Table 2.
Relative % c | |||||||
---|---|---|---|---|---|---|---|
Nº | Compound | RT (min) | LRI a | LRI b | Ct | Sm | Ul |
1 | (E)-2-Pentenal | 6.27 | 750 | 744 | - | - | 0.086 ± 0.002 |
2 | 4-Methyl-2-pentanol | 6.42 | 754 | 745 | - | - | 0.0063 ± 0.0002 |
3 | Toluene | 6.69 | 763 | 756 | - | - | 0.143 ± 0.004 |
4 | Hexanal or n-Caproylaldehyde | 7.92 | 800 | 801 | 0.196 ± 0.001 | 0.44 ± 0.02 | 0.23 ± 0.01 |
5 | Furfural | 9.24 | 828 | 828 | 0.19 ± 0.01 | 0.069 ± 0.002 | - |
6 | 4-Hexen-3-one | 9.41 | 832 | - | - | - | 0.075 ± 0.001 |
7 | 3-Hexen-2-one | 9.73 | 839 | 834 * | - | - | 0.046 ± 0.003 |
8 | (E)-2-Hexenal | 10.17 | 848 | 846 | 0.085 ± 0.003 | 0.35 ± 0.01 | 0.347 ± 0.003 |
9 | 2-Furanmethanol | 10.37 | 852 | 853 * | 0.57± 0.01 | - | - |
10 | 1-Hexanol | 11.11 | 868 | 863 | - | 0.063 ± 0.005 | 0.023 ± 0.001 |
11 | 4-Cyclopentene-1,3-dione | 11.67 | 880 | 880 * | 0.6 ± 0.01 | 0.02 ± 0 | - |
12 | 2-Heptanone | 12.05 | 888 | 889 | - | 0.029 ± 0.001 | 0.35 ± 0.01 |
13 | cis-4-Heptenal | 12.47 | 897 | 893 | - | 0.115 ± 0.005 | 0.28 ± 0.01 |
14 | n-Heptanal | 12.57 | 900 | 901 | 0.29 ± 0.01 | 0.136 ± 0.003 | 0.293 ± 0.002 |
15 | Acetylfuran | 12.99 | 908 | 909 | 0.2 ± 0.005 | 0.176 ± 0.002 | - |
16 | 2-Cyclohexen-1-one | 13.98 | 927 | 927 * | 0.102 ± 0.002 | - | - |
17 | α-Pinene | 14.20 | 931 | 932 | - | 0.0151 ± 0.0001 | - |
18 | Cyclohexen-2-one | 14.22 | 931 | - | - | - | 0.07 ± 0.001 |
19 | Hept-3-en-2-one | 14.37 | 934 | 927 | - | 0.038 ± 0.004 | 0.052 ± 0.003 |
20 | Benzaldehyde | 15.00 | 956 | 952 | 0.31 ± 0.01 | 0.38 ± 0.01 | 0.569 ± 0.004 |
21 | 5-Methyl-furfural | 15.71 | 960 | 957 | 0.737 ± 0.001 | 0.988 ± 0.02 | 3.39 ± 0.05 |
22 | 3,5,5-Trimethyl-2-hexene | 16.47 | 975 | - | - | - | 0.192 ± 0.004 |
23 | 1-Octen-3-ol | 16.63 | 978 | 974 | 0.103 ± 0.004 | 0.2036 ± 0.0001 | - |
24 | 2-methyl-3-Octanone | 16.91 | 983 | 985 * | - | 0.318 ± 0.004 | - |
25 | 6-Methyl-5-heptene-2-one | 16.99 | 985 | 986 * | - | 0.056 ± 0.004 | - |
26 | 3-Methyl-3-cyclohexen-1-one | 17.00 | 985 | - | - | - | 0.69 ± 0.02 |
27 | Octanal | 17.81 | 1000 | 998 | 0.206 ± 0.003 | - | - |
28 | Pyrrole-2-carboxaldehyde | 18.12 | 1006 | 1008 * | - | 0.17 ± 0.01 | - |
29 | (E,E)-2,4-Heptadienal | 18.16 | 1007 | 1005 | 0.29 ± 0.01 | 0.09 ± 0.01 | 0.466 ± 0.003 |
30 | 4-Oxohex-2-enal | 19.49 | 1033 | - | 1.43 ± 0.03 | - | |
31 | 2,2,6-Trimethyl-Cyclohexanone | 19.56 | 1034 | 1036 * | - | - | 0.83 ± 0.04 |
32 | Benzeneacetaldehyde | 19.93 | 1041 | 1036 | 1.9 ± 0.03 | 4.62 ± 0.04 | 0.822 ± 0.003 |
33 | γ-Hexalactone | 20.39 | 1050 | 1047 | - | 0.42 ± 0.01 | 1.14 ± 0.01 |
34 | 2,4,4-Trimethyl-2-cyclohexen-1-ol | 20.42 | 1051 | - | 0.65 ± 0.01 | - | - |
35 | (E)-2-Octenal | 20.66 | 1055 | 1049 | 0.104 ± 0.001 | 0.149 ± 0.01 | - |
36 | (R)-3,5,5-Trimethylcyclohex-3-en-1-ol | 21.09 | 1063 | - | - | - | 0.187 ± 0.003 |
37 | 3-Methyl-benzaldehyde | 21.27 | 1067 | 1064 | - | - | 0.26 ± 0.01 |
38 | 1-Octanol | 21.39 | 1069 | 1063 | 0.23 ± 0.004 | - | - |
39 | 3,5-Octadien-2-one | 22.60 | 1093 | 1093 | - | - | 0.63 ± 0.02 |
40 | Phenylethyl Alcohol | 23.49 | 1110 | 1115 * | - | 1.14 ± 0.02 | - |
41 | Isophorone | 23.95 | 1120 | 1118 | - | - | 0.51 ± 0.01 |
42 | 4-Oxoisophorone | 25.01 | 1141 | 1142 * | 0.29 ± 0.01 | 0.813 ± 0.005 | 0.341 ± 0.01 |
43 | Isomenthone | 25.56 | 1152 | 1162 * | - | 0.485 ± 0.003 | - |
44 | 2,6-Nonadienal, (E,Z) | 25.61 | 1153 | 1150 | - | - | 0.35 ± 0.005 |
45 | (E)-2-Nonenal | 25.81 | 1157 | 1157 | 0.279 ± 0.005 | - | - |
46 | 1-Phenyl-1-propanone | 26.19 | 1165 | - | - | - | 0.49 ± 0.01 |
47 | 2,2,6-Trimethyl-1,4-cyclohexanedione | 26.33 | 1167 | - | - | - | 0.274 ± 0.003 |
48 | 2,4-Dimethyl-benzaldehyde | 26.67 | 1175 | 1175 * | - | - | 0.305 ± 0.01 |
49 | 1-(4-Methylphenyl)-ethanone | 27.02 | 1181 | 1182 | 0.43 ± 0.01 | - | - |
50 | p-Methylacetophenone | 27.15 | 1184 | 1179 | - | - | 0.54 ± 0.03 |
51 | Safranal | 27.82 | 1198 | 1197 | 0.97 ± 0.01 | - | 1.8 ± 0.1 |
52 | β-Cyclocitral | 28.84 | 1219 | 1219 | - | 0.479 ± 0.001 | 0.614 ± 0.002 |
53 | Ethylmethylmaleimide | 29.67 | 1237 | 1234 | 1.562 ± 0.03 | 3.69 ± 0.03 | 0.59 ± 0.01 |
54 | Pulegone | 29.73 | 1238 | 1233 | - | 0.375 ± 0.003 | - |
55 | 2,6,6-Trimethyl-1-Cyclohexene-1-acetaldehyde | 30.70 | 1259 | 1253 * | - | - | 0.53 ± 0.01 |
56 | 2,3,6-Trimethyl-7-octen-3-ol | 31.53 | 1277 | - | - | 1.846 ± 0.01 | - |
57 | Indole | 32.47 | 1297 | 1290 | - | - | 1.026 ± 0.003 |
58 | Carvacrol | 32.69 | 1302 | 1298 | 0.98 ± 0.02 | - | - |
59 | γ-Amylbutyrolactone | 35.29 | 1361 | 1362 * | - | 1.03 ± 0.02 | - |
60 | Capric acid | 35.97 | 1376 | - | 1.15 ± 0.02 | - | - |
61 | Fumaric acid, ethyl 2-methylallyl ester | 36.27 | 1383 | - | - | 1.45 ± 0.03 | - |
62 | β-Caryophyllene | 37.91 | 1421 | 1417 | - | 0.02 ± 0.004 | - |
63 | α-Ionone | 38.22 | 1428 | 1428 | 3.23 ± 0.02 | 3.07 ± 0.03 | 1.1 ± 0.01 |
64 | Nerylacetone | 39.27 | 1454 | 1434 | - | - | 0.26 ± 0.01 |
65 | β-Ionone | 40.88 | 1492 | 1488 | 1.3 ± 0.03 | - | 7.6 ± 0.2 |
66 | Dihydroactinidiolide | 42.49 | 1536 | 1538 * | 6.577 ± 0.004 | 6.971 ± 0.003 | 7.8 ± 0.2 |
67 | Lauric acid | 43.66 | 1562 | 1565 | 2.9 ± 0.1 | 0.49 ± 0.01 | 1.2 ± 0.1 |
68 | Fumaric acid, ethyl 2-Methylallyl ester | 44.46 | 1583 | - | - | - | 3.0 ± 0.1 |
69 | Tridecanoic acid | 47.61 | 1666 | 1662 | - | - | 0.1979 ± 0.0003 |
70 | 3-Keto-β-ionone | 47.77 | 1670 | 1661 * | - | 1.29 ± 0.02 | - |
71 | 4-(4-hydroxy-2,2,6-trimethyl-7-oxabicyclo[4.1.0]hept-1-yl)-3-Buten-2-one | 48.40 | 1687 | 1690 | - | 1.2 ± 0.1 | - |
72 | Heptadecane | 48.77 | 1697 | 1700 | 4.14 ± 0.04 | - | - |
73 | Pentadecanal | 49.37 | 1711 | 1713 | - | - | 0.27 ± 0.01 |
74 | Myristic acid | 50.61 | 1769 | 1765 * | 2.2 ± 0.1 | 2.16 ± 0.01 | 1.855 ± 0.001 |
75 | Pentadecanoic acid | 51.81 | 1820 | 1869 | - | - | 0.121 ± 0.004 |
76 | Hexahydrofarnesyl acetone | 52.07 | 1847 | - | 5.1 ± 0.1 | - | - |
77 | 2-Pentadecanone, 6,10,14-trimethyl | 52.11 | 1843 | 1847 | - | - | 0.23 ± 0.01 |
78 | Methyl 4,7,10,13-hexadecatetraenoate | 52.68 | 1885 | - | - | - | 0.15 ± 0.01 |
79 | Eicosane | 52.80 | 1895 | - | 0.22 ± 0.02 | - | - |
80 | Palmitoleic acid | 53.41 | 1948 | 1953* | - | 7.8 ± 0.1 | - |
81 | Eicosapentaenoic acid | 53.57 | 1962 | - | - | - | 8.0 ± 0.2 |
82 | Palmitic acid | 53.64 | 1968 | 1959 | 7.7 ± 0.1 | 0.73 ± 0.01 | 2.887 ± 0.02 |
83 | Phytol | 55.00 | 2113 | 2111 * | 4.1 ± 0.1 | 0.38 ± 0.03 | 0.23 ± 0.01 |
84 | Linolenic acid | 55.36 | 2159 | 2134 * | - | - | 1.2 ± 0.1 |
85 | Eicosanal | 55.83 | 2223 | 2224 | 0.7 ± 0.1 | - | - |
86 | 1-Hexacosanol | 56.25 | 2283 | 2906 | 1.39 ± 0.05 | - | - |
87 | Henicosanal | 56.52 | 2325 | 2329 | 0.89 ± 0.04 | - | - |
88 | Docosanal | 57.15 | 2427 | 2434 | 1.38 ± 0.04 | - | - |
89 | 1-Docosanol | 57.51 | 2488 | 2470 | 2.423 ± 0.004 | - | - |
90 | Tricosanal | 57.75 | 2529 | 2534 | 2.8 ± 0.1 | - | - |
91 | Bis (2-ethylhexyl) phthalate | 57.95 | 2562 | 2550 * | - | - | 0.5 ± 0.1 |
Total identified (%) | 59.6 ± 0.1 | 45.7 ± 0.1 | 55 ± 1 | ||||
Not identified (%) | 40.4 ± 0.1 | 54.3 ± 0.1 | 45 ± 1 |
a LRI, linear retention index determined on a DB-5 MS fused silica column relative to a series of n-alkanes (C8–C40). b Linear retention index reported in literature (Adams, 2017). c Relative % is given as mean ± SD, n = 3. * NIST Standard Reference Database 69: NIST Chemistry WebBook. Ct. Cystoseira tamariscifolia; Sm. Sargassum muticum; Ul. Ulva lactuca.