0 & 67-56-1 & CH4O \\  & & & & (1) & & & (0.6) & & & & & & & \\
3 & 10.6 & 1028 & Isobutyl acetate * & 2 & \(6.4\times 10^{6}\) & \(6.4\times 10^{6}\) & \(\downarrow\) & 1.0 & \(8.2\times 10^{6}\) & \(\uparrow\) & 1.3 & \(6.4\times 10^{6}\) & \(\uparrow\) & 1.0 & 110-19-0 & C6H12O2 \\
4 & 11.5 & 1051 & Ethyl butyrate ** & 2 & \(6.5\times 10^{7}\) & \(5.6\times 10^{7}\) & \(\downarrow\) & 1.2 & \(4.6\times 10^{7}\) & \(\downarrow\) & 1.4 & \(6.9\times 10^{7}\) & \(\uparrow\) & 1.1 & 105-54-4 & C6H12O2 \\  & & & (5) & (5) & & (2) & & & & & & & & \\
5 & 12.0 & 1064 & 1-Propanol & 2 & \(2.3\times 10^{7}\) & \(1.4\times 10^{7}\) & \(\downarrow\) & 1.6 & \(2.7\times 10^{7}\) & \(\uparrow\) & 1.2 & \(2.7\times 10^{7}\) & \(\uparrow\) & 1.2 & 71-23-8 & C3H8O \\
6 & 12.2 & 1068 & Ethyl & 2-methylbutyrate & 2 & \(1.3\times 10^{7}\) & \(2.9\times 10^{6}\) & \(\downarrow\) & 4.5 & \(1.2\times 10^{7}\) & \(\downarrow\) & 1.1 & ND & - & - & 7452-79-1 & C7H14O2 \\  & & & & (1) & & & (0.3) & & & & & & & \\
7 & 12.8 & 1084 & Ethyl & 2 & \(2.5\times 10^{7}\) & \(5.3\times 10^{6}\) & \(\downarrow\) & 4.8 & \(2.2\times 10^{7}\) & \(\downarrow\) & 1.1 & \(5.7\times 10^{6}\) & \(\downarrow\) & 4.4 & 108-64-5 & C7H14O2 \\  & & & & (2) & (0.5) & & & & & & & & & \\
8 & 13.2 & 1093 & Unknown 13.2265 & 2 & ND & ND & - & - & \(1.7\times 10^{6}\) & - & - & ND & - & - & C9H20O2 \\  & & & & & (0.1) & & & & & & & & & \\
9 & 14.6 & 1127 & Isobutyl alcohol & 2 & \(1.1\times 10^{8}\) & \(1.2\times 10^{8}\) & \(\uparrow\) & 1.1 & \(9.5\times 10^{6}\) & \(\downarrow\) & 1.2 & \(1.1\times 10^{8}\) & \(\uparrow\) & 1.0 & 78-83-1 & C4H10O \\
10 & 15.0 & 1135 & Isoamyl acetate & 2 & \(2.4\times 10^{8}\) & \(2.3\times 10^{8}\) & \(\downarrow\) & 1.0 & \(2.8\times 10^{6}\) & \(\uparrow\) & 1.2 & \(2.7\times 10^{8}\) & \(\uparrow\) & 1.1 & 123-92-2 & C7H14O2 \\  & & & & (18) & (20) & & & & & & & & & & \\
11 & 15.3 & 1143 & p-Xylene & 3 & ND & ND & - & - & ND & - & - & (0.1) & - & 106-42-3 & C8H10 \\
2 & 16.6 & 1170 & Unknown 16.5912 & 4 & ND & ND & - & - & ND & - & - & \(1.1\times 10^{6}\) & - & - & - & C10H16 \\  & & & & & (0.1) & & & & & & & & & & \\
13 & 17.3 & 1182 & 1-Butanol & 2 & ND & \(4.6\times 10^{6}\) & - & - & ND & - & - & ND & - & - & 71-36-3 & C4H10O \\
14 & 20.8 & 1261 & Styrene ** & 2 & \(5.4\times 10^{6}\) & \(5.4\times 10^{6}\) & \(\uparrow\) & 1.0 & \(2.9\times 10^{6}\) & \(\downarrow\) & 1.9 & \(7.2\times 10^{6}\) & \(\uparrow\) & 1.3 & 100-42-5 & C8H8 \\
15 & 21.2 & 1268 & p-Cymene & 2 & \((0.4)\) & \((0.5)\) & & & & & & & & & & \\
16 & 21.4 & 1273 & Isoamyl butyrate & 7.1\(\times 10^{6}\) & \(3.6\times 10^{6}\) & \(\downarrow\) & 4.6 & ND & - & - & \(1.3\times 10^{6}\) & \(\downarrow\) & 2.6 & 99-87-6 & C10H14 \\
17 & 21.8 & 1284 & Hexyl acetate ** & 2 & \((0.5)\) & \((0.3)\) & \(\downarrow\) & 2.0 & \(4.6\times 10^{6}\) & \(\downarrow\) & 1.5 & \(5.5\times 10^{6}\) & \(\downarrow\) & 1.3 & 106-27-4 & C9H18O2 \\
18 & 22.7 & 1301 & Furfuryl ethyl ether & 2 & ND & ND & - & - & \(1.6\times 10^{6}\) & - & \(\uparrow\) & 1.0 & \(1.0\times 10^{7}\) & \(\uparrow\) & 1.3 & 142-92-7 & C8H16O2 \\
19 & 22.8 & 1306 & Ethyl 3-hexenoate & 3 & ND & ND & - & - & \(1.6\times 10^{6}\) & - & - & ND & - & - & 02-5 & C7H10O2 \\
20 & 23.3 & 1319 & Acetoin & 2 & \(4.7\times 10^{6}\) & ND & - & - & ND & - & - & ND & - & - & 513-86-0 & C4H8O2 \\
21 & 23.9 & 1328 & Unknown 23.8754 & 2 & ND & \(2.3\times 10^{6}\) & - & \(2.3\times 10^{6}\) & - & - & ND & - & - & - & C10H18O \\  & & & & & (0.2) & & & & & & & & & & & \\
22 & 24.5 & 1343 & 4-Methyl-1-pentanol & 2 & \(6.1\times 10^{6}\) & \(3.3\times 10^{6}\) & \(\downarrow\) & 1.9 & ND & - & - & \(3.3\times 10^{6}\) & \(\downarrow\)  
\begin{table}
\begin{tabular}{c c c c c c c c c c c c c c c c} \hline \hline \multirow{2}{*}{\#} & \multirow{2}{*}{**RT**} & \multirow{2}{*}{**RI**} & \multirow{2}{*}{**Compound**} & \multirow{2}{*}{**Id**} & \multicolumn{2}{c}{**La Changa**} & \multicolumn{4}{c}{**Los Dolores**} & \multirow{2}{*}{**CAS**} \\  & & & & **(RelA)* & & **(RelA)* & & & **(RelA)* & & **FC** & **2018 AB** & \multirow{2}{*}{**FC**} & **Number** & **Formula** \\ \hline
32 & 27.9 & 1419 & 3-Octanol & 2 & \(1.3\times 10^{6}\) & \(1.1\times 10^{6}\) & \(\downarrow\) & \(1.2\) & \(1.5\times 10^{6}\) & \(\uparrow\) & \(1.1\) & \(1.0\times 10^{6}\) & \(\downarrow\) & \(1.3\) & 589-98-0 & CSH18O \\
33 & 28.5 & 1433 & cis-2-Hexen-l-l & 2 & \(1.3\times 10^{6}\) & ND & - - & - & \((01)\) & \(\uparrow\) & \(1.3\) & ND & - & - & 928-94-9 & C6H12O \\
34 & 29.3 & 1453 & Unknown 29.3449 & 4 & ND & ND & - & - & \(2.3\times 10^{9}\) & - & - & ND & - & - & C10H2O02 \\
35 & 30.3 & 1476 & Acetic acid * & 2 & \(2.3\times 10^{8}\) & \(3.6\times 10^{8}\) & \(\uparrow\) & \(1.6\) & \(4.0\times 10^{8}\) & \(\uparrow\) & \(1.7\) & \(2.3\times 10^{8}\) & \(\downarrow\) & \(1.0\) & 64-19-7 & C2H4O2 \\
36 & 30.6 & 1482 & 1-Heptanol & 2 & \(1.5\times 10^{7}\) & ND & - & - & \((0.6)\) & \(\downarrow\) & \(1.2\) & \(7.4\times 10^{6}\) & \(\downarrow\) & \(2.1\) & 111-70-6 & C7H16O \\
37 & 30.6 & 1482 & Unknown 30.6066 & 4 & \(3.6\times 10^{6}\) & ND & - & - & ND & - & - & ND & - & - & CSH4O2 \\
38 & 31.3 & 1499 & trans-Linaol oxide & 3 & ND & ND & - & - & \(2.2\times 10^{6}\) & - & - & ND & - & - & 34995-77-2 & C10H18O2 \\
39 & 31.4 & 1503 & Ethyl 7-ocetonate & 3 & \((01)\) & \((0.1)\) & \(\downarrow\) & \(1.5\) & ND & - & - & \((01)\) & \(\downarrow\) & \(1.3\) & 35194-38-8 & C10H18O2 \\
40 & 31.9 & 1513 & 2-Ethyl-l-hexaned & 2 & \(4.0\times 10^{6}\) & \(2.1\times 10^{6}\) & \(\downarrow\) & \(1.9\) & \(4.9\times 10^{6}\) & \(\uparrow\) & \(1.2\) & \(2.7\times 10^{6}\) & \(\downarrow\) & \(1.5\) & 104-76-7 & CSH18O \\  & & & & \((0.3)\) & \((0.2)\) & \((0.2)\) & & \((0.2)\) & & \((0.2)\) & & \((0.2)\) & \(\downarrow\) & \(1.6\) & 1002085-27 & C12H2O \\
41 & 32.5 & 1527 & Geranyl ethyl ether 1 & 3 & \((01)\) & \((0.1)\) & \((0.1)\) & \(\downarrow\) & \(1.4\) & ND & - & - & \((01)\) & \(\downarrow\) & \(1.0\) & 5 \\
42 & 32.8 & 1536 & 1-Octanol & 2 & \(8.1\times 10^{6}\) & \(2.9\times 10^{6}\) & \(\downarrow\) & \(2.8\) & \(1.1\times 10^{7}\) & \(\uparrow\) & \(1.3\) & \(3.2\times 10^{6}\) & \(\downarrow\) & \(2.5\) & 111-87-5 & CSH18O \\  & & & & \((0.6)\) & \((0.3)\) & \((0.5)\) & \((0.3)\) & \((0.3)\) & \((0.3)\) & \((0.3)\) & \(\downarrow\) & \(2.5\) & 111-87-5 & CSH18O \\
43 & 33.2 & 1545 & 2-Nonanol & 2 & \((0.5)\) & \((0.6)\) & \(\downarrow\) & \(1.1\) & \(7.8\times 10^{6}\) & \(\uparrow\) & \(1.1\) & \(5.7\times 10^{6}\) & \(\downarrow\) & \(1.2\) & 628-99-9 & CSH20O \\
44 & 33.5 & 1552 & Ethyl nonanoate & 2 & \(8.4\times 10^{6}\) & \(6.5\times 10^{6}\) & \(\downarrow\) & \(1.3\) & ND & - & - & ND & - & - & 123-29-5 & C11H2O2 \\  & & & & \((0.6)\) & \((0.6)\) & \((0.3)\) & \(\downarrow\) & \(1.5\) & \(5.9\times 10^{6}\) & \(\downarrow\) & \(1.8\) & 10348-47-7 & CSH16O3 \\
45 & 34.2 & 1569 & Ethyl-hydroxy-d- & 2 & \(1.1\times 10^{7}\) & \(7.5\times 10^{6}\) & \(\downarrow\) & \(1.1\) & \(7.0\times 10^{6}\) & \(\downarrow\) & \(1.5\) & \(5.9\times 10^{6}\) & \(\downarrow\) & \(1.8\) & 10348-47-7 & CSH16O3 \\  & & & \((0.8)\) & \((0.7)\) & \((0.3)\) & \((0.3)\) & \(\downarrow\) & \(1.1\) & \(5.4\times 10^{6}\) & \(\uparrow\) & \(1.1\) & \(5.0\times 10^{6}\) & \(\uparrow\) & \(1.0\) & 78-70-6 & C10H18O \\
46 & 34.2 & 1570 & \(\beta\)-Linaolol & 2 & \((0.4)\) & \((0.5)\) & \(\uparrow\) & \(1.1\) & \((0.2)\) & \((0.3)\) & \(\uparrow\) & \(1.0\) & 78-70-6 & C10H18O \\
47 & 34.4 & 1575 & 2,3-Butanediol & 2 & \((6)\) & \((9)\) & \(\uparrow\) & \(1.2\) & \(1.2\times 10^{8}\) & \(\uparrow\) & \(1.5\) & \(1.1\times 10^{6}\) & \(\uparrow\) & \(1.3\) & 513-85-9 & C4H10O2 \\
48 & 34.8 & 1583 & Unknown 34.7591 & 4 & \(2.8\times 10^{7}\) & \(1.9\times 10^{7}\) & \(\downarrow\) & \(1.5\) & \(2.4\times 10^{7}\) & \(\downarrow\) & \(1.2\) & \(1.9\times 10^{7}\) & \(\downarrow\) & \(1.5\) & - & CSH18O \\
49 & 34.9 & 1588 & Unknown 34.9582 & 4 & \(7.9\times 10^{5}\) & \(2.6\times 10^{5}\) & \(\downarrow\) & \(3.0\) & \(7.0\times 10^{5}\) & \(\downarrow\) & \(1.1\) & ND & - & - & - & - \\
50 & 35.3 & 1596 & Unknown 35.2873 & 4 & \(2.0\times 10^{6}\) & \(8.8\times 10^{6}\) & \(\downarrow\  
\begin{table}
\begin{tabular}{c c c c c c c c c c c c c c c c} \hline \hline \multicolumn{1}{c}{\multirow{2}{*}{\#}} & \multicolumn{1}{c}{**RT**} & \multirow{2}{*}{**RI**} & \multirow{2}{*}{**Compound**} & \multicolumn{1}{c}{**Id**} & \multicolumn{1}{c}{**2017 Ab**} & \multicolumn{1}{c}{**2018 Ab**} & \multicolumn{1}{c}{**FC**} & \multicolumn{2}{c}{**2017 Ab**} & \multicolumn{1}{c}{**FC**} & \multicolumn{2}{c}{**2018 Ab**} & \multicolumn{1}{c}{**FC**} & \multicolumn{1}{c}{**2018 Ab**} & \multicolumn{1}{c}{**FC**} & \multicolumn{1}{c}{**Number**} & \multicolumn{1}{c}{**Formula**} \\  & & & **(E4 Ab\%)** & **(E6 Lab\%)** & **(E6 Lab\%)** & **(E6 Lab\%)** & **(E6)** & **(E6 Lab\%)** & **(E6)** & **(E6)** & **(E6)** & **(E6)** & **(E6)** & **(E6)** & **(E6)** \\ \hline
66 & 41.3 & 1754 & Unknown 41.3476 & 4 & \(1.4\times 10^{6}\) & ND & - & - & \(2.1\times 10^{6}\) & \(\uparrow\) & 1.5 & ND & - & - & - & C11H12O3 \\  & & & & (0.1) & & & (0.1) & & & (0.1) & & & & & & & \\
67 & 41.5 & 1758 & Unknown 41.5185 * & 4 & \(1.7\times 10^{6}\) & \(5.0\times 10^{5}\) & \(\downarrow\) & 3.5 & \(8.8\times 10^{5}\) & \(\downarrow\) & 2.0 & \(9.0\times 10^{5}\) & \(\downarrow\) & 1.9 & - & C13H16 \\  & & & & (0.1) & & (0.0) & & \(\downarrow\) & 3.5 & (0.0) & \(\downarrow\) & 2.0 & (0.1) & \(\downarrow\) & 1.9 & - & C13H16 \\
68 & 41.8 & 1767 & Octyt either \(\dagger\) & 3 & ND & \(7.5\times 10^{5}\) & - & - & ND & - & - & \(8.9\times 10^{5}\) & \(\uparrow\) & 1.2 & 629-82-3 & C16H34O \\  & & & & & (0.1) & & & (0.1) & & & & & & & & & \\
69 & 42.2 & 1776 & dimethylethylly- & 3 & ND & \(1.2\times 10^{6}\) & - & - & ND & - & - & ND & - & - & 21862-63-5 & C10H20O \\  & & & & & (0.1) & & & & & & & & & & & & \\
70 & 42.6 & 1787 & Decyl alcohol & 2 & \(9.4\times 10^{6}\) & \(9.8\times 10^{6}\) & \(\uparrow\) & 1.0 & \(9.1\times 10^{6}\) & \(\downarrow\) & 1.0 & \(9.7\times 10^{6}\) & \(\uparrow\) & 1.0 & 112-30-1 & C10H2O \\
71 & 42.7 & 1790 & Unknown 42.6886 & 2 & \(3.8\times 10^{7}\) & \(3.3\times 10^{7}\) & \(\downarrow\) & 1.1 & \(1.9\times 10^{7}\) & \(\downarrow\) & 2.0 & \(1.8\times 10^{7}\) & \(\downarrow\) & 2.1 & - & CSH9 NO2 \\  & & & & (3) & (3) & (3) & (0.8) & & & (1) & & & & & & \\
72 & 42.9 & 1794 & Methyl Salicylate & 2 & ND & ND & - & - & \(1.3\times 10^{6}\) & - & - & ND & - & - & 119-36-8 & CSHBOS \\  & & & & & (0.1) & & & & (0.1) & & & & & & & & \\
73 & 43.3 & 1807 & Ethyl phenylacetate & 2 & \(2.3\times 10^{6}\) & \(7.0\times 10^{5}\) & \(\downarrow\) & 3.3 & \(3.3\times 10^{6}\) & \(\uparrow\) & 1.4 & \(8.2\times 10^{5}\) & \(\downarrow\) & 2.8 & 101-97-3 & C10H12O2 \\  & & & & (0.2) & & (0.1) & & & (0.2) & \(\uparrow\) & 1.4 & \(8.2\times 10^{6}\) & \(\downarrow\) & 2.8 & 101-97-3 & C10H12O2 \\  & & & & & (0.2) & & & (0.2) & & & & & & & & \\
74 & 43.7 & 1818 & Unknown 43.7419 & 4 & \(4.5\times 10^{6}\) & \(1.8\times 10^{6}\) & \(\downarrow\) & 2.5 & \(3.7\times 10^{6}\) & \(\downarrow\) & 1.2 & \(2.1\times 10^{6}\) & \(\downarrow\) & 2.1 & - & CSHH14O4 \\  & & & & (0.3) & & (0.2) & & & & & & & & & & \\
75 & 44.1 & 1828 & Unknown 44.0789 & 4 & \(1.0\times 10^{6}\) & \(6.2\times 10^{5}\) & \(\downarrow\) & 1.7 & ND & - & - & \(7.5\times 10^{5}\) & \(\downarrow\) & 1.4 & - & C14H22 \\  & & & & (0.1) & & (0.1) & & (0.1) & & & & & & & & & \\
76 & 44.4 & 1839 & Phenethyl acetate * & 2 & \(1.5\times 10^{7}\) & \(1.3\times 10^{7}\) & \(\downarrow\) & 1.2 & \(2.7\times 10^{7}\) & \(\uparrow\) & 1.8 & \(1.5\times 10^{7}\) & \(\uparrow\) & 1.0 & 103-45-7 & C10H12O2 \\  & & & & (0.1) & & & & (1) & & & & & & & & \\
77 & 44.7 & 1846 & \(\beta\)-Damascenone & 2 & \(35\times 10^{6}\) & \(5.8\times 10^{6}\) & \(\uparrow\) & 1.6 & \(4.0\times 10^{6}\) & \(\uparrow\) & 1.1 & \(7.1\times 10^{6}\) & \(\uparrow\) & 2.0 & 23726-93-4 & C13H18O \\  & & & & & (0.3) & & (0.5) & & & & & & & & & \\
78 & 45.3 & 1863 & Ethyl dodecanoate & 2 & \(2.7\times 10^{7}\) & \(2.9\times 10^{7}\) & \(\uparrow\) & 1.1 & \(1.7\times 10^{7}\) & \(\downarrow\) & 1.5 & \(2.4\times 10^{7}\) & \(\downarrow\) & 1.1 & 106-33-2 & C14H2B02 \\  & & & & (2) & & (3) & & (0.8) & & & & & & & & \\
79 & 45.6 & 1872 & Hexanoic acid * & 2 & \(5.6\times 10^{7}\) & \(3.3\times 10^{7}\) & \(\downarrow\) & 1.7 & \(5.9\times 10^{7}\) & \(\uparrow\) & 1.1 & \(5.7\times 10^{7}\) & \(\uparrow\) & 1.0 & 142-62-1 & C6H12O2 \\  & & & & (4) & (5) & & & & & & & & & & & & \\
80 & 46.0 & 1883 & Isosymd decanoate * & 2 & \(2.4\times 10^{6}\) & \(1.1\times 10^{6}\) & \(\downarrow\) & 2.1 & \(1.1\times 10^{6}\) & \(\downarrow\) & 2.3 & \(1.6\times 10^{6}\) & \(\downarrow\) & 1.5 &Selectivity was assessed with the method capability to successfully discriminate between isomers \(\alpha\)-Pinene and \(\beta\)-Pinene (136.125 g/moL) by retention time and mass fragmentation spectrum.