Table 4.
Peak | Compound | LRI (lib) | LRI (exp) | Similarity (%) | Library |
---|---|---|---|---|---|
1 | Isobutyric acid | 752 | 740 | 83 | FFNSC 4.0 |
2 | 3-Hexanone | 782 | 781 | 93 | FFNSC 4.0 |
3 | Butyl methyl ketone | 786 | 787 | 98 | FFNSC 4.0 |
4 | 3-Hexanol | 795 | 798 | 91 | FFNSC 4.0 |
5 | 2-Hexanol | 802 | 801 | 92 | FFNSC 4.0 |
6 | Isovaleric acid | 842 | 838 | 97 | FFNSC 4.0 |
7 | 2-methylbutanoic acid | 881 | 849 | 94 | FFNSC 4.0 |
8 | n-Hexanol | 867 | 867 | 88 | FFNSC 4.0 |
9 | n-Pentanoic acid | 911 | 876 | 96 | FFNSC 4.0 |
10 | n-Heptanal | 906 | 903 | 90 | FFNSC 4.0 |
11 | (E)-Hept-2-enal | 956 | 957 | 93 | FFNSC 4.0 |
12 | n-Hexanoic acid | 997 | 980 | 96 | FFNSC 4.0 |
13 | 2-pentyl Furan | 991 | 992 | 86 | FFNSC 4.0 |
14 | n-Octanal | 1006 | 1004 | 91 | FFNSC 4.0 |
15 | Limonene | 1030 | 1030 | 93 | FFNSC 4.0 |
16 | Oct-3-en-2-one | 1036 | 1039 | 90 | FFNSC 4.0 |
17 | (E)-Oct-2-enal | 1058 | 1059 | 93 | FFNSC 4.0 |
18 | n-Nonanal | 1107 | 1105 | 96 | FFNSC 4.0 |
19 | methyl-Octanoate | 1125 | 1124 | 93 | FFNSC 4.0 |
20 | Benzenecarboxylic acid | 1213 | 1171 | 97 | FFNSC 4.0 |
21 | n-Octanoic acid | 1192 | 1176 | 96 | FFNSC 4.0 |
22 | ethyl-Octanoate | 1202 | 1196 | 95 | FFNSC 4.0 |
23 | n-Decanal | 1208 | 1207 | 91 | FFNSC 4.0 |
24 | methyl-Nonanoate | 1224 | 1224 | 88 | FFNSC 4.0 |
25 | (Z)-Dec-2-enal | 1250 | 1250 | 89 | FFNSC 4.0 |
26 | (E)-Dec-2-enal | 1265 | 1264 | 97 | FFNSC 4.0 |
27 | n-Nonanoic acid | 1289 | 1270 | 94 | FFNSC 4.0 |
28 | ethyl-Nonanoate | 1297 | 1295 | 93 | FFNSC 4.0 |
29 | Carvacrol | 1300 | 1302 | 92 | FFNSC 4.0 |
30 | n-Undecanal | 1309 | 1309 | 91 | FFNSC 4.0 |
31 | (E,E)-2,4-Decadienal | 1322 | 1321 | 89 | FFNSC 4.0 |
32 | methyl-Decanoate | 1327 | 1324 | 96 | FFNSC 4.0 |
33 | n-Decanoic acid | 1398 | 1372 | 97 | FFNSC 4.0 |
34 | ethyl-Decanoate | 1399 | 1395 | 97 | FFNSC 4.0 |
35 | methyl-Undecanoate | 1423 | 1424 | 95 | FFNSC 4.0 |
36 | n-Undecanoic acid | 1473 | 1466 | 95 | FFNSC 4.0 |
37 | ethyl-Undecanoate | 1498 | 1494 | 96 | FFNSC 4.0 |
38 | ethyl 9-oxononanoate | - | 1505 | - | W11N17 |
39 | methyl-Dodecanoate | 1527 | 1524 | 96 | FFNSC 4.0 |
40 | isobutyl-Decanoate | 1545 | 1545 | 92 | FFNSC 4.0 |
41 | n-Dodecanoic acid | 1581 | 1566 | 96 | FFNSC 4.0 |
42 | butyl-Decanoate | 1585 | 1586 | 88 | FFNSC 4.0 |
43 | ethyl-Dodecanoate | 1598 | 1594 | 97 | FFNSC 4.0 |
44 | n-Tetradecanal | 1614 | 1614 | 91 | FFNSC 4.0 |
45 | n-Tridecanoic acid | 1668 | 1663 | 93 | FFNSC 4.0 |
46 | Apiole | 1683 | 1679 | 92 | FFNSC 4.0 |
47 | Ethyl tridecanoate | - | 1694 | - | W11N17 |
48 | Tridecyl methyl ketone | 1697 | 1698 | 92 | FFNSC 4.0 |
49 | methyl-Tetradecanoate | 1727 | 1725 | 97 | FFNSC 4.0 |
50 | n-Tetradecanoic acid | 1773 | 1765 | 90 | FFNSC 4.0 |
51 | ethyl-Tetradecanoate | 1794 | 1794 | 98 | FFNSC 4.0 |
52 | Hexadecanal | - | 1818 | - | W11N17 |
53 | methyl pentadecanoate | - | 1825 | - | W11N17 |
54 | Neophytadiene | 1836 | 1837 | 93 | FFNSC 4.0 |
55 | Phytone | 1841 | 1842 | 94 | FFNSC 4.0 |
56 | Pentadecylic acid | 1869 | 1862 | 96 | FFNSC 4.0 |
57 | ethyl-Pentadecanoate | 1893 | 1893 | 94 | FFNSC 4.0 |
58 | methyl (Z)-9-hexadecenoate | - | 1904 | - | W11N17 |
59 | methyl (Z)-11-hexadecenoate | - | 1913 | - | W11N17 |
60 | methyl-Hexadecanoate | 1925 | 1926 | 96 | FFNSC 4.0 |
61 | 9-Hexadecenoic acid | - | 1944 | - | W11N17 |
62 | (Z)-11-Hexadecenoic acid | - | 1953 | - | W11N17 |
63 | n-Hexadecanoic acid | 1977 | 1971 | 95 | FFNSC 4.0 |
64 | Ethyl 9-hexadecenoate | - | 1982 | - | W11N17 |
65 | ethyl-Palmitate | 1993 | 1996 | 97 | FFNSC 4.0 |
66 | propyl hexadecanoate | - | 2090 | - | W11N17 |
67 | ethyl heptadecanoate | - | 2094 | - | W11N17 |
68 | methyl-Oleate | 2098 | 2100 | 93 | FFNSC 4.0 |
69 | methyl-Octadecanoate | 2127 | 2127 | 93 | FFNSC 4.0 |
70 | Linoleic acid | 2144 | 2139 | 95 | FFNSC 4.0 |
71 | Oleic acid | 2147 | 2142 | 90 | FFNSC 4.0 |
72 | (Z)-Vaccenic acid | - | 2150 | - | W11N17 |
73 | ethyl-Linoleate | 2164 | 2161 | 93 | FFNSC 4.0 |
74 | ethyl-Oleate | 2166 | 2168 | 87 | FFNSC 4.0 |
75 | ethyl-Stearate | 2198 | 2194 | 96 | FFNSC 4.0 |
76 | (Z)-9-Octadecenamide | - | 2363 | - | W11N17 |
77 | hexyl hexadecanoate | - | 2380 | - | W11N17 |
78 | ethyl-Eicosanoate | 2394 | 2395 | 90 | FFNSC 4.0 |
79 | n-Tetracosane | 2400 | 2400 | 87 | FFNSC 4.0 |
80 | n-Pentacosane | 2500 | 2500 | 90 | FFNSC 4.0 |
81 | benzyl hexadecanoate | - | 2581 | - | W11N17 |
82 | ethyl-Docosanoate | 2595 | 2595 | 87 | FFNSC 4.0 |
83 | n-Hexacosane | 2600 | 2600 | 90 | FFNSC 4.0 |
84 | ethyl docosanoate | - | 2581 | - | W11N17 |
85 | n-Heptacosane | 2700 | 2700 | 95 | FFNSC 4.0 |
86 | ethyl-Tetracosanoate | 2796 | 2796 | 88 | FFNSC 4.0 |
87 | n-Octacosane | 2800 | 2800 | 94 | FFNSC 4.0 |
88 | Squalene | 2810 | 2814 | 87 | FFNSC 4.0 |
89 | n-Nonacosane | 2900 | 2902 | 92 | FFNSC 4.0 |
90 | n-Triacontane | 3000 | 3000 | 85 | FFNSC 4.0 |
91 | Octacosanal | - | 3045 | - | W11N17 |
92 | 10-Nonacosanone | - | 3088 | - | W11N17 |
93 | n-Hentriacontane | 3100 | 3100 | 92 | FFNSC 4.0 |
94 | Octacosanol | - | 3111 | - | W11N17 |
95 | Vitamin E | - | 3131 | - | W11N17 |
96 | Triacontanal | - | 3250 | - | W11N17 |
97 | γ-Sitosterol | - | 3323 | - | W11N17 |