Table A3.
Substances | RT | RI exp | RI lit | HEEP_P1[%] | HEEP_P2[%] | HEEP_P3[%] | |
---|---|---|---|---|---|---|---|
1 | Benzyl alcohol, TMS derivative | 6.112 | 1155 | 1152 | 0.09 | 0.04 | 0.08 |
2 | Benzoic Acid, TMS derivative | 8.797 | 1246 | 1249 | 3.16 | 1.24 | 1.27 |
3 | Cinnamaldehyde | 9.905 | 1272 | 1274 | 0.04 | 0.08 | 0.06 |
4 | Glycerol, TMS | 10.170 | 1287 | 1289 | 0.87 | 1.05 | 1.8 |
5 | Butanedioic acid, 2TMS derivative | 11.465 | 1320 | 1321 | 0.12 | 0.05 | 0.18 |
6 | 1-Monoacetin, 2O-TMS | 11.748 | 1326 | 1324 | 0.14 | 0.06 | 0.09 |
7 | 4-Hydroxybenzaldehyde, TMS derivative | 13.748 | 1373 | 1383 | 0.26 | 0.19 | 0.14 |
8 | Hydroquinone, 2TMS derivative | 15.325 | 1409 | 1408 | 0.4 | 0.22 | 0.13 |
9 | Cinnamyl alcohol, trimethylsilyl ether | 16.273 | 1422 | 1428 | - | 0.02 | 0.03 |
10 | Malic acid, 3TMS derivative | 20.282 | 1511 | 1497 | 0.12 | 0.12 | 0.81 |
11 | 5-Oxoproline, TMS derivative | 20.693 | 1521 | 1527 | 0.12 | 0.06 | 0.05 |
12 | Vanillin, TMS derivative | 21.640 | 1537 | 1530 | 1.82 | 0.46 | 0.27 |
13 | Cinnamic acid, TMS derivative | 22.043 | 1545 | 1542 | 0.07 | 0.05 | 0.15 |
14 | 3,4-Dihydroxybenzaldehyde, | 26.045 | 1622 | 1612 | - | 0.13 | 0.27 |
15 | 4-Hydroxybenzoic acid, 2TMS derivative | 26.638 | 1634 | 1635 | 0.48 | 0.22 | 0.18 |
16 | Dodecanoic acid, TMS | 27.668 | 1658 | 1655 | 0.14 | 0.02 | 0.08 |
17 | β-D-Xylopyranose, 4TMS derivative | 34.563 | 1784 | 1777 | 0.13 | 0.03 | 0.03 |
18 | o-Coumaric acid, 2TMS derivative | 34.968 | 1797 | 1815 | 0.28 | 0.25 | 0.09 |
19 | 4-Methoxycinnamic acid, TMS derivative | 36.602 | 1830 | 1833 | - | 0.08 | 0.26 |
20 | D-Psicofuranose | 37.475 | 1848 | 1837 | 1.46 | 1.59 | 2.24 |
21 | D-Fructose, 5TMS derivative | 37.865 | 1856 | 1866 | 12.58 | 11.92 | 2.03 |
22 | D-Sorbitol, 6TMS derivative | 41.092 | 1922 | 1920 | 0.16 | 0.1 | - |
23 | D-Glucose, 5TMS derivative | 41.658 | 1934 | 1928 | 7.14 | 11.9 | 8.27 |
24 | 4-Coumaric acid, 2TMS derivative | 42.252 | 1947 | 1949 | 16.74 | 13.52 | 10.74 |
25 | D-Glucitol, 6TMS derivative | 43.917 | 1982 | 1980 | 0.43 | 0.25 | 0.44 |
26 | Gallic acid, 4TMS derivative | 44.125 | 1987 | 1987 | 0.68 | 0.13 | - |
27 | Salicylic acid, trimethylsilyl ether, benzyl ester | 45.932 | 2028 | 2025 | 0.1 | 0.08 | 0.2 |
28 | D-Mannopyranose, 5TMS derivative | 46.353 | 2038 | 2037 | 6.33 | 13.13 | 9.13 |
29 | D-Gluconic acid, 6TMS derivative | 46.885 | 2052 | 2043 | 0.15 | 0.2 | 0.08 |
30 | Palmitic Acid, TMS derivative | 47.083 | 2057 | 2050 | 0.49 | 0.18 | 0.09 |
31 | Isoferulic acid, 2TMS derivative | 48.453 | 2090 | 2081 | 0.09 | 0.78 | 2.95 |
32 | Ferulic acid, 2TMS derivative | 48.965 | 2103 | 2103 | 7.93 | 3.02 | 3.86 |
33 | Myo-Inositol, 6TMS derivative | 49.845 | 2132 | 2129 | 0.09 | 0.13 | 1.3 |
34 | Phtalic acid derivative* | 50.403 | 2150 | - | 0.7 | 0.24 | 0.03 |
35 | Caffeic acid, 3TMS derivative | 50.565 | 2157 | 2155 | 0.89 | 0.83 | 0.03 |
36 | Linoleic acid, TMS | 51.922 | 2203 | 2212 | 1.31 | 2.48 | 4.6 |
37 | 13-Octadecenoic acid, (E)-, TMS derivative | 52.392 | 2222 | 2228 | 0.17 | 1.77 | 0.06 |
38 | 3,7,11,15-Tetramethyl-2,6,10,14-hexadecatetraene-1-ol trimethylsilyl ether | 52.703 | 2236 | 2234 | 1.01 | 0.07 | 0.07 |
39 | 2’,6’-Dihydroxy 4’-methoxydihydrochalcone, trimethylsilyl ether | 52.717 | 2418 | 2405 | - | 1.99 | 0.1 |
40 | Pterostilbene, trimethylsilyl ether | 57.520 | 2462 | - | 0.43 | 0.77 | 2.58 |
41 | Pentacosane | 58.563 | 2501 | 2506 | 5.85 | 0.44 | 0.87 |
42 | Ethyl trans-caffeate, bis(tert-butyldimethylsilyl) ether | 58.560 | 2527 | 2547 | - | 3.55 | 2.22 |
43 | Bisphenol* | 59.088 | 2551 | 1.65 | 0.13 | 0.12 | |
44 | 1-Docosanol, TMS derivative | 59.223 | 2558 | 2557 | 0.19 | 4.51 | 4.76 |
45 | Butanoic acid, 4-methoxy-2-nitro-, 2,6-bis(1,1-dimethylethyl)-4-methoxyphenyl ester | 59.998 | 2604 | 2595 | 0.72 | 0.32 | 0.67 |
46 | Unknown | 60.475 | 2635 | 0.99 | 0.84 | 3.44 | |
47 | Behenic acid, TMS derivative | 60.550 | 2645 | 2644 | 0.31 | 0.94 | 0.83 |
48 | Unknown | 60.947 | 2664 | 0.95 | 1.73 | 2.77 | |
49 | Unknown | 61.285 | 2685 | 3.22 | 0.69 | 1.67 | |
50 | Maltose, 8TMS derivative, isomer 2 | 61.422 | 2693 | 2693 | 1.83 | 3.42 | 5.26 |
51 | n-Heptacosane | 61.537 | 2700 | 2700 | 0.21 | 0.11 | 0.31 |
52 | Sucrose, 8TMS derivative | 61.705 | 2712 | 2712 | 5.88 | 0.52 | 2.61 |
53 | D-(+)-Turanose, octakis(trimethylsilyl) ether, methyloxime (isomer 1) | 61.937 | 2727 | 2724 | 0.71 | 2.66 | 4.98 |
54 | Maltose, OTMS | 62.040 | 2735 | 2733 | 0.29 | 0.13 | 0.12 |
55 | D-Cellobiose, (isomer 2), 8TMS derivative | 62.262 | 2749 | 2762 | 1.51 | 0.32 | 1.3 |
56 | Naringenin, O,O’-bis(trimethylsilyl)- | 62.617 | 2772 | 2778 | 1.14 | 4.1 | 5.95 |
57 | Isosakuranetin, TMS derivative | 63.352 | 2821 | 2818 | 0.94 | 1.37 | 2.13 |
58 | Lignoceric acid, TMS derivative | 63.650 | 2842 | 2838 | 1.22 | 1.68 | 0.44 |
59 | Sakuranetin, TMS derivative | 64.215 | 2882 | 2877 | 1.75 | 0.64 | 0.11 |
60 | Catechine, 5TMS derivative | 64.880 | 2932 | 2938 | 0.33 | 0.11 | 0.07 |
61 | Gettibiose, TMS derivative | 65.720 | 2991 | 2989 | 0.76 | 0.36 | 0.66 |
62 | Triacontane | 65.948 | 3009 | 3003 | 0.78 | 0.4 | 0.35 |
63 | Hexacosanoic acid, TMS derivative | 66.375 | 3041 | 3039 | 0.5 | 0.69 | 2.04 |
64 | Unknown | 66.975 | 3085 | - | 0.66 | 0.61 | 0.74 |
65 | Hentriacontane | 67.137 | 3100 | 3103 | 0.49 | 0.23 | 0.77 |
RI (retention time); RIexp. and RIlit. indicate retention indices based on experiments and literature, respectively.