Table A1.
Substances | RT | RI exp | RI lit | EEP_P1[%] | EEP_P2[%] | EEP_P3[%] | |
---|---|---|---|---|---|---|---|
1 | Benzyl alcohol, TMS derivative | 6.110 | 1155 | 1152 | 0.12 | 0.15 | 0.1 |
2 | Benzoic Acid, TMS derivative | 8.795 | 1246 | 1249 | 4.35 | 3.8 | 3.15 |
3 | Glycerol, TMS | 10.162 | 1287 | 1289 | 0.78 | 0.99 | 1.55 |
4 | Butanedioic acid, 2TMS derivative | 11.445 | 1320 | 1321 | 0.12 | 0.04 | 0.13 |
5 | 1-Monoacetin, 2O-TMS | 11.740 | 1326 | 1324 | 0.13 | 0.07 | 0.08 |
6 | 4-Hydroxybenzaldehyde, TMS derivative | 13.737 | 1373 | 1383 | 0.22 | 0.16 | 0.08 |
7 | Hydroquinone, 2TMS derivative | 15.308 | 1409 | 1408 | 0.24 | 0.2 | 0.08 |
8 | Malic acid, 3TMS derivative | 20.278 | 1511 | 1497 | 0.09 | 0.06 | 1.1 |
9 | 5-Oxoproline, TMS derivative | 20.680 | 1521 | 1527 | 0.1 | 0.09 | - |
10 | Vanillin, TMS derivative | 21.622 | 1536 | 1530 | 1.48 | 0.5 | 0.37 |
11 | Cinnamic acid, TMS derivative | 22.048 | 1545 | 1542 | 0.12 | 0.14 | 0.25 |
12 | 4-Hydroxybenzoic acid, 2TMS derivative | 26.623 | 1634 | 1635 | 0.27 | 0.22 | 0.08 |
13 | Dodecanoic acid, TMS | 27.858 | 1658 | 1655 | 0.13 | 0.09 | - |
14 | β-D-Xylopyranose, 4TMS derivative | 34.330 | 1784 | 1777 | 0.17 | - | - |
15 | o-Coumaric acid, 2TMS derivative | 34.975 | 1797 | 1815 | 0.26 | 0.26 | 0.09 |
16 | D-Psicofuranose | 37.465 | 1848 | 1837 | 1.28 | 1.2 | 0.76 |
17 | D-Fructose, 5TMS derivative | 37.855 | 1856 | 1867 | 7.4 | 9.55 | 8.51 |
18 | D-Sorbitol, 6TMS derivative | 41.075 | 1922 | 1920 | 0.22 | 0.09 | 7.15 |
19 | D-Glucose, 5TMS derivative | 41.635 | 1934 | 1928 | 4.82 | 8.5 | - |
20 | 4-Coumaric acid, 2TMS derivative | 42.223 | 1947 | 1949 | 10.74 | 13.68 | 1.34 |
21 | D-Glucitol, 6TMS derivative | 43.902 | 1982 | 1980 | 0.44 | 0.34 | 0.18 |
22 | Gallic acid, 4TMS derivative | 44.118 | 1986 | 1987 | 0.39 | 0.1 | 0.21 |
23 | Salicylic acid, trimethylsilyl ether, benzyl ester | 45.910 | 2028 | 2025 | 0.55 | 0.49 | 0.11 |
24 | D-Mannopyranose, 5TMS derivative | 46.347 | 2038 | 2037 | 4.87 | 8.84 | 7.8 |
25 | D-Gluconic acid, 6TMS derivative | 46.875 | 2052 | 2043 | 0.16 | 0.16 | 0.09 |
26 | Palmitic Acid, TMS derivative | 47.070 | 2057 | 2050 | 0.85 | 0.7 | 0.69 |
27 | Isoferulic acid, 2TMS derivative | 48.435 | 2090 | 2081 | 0.17 | 0.67 | 2.7 |
28 | Ferulic acid, 2TMS derivative | 48.950 | 2103 | 2103 | 4.79 | 2.95 | 2.69 |
29 | Myo-Inositol, 6TMS derivative | 49.822 | 2132 | 2129 | 0.18 | 0.1 | 1.17 |
30 | Phtalic acid derivative* | 50.387 | 2150 | - | 1.07 | 1.19 | 4.02 |
31 | Caffeic acid, 3TMS derivative | 50.548 | 2157 | 2155 | 1.06 | 2.15 | - |
32 | Unknown | 51.908 | 2202 | - | 1.54 | 2.48 | 0.19 |
33 | 13-Octadecenoic acid, (E)-, TMS derivative | 52.383 | 2222 | 2228 | 0.59 | 0.72 | 0.88 |
34 | 3,7,11,15-Tetramethyl-2,6,10,14-hexadecatetraene-1-ol trimethylsilyl ether | 52.697 | 2236 | 2234 | 1.65 | 2.7 | 0.25 |
35 | Tricosane | 54.272 | 2300 | 2300 | 1.14 | 0.42 | 0.08 |
36 | Unknown | 55.733 | 2370 | - | - | - | 1.21 |
37 | Unknown | 56.810 | 2424 | - | - | - | 2.4 |
38 | Pterostilbene, trimethylsilyl ether | 57.507 | 2462 | - | 0.39 | 0.48 | 0.82 |
39 | Pentacosane | 58.223 | 2501 | 2506 | 0.83 | 0.26 | 0.64 |
40 | Unknown | 58.548 | 2519 | - | 4.41 | 4.32 | 1.5 |
41 | Ethyl trans-caffeate, bis(tert-butyldimethylsilyl) ether | 58.675 | 2527 | 2547 | 0.11 | 0.08 | 0.16 |
42 | Bisphenol C* | 59.085 | 2551 | - | 1.47 | 3.58 | 5.2 |
43 | 1-Docosanol, TMS derivative | 59.220 | 2558 | 2557 | 0.25 | 0.48 | 0.67 |
44 | Unknown | 59.577 | 2579 | - | 0.3 | 0.19 | 0.45 |
45 | Butanoic acid, 4-methoxy-2-nitro-, 2,6-bis(1,1-dimethylethyl)-4-methoxyphenyl ester | 59.990 | 2604 | 2595 | 0.6 | 0.25 | 3.25 |
46 | Unknown | 60.465 | 2635 | - | 0.45 | 0.71 | 0.56 |
47 | Behenic acid, TMS derivative | 60.650 | 2645 | 2644 | 1.05 | 0.37 | - |
48 | Unknown | 60.938 | 2664 | - | 0.82 | 1.22 | 2.59 |
49 | Unknown | 61.132 | 2675 | - | 0.27 | 0.59 | 1.51 |
50 | Unknown | 61.280 | 2685 | - | 2.12 | 0.96 | 0.9 |
51 | Maltose, 8TMS derivative, isomer 2 | 61.415 | 2693 | 2693 | 1.56 | 2.96 | 5.33 |
52 | n-Heptacosane | 61.527 | 2700 | 2700 | 0.82 | 0.2 | - |
53 | Sucrose, 8TMS derivative | 61.700 | 2712 | 2712 | 2.38 | 0.43 | 0.23 |
54 | D-(+)-Turanose, octakis(trimethylsilyl) ether, methyloxime (isomer 1) | 61.925 | 2727 | 2724 | 0.53 | 1.96 | 4.92 |
55 | Maltose, OTMS | 62.035 | 2735 | 2733 | 0.38 | 0.18 | 0.11 |
56 | D-Cellobiose, (isomer 2), 8TMS derivative | 62.258 | 2749 | 2762 | 1.7 | 2.64 | 0.43 |
57 | Naringenin, O,O’-bis(trimethylsilyl)- | 62.612 | 2772 | 2778 | 1.07 | 3.48 | 6.06 |
58 | Unknown | 63.180 | 2813 | - | - | - | 2.08 |
59 | Isosakuranetin, TMS derivative | 63.345 | 2821 | 2818 | 0.74 | 1.43 | 0.2 |
60 | Lignoceric acid, TMS derivative | 63.648 | 2842 | 2838 | 7.82 | 3.45 | 0.35 |
61 | Sakuranetin, TMS derivative | 64.200 | 2882 | 2877 | 0.96 | 0.58 | 0.26 |
62 | Catechine, 5TMS derivative | 64.872 | 2932 | 2938 | 0.17 | 0.13 | - |
63 | Gettibiose, TMS derivative | 65.712 | 2991 | 2989 | 0.39 | 0.38 | 0.29 |
64 | Triacontane | 65.933 | 3009 | 3003 | 0.44 | 0.36 | 0.27 |
65 | Pectolinaringenin, TMS derivative | 66.108 | 3021 | 3037 | 0.54 | 0.41 | 0.38 |
66 | Hexacosanoic acid, TMS derivative | 66.367 | 3041 | 3039 | 0.7 | 0.18 | 1.84 |
67 | Nonacosan-10-ol, O-TMS | 66.840 | 3078 | 3048 | 2.59 | 0.64 | - |
68 | Nonacosan-9-ol, O-TMS | 66.925 | 3085 | 3053 | 2.13 | 1.06 | 0.91 |
69 | Hentriacontane | 67.132 | 3100 | 3103 | 0.36 | 0.2 | 0.83 |
70 | Kaempferol, 4TMS | 67.298 | 3114 | 3112 | 0.29 | 0.86 | 0.77 |
71 | Trimethylsilyl octacosanoate, TMS derivative | 69.220 | 3256 | 3229 | 0.52 | 0.2 | 0.52 |
72 | Methyl triacontyl ether | 69.512 | 3275 | 3233 | 8.38 | 0.97 | 0.44 |
RI (retention time); RIexp. and RIlit. indicate retention indices based on experiments and literature, respectively.