Acids |
n-Hexadecanoic acid | 73.1 | 1959 | 0.322 | 0.086 | 0.000 | 0.081 | 0.041 | 0.1028 |
1,6-Octadien-3-ol, 3,7-dimethyl-, formate | 93.1 | 1215 | 0.000 | 0.236 | 0.260 | 0.227 | 0.000 | 0.0785 |
Subtotal | | | 0.322 | 0.322 | 0.260 | 0.308 | 0.041 | 0.1412 |
Alcohols |
.α.-Terpineol | 59 | 1191 | 0.421 | 0.562 | 0.622 | 0.506 | 0.533 | 0.0538 |
1-Octanol | 56.1 | 1077 | 0.075b | 0.083b | 0.093ab | 0.133a | 0.104ab | 0.0102 |
1-Octen-3-ol | 57 | 969 | 1.349b | 1.372b | 2.666a | 2.498ab | 2.308ab | 0.2935 |
2,4-Di-tert-butylphenol | 191 | 1516 | 0.084ab | 0.033b | 0.129ab | 0.144a | 0.078ab | 0.0231 |
2-Octen-1-ol, (E)- | 57 | 1074 | 0.000b | 0.000b | 0.000b | 0.000b | 0.076a | 0.0141 |
2-Octen-1-ol, (Z)- | 57.1 | 1074 | 0.000b | 0.000b | 0.069ab | 0.148a | 0.081ab | 0.0210 |
3-Cyclohexen-1-ol, 4-methyl-1-(1-methylethyl)-, (R)- | 71.1 | 1179 | 0.000b | 0.000b | 0.000b | 0.223a | 0.000b | 0.0407 |
Benzenemethanol, .α.,.α.,4-trimethyl- | 135.1 | 1183 | 0.197 | 0.234 | 0.218 | 0.232 | 0.204 | 0.0229 |
Bicyclo[2.2.1]heptan-2-ol, 1,7,7-trimethyl-, (1S-endo)- | 95 | 1168 | 0.000b | 0.311a | 0.339a | 0.000b | 0.000b | 0.0626 |
cis-p-Mentha-2,8-dien-1-ol | 91 | 1139 | 0.016 | 0.028 | 0.029 | 0.031 | 0.026 | 0.0039 |
Cyclohexanol, 2,4-dimethyl- | 81.1 | 1044 | 0.000b | 0.048a | 0.000b | 0.000b | 0.000b | 0.0071 |
Isospathulenol | 119.1 | 1634 | 0.020 | 0.023 | 0.017 | 0.022 | 0.021 | 0.0059 |
Linalool | 71 | 1106 | 2.008 | 2.389 | 2.520 | 2.526 | 2.270 | 0.2670 |
p-Mentha-1,5-dien-8-ol | 94 | 1169 | 0.037b | 0.065ab | 0.081a | 0.052ab | 0.040b | 0.0069 |
Terpinen-4-ol | 71.1 | 1178 | 0.242b | 0.312b | 0.436a | 0.000c | 0.319b | 0.0265 |
Thymol | 135 | 1307 | 0.000b | 0.035a | 0.000b | 0.000b | 0.020a | 0.0037 |
Subtotal | | | 4.449b | 5.493ab | 7.219a | 6.508ab | 6.081ab | 0.5760 |
Aldehydes |
.α.-Thujenal | 79.1 | 1196 | 0.000b | 0.050a | 0.036ab | 0.049a | 0.000b | 0.1016 |
1,3-Cyclohexadiene-1-carboxaldehyde, 2,6,6-trimethyl- | 107.1 | 1208 | 0.194 | 0.273 | 0.242 | 0.245 | 0.216 | 0.0225 |
2,4-Decadienal, (E,E)- | 81 | 1320 | 0.000b | 0.057a | 0.000b | 0.000b | 0.000b | 0.0107 |
Benzeneacetaldehyde | 91 | 1043 | 0.211b | 0.299a | 0.245ab | 0.220b | 0.212b | 0.0183 |
Decanal | 57 | 1206 | 0.127b | 0.107b | 0.219ab | 0.311a | 0.215ab | 0.0304 |
Hexadecanal | 82 | 1815 | 0.028a | 0.015ab | 0.000b | 0.000b | 0.000b | 0.0047 |
Hexanal, 5-methyl- | 70.1 | 846 | 0.455b | 0.453b | 0.529ab | 0.712a | 0.608ab | 0.0459 |
Nonanal | 57.1 | 1110 | 1.275 | 1.573 | 1.336 | 1.813 | 1.830 | 0.1611 |
Octanal | 57 | 998 | 0.352c | 0.500bc | 0.579abc | 0.824a | 0.707ab | 0.0637 |
Piperonal | 149 | 1337 | 0.000b | 0.099a | 0.000b | 0.000b | 0.000b | 0.0206 |
Propanal, 2-methyl- | 43.1 | 544 | 0.534a | 0.148b | 0.268ab | 0.187b | 0.190b | 0.0682 |
Subtotal | | | 3.175b | 3.573ab | 3.455ab | 4.360a | 3.977ab | 0.2619 |
Esters |
11-Tetradecen-1-ol, acetate, (Z)- | 82 | 1815 | 0.000b | 0.000b | 0.000b | 0.012a | 0.008ab | 0.0021 |
6-Octenoic acid, 3,7-dimethyl-, methyl ester | 69.1 | 1265 | 0.000b | 0.013a | 0.000b | 0.000b | 0.000b | 0.0024 |
Arsenous acid, tris(trimethylsilyl) ester | 207 | 698 | 13.105a | 11.407b | 11.456b | 11.480b | 11.175b | 0.3553 |
Benzoyl isothiocyanate | 105 | 935 | 1.316 | 1.012 | 1.308 | 1.177 | 1.149 | 0.0934 |
Bicyclo[2.2.1]heptan-2-ol, 1,7,7-trimethyl-, acetate, (1S-endo)- | 95 | 1291 | 0.000c | 0.046b | 0.064a | 0.000c | 0.000c | 0.0013 |
Dibutyl phthalate | 149 | 1964 | 0.159 | 0.193 | 0.055 | 0.193 | 0.160 | 0.0477 |
Di-sec-butyl phthalate | 149 | 1871 | 0.016 | 0.024 | 0.033 | 0.027 | 0.023 | 0.0082 |
Hydrogen isocyanate | 43.1 | 532 | 0.096 | 0.088 | 0.129 | 0.170 | 0.100 | 0.0326 |
Methyl salicylate | 120.1 | 1194 | 0.229 | 0.830 | 1.670 | 1.374 | 1.213 | 0.5154 |
n-Caproic acid vinyl ester | 43 | 976 | 1.218 | 0.941 | 1.932 | 2.145 | 2.087 | 0.3183 |
Phthalic acid, di(2-propylpentyl) ester | 149 | 2544 | 0.050 | 0.000 | 0.000 | 0.000 | 0.026 | 0.0176 |
Subtotal | | | 16.190 | 14.556 | 16.647 | 16.578 | 15.942 | 0.5918 |
Hydrocarbons |
(−)-Aristolene | 105 | 1444 | 0.000b | 0.000b | 0.010a | 0.000b | 0.000b | 0.0012 |
.γ.-Muurolene | 161 | 1483 | 0.000 | 0.018 | 0.015 | 0.000 | 0.021 | 0.0063 |
Butylated Hydroxytoluene | 205 | 1518 | 0.028a | 0.000b | 0.000b | 0.000b | 0.000b | 0.0063 |
.α.-Calacorene | 157.1 | 1549 | 0.012 | 0.025 | 0.025 | 0.023 | 0.025 | 0.0040 |
.α.-Cubebene | 161.1 | 1354 | 0.031 | 0.082 | 0.061 | 0.062 | 0.056 | 0.0139 |
.α.-Guaiene | 93 | 1444 | 0.000 | 0.010 | 0.000 | 0.000 | 0.010 | 0.0027 |
.α.-Phellandrene | 93.1 | 995 | 0.787 | 1.473 | 1.477 | 1.393 | 1.306 | 0.1758 |
.β.-Myrcene | 93.1 | 983 | 0.313b | 1.204a | 1.361a | 0.679ab | 0.715ab | 0.1701 |
.β.-Ocimene | 93 | 1051 | 0.022 | 0.023 | 0.027 | 0.021 | 0.016 | 0.0079 |
.γ.-Terpinene | 93 | 1060 | 0.095b | 0.291a | 0.316a | 0.168b | 0.137b | 0.0190 |
1,3-Cyclohexadiene, 1-methyl-4-(1-methylethyl)- | 121 | 1011 | 0.117b | 0.257a | 0.273a | 0.153b | 0.145b | 0.0153 |
10,10-Dimethyl-2,6-dimethylenebicyclo [7.2.0]undecane | 120.1 | 1433 | 0.019b | 0.065a | 0.048ab | 0.050ab | 0.052ab | 0.0109 |
1-Pentene, 3-methyl- | 56 | 560 | 0.000 | 0.000 | 0.062 | 0.077 | 0.000 | 0.0207 |
2,3-Dimethyl-5-ethylpyrazine | 135.1 | 1091 | 0.543a | 0.000b | 0.000b | 0.000b | 0.000b | 0.0285 |
2,3-Dimethyldecane | 71 | 1101 | 0.000b | 0.000b | 0.070a | 0.093a | 0.054ab | 0.0154 |
2,4-Dimethyldodecane | 85 | 1268 | 0.141b | 0.160b | 0.372a | 0.336ab | 0.227ab | 0.0480 |
2,6,10-Trimethyltridecane | 71.1 | 1465 | 0.000b | 0.000b | 0.033ab | 0.040a | 0.000b | 0.0083 |
2,6-Dimethyldecane | 71.1 | 1114 | 0.000 | 0.000 | 0.444 | 0.576 | 0.000 | 0.1423 |
3,3-Dimethyl-1,2-epoxybutane | 55 | 632 | 0.000b | 0.285a | 0.374a | 0.461a | 0.463a | 0.0447 |
3-Carene | 93.1 | 1002 | 3.562 | 4.665 | 5.064 | 5.240 | 5.076 | 0.7144 |
4,11,11-Trimethyl-8-methylenebicyclo[7.2.0]undec-3-ene | 91 | 1455 | 0.012 | 0.036 | 0.026 | 0.028 | 0.032 | 0.0071 |
Azulene, 1,4-dimethyl-7-(1-methylethyl)- | 183.1 | 1781 | 0.003ab | 0.005a | 0.003ab | 0.000b | 0.000b | 0.0001 |
Benzene, 1,2,3,5-tetramethyl- | 119.1 | 1119 | 0.069 | 0.087 | 0.227 | 0.295 | 0.201 | 0.0579 |
Benzene, 1,2,4,5-tetramethyl- | 119.1 | 1123 | 0.098 | 0.091 | 0.113 | 0.126 | 0.091 | 0.0341 |
Benzene, 1,3-bis(1,1-dimethylethyl)- | 175.1 | 1258 | 0.702c | 1.109bc | 2.624ab | 2.744a | 1.740abc | 0.3580 |
Benzene, 1-ethyl-2,4-dimethyl- | 119.1 | 1081 | 0.000b | 0.000b | 0.150ab | 0.193a | 0.147ab | 0.0427 |
Benzene, 1-methyl-3-(1-methylethenyl)- | 132 | 1086 | 0.139 | 0.126 | 0.136 | 0.132 | 0.126 | 0.0156 |
Benzene, 1-methyl-3-(1-methylethyl)- | 119 | 1021 | 3.969 | 4.102 | 6.29 | 4.328 | 4.460 | 0.6447 |
Benzene, 1-methyl-4-propyl- | 105 | 1052 | 0.000c | 0.000c | 0.071ab | 0.085a | 0.045b | 0.0083 |
Bicyclo[2.2.1]hept-2-ene, 1,7,7-trimethyl- | 93 | 916 | 0.000c | 0.549a | 0.600a | 0.023bc | 0.054b | 0.0124 |
Bicyclo[3.1.1]heptane, 6,6-dimethyl-2-methylene-, (1S)- | 93 | 956 | 0.950c | 1.959ab | 2.142a | 1.344bc | 1.372bc | 0.1615 |
Bicyclo[5.2.0]nonane, 2-methylene-4,8,8-trimethyl-4-vinyl- | 133 | 1424 | 0.983b | 2.950a | 2.095ab | 2.494ab | 2.288ab | 0.4394 |
Copaene | 161.1 | 1380 | 0.285 | 0.877 | 0.614 | 0.719 | 0.604 | 0.1420 |
Cyclohexane, 1-ethenyl-1-methyl-2, 4-bis(1-methylethenyl)-, [1S-(1.α.,2.β.,4.β.)]- | 93 | 1395 | 0.020 | 0.069 | 0.051 | 0.062 | 0.046 | 0.0121 |
Cyclohexene, 1-methyl-4-(1-methylethylidene)- | 121 | 1092 | 0.000c | 0.418ab | 0.427ab | 0.559a | 0.364b | 0.0361 |
Cyclohexene, 4-ethenyl-4-methyl-3-(1-methylethenyl)-1-(1-methylethyl)-, (3R-trans)- | 121 | 1343 | 0.481 | 1.268 | 1.018 | 1.144 | 0.851 | 0.2083 |
Cyclotetrasiloxane, octamethyl- | 281 | 1003 | 32.644a | 22.433b | 26.495ab | 30.233ab | 22.745b | 2.0538 |
Decane | 57.1 | 994 | 2.460b | 3.690ab | 7.117a | 7.784a | 6.360ab | 1.0815 |
Decane, 2,4,6-trimethyl- | 71 | 1121 | 0.000b | 0.000b | 0.094a | 0.000b | 0.000b | 0.0120 |
Decane, 2,9-dimethyl- | 57.1 | 1134 | 0.000 | 0.000 | 0.023 | 0.028 | 0.000 | 0.0071 |
Decane, 2-methyl- | 57 | 1062 | 0.506 | 0.781 | 0.305 | 1.388 | 0.609 | 0.3615 |
Decane, 3-methyl- | 57 | 1067 | 0.233b | 0.252b | 0.492ab | 0.758a | 0.452ab | 0.0934 |
Decane, 4-methyl- | 71.1 | 1065 | 0.000c | 0.267b | 0.540a | 0.605a | 0.385ab | 0.0550 |
Decane, 5-methyl- | 57.1 | 1062 | 0.000b | 0.000b | 1.668a | 0.000b | 0.000b | 0.0573 |
Dodecane | 57 | 1200 | 0.844b | 1.587ab | 3.133a | 2.730ab | 2.320ab | 0.5397 |
Dodecane, 2,6,11-trimethyl- | 71 | 1284 | 0.190b | 0.213b | 0.514a | 0.475ab | 0.308ab | 0.0689 |
Dodecane, 2,7,10-trimethyl- | 71 | 1306 | 0.031 | 0.056 | 0.123 | 0.107 | 0.062 | 0.0257 |
Dodecane, 4,6-dimethyl- | 71.1 | 1330 | 0.083 | 0.086 | 0.207 | 0.172 | 0.139 | 0.0441 |
Heptane, 2,3,4-trimethyl- | 57 | 943 | 0.000b | 0.076ab | 0.114ab | 0.187a | 0.089ab | 0.0400 |
Heptane, 3,4-dimethyl- | 57.1 | 844 | 0.000b | 0.000b | 0.000b | 0.000b | 0.088a | 0.0169 |
Heptane, 4-ethyl- | 57.1 | 843 | 0.000b | 0.000b | 0.000b | 0.106a | 0.000b | 0.0194 |
Hexane, 3-ethyl- | 43.1 | 766 | 0.354 | 0.477 | 0.800 | 1.061 | 0.598 | 0.1998 |
Humulene | 93.1 | 1460 | 0.123 | 0.410 | 0.297 | 0.382 | 0.387 | 0.0718 |
Humulene epoxide I | 93.1 | 1589 | 0.000b | 0.009a | 0.009a | 0.015a | 0.011a | 0.0020 |
Methane, dichloronitro- | 83.1 | 558 | 0.077b | 0.065b | 0.068b | 0.179a | 0.064b | 0.0184 |
Methane, isocyanato- | 57.1 | 553 | 0.127 | 0.022 | 0.120 | 0.080 | 0.000 | 0.0474 |
Naphthalene, 1,2,3,5,6,8a-hexahydro-4,7-dimethyl-1-(1-methylethyl)-, (1S-cis)- | 159.1 | 1529 | 0.032b | 0.158a | 0.143ab | 0.146a | 0.140ab | 0.0266 |
Naphthalene, 1,6-dimethyl-4-(1-methylethyl)- | 183 | 1682 | 0.003a | 0.000b | 0.000b | 0.000b | 0.000b | 0.0006 |
Naphthalene, decahydro-4a-methyl-1-methylene-7-(1-methylethenyl)-, [4aR-(4a.α.,7.α.,8a.β.)]- | 105 | 1493 | 0.000b | 0.038a | 0.037a | 0.033ab | 0.019ab | 0.0080 |
Nonane, 2,5-dimethyl- | 57.1 | 1018 | 0.266c | 0.329bc | 0.712ab | 0.849a | 0.498abc | 0.1028 |
Nonane, 2,6-dimethyl- | 71 | 1022 | 0.433b | 0.522b | 1.089ab | 1.326a | 0.775ab | 0.1568 |
Nonane, 3-methyl- | 57.1 | 956 | 0.000b | 0.000b | 0.095ab | 0.132a | 0.106ab | 0.0272 |
Nonane, 4,5-dimethyl- | 57.1 | 1033 | 0.000 | 0.000 | 0.070 | 0.059 | 0.059 | 0.0208 |
Nonane, 5-methyl-5-propyl- | 57.1 | 1247 | 0.027 | 0.043 | 0.000 | 0.000 | 0.042 | 0.0109 |
Octane, 2,3-dimethyl- | 57 | 947 | 0.000b | 0.000b | 0.228a | 0.181ab | 0.000b | 0.0538 |
Octane, 2,4,6-trimethyl- | 57.1 | 963 | 0.170b | 0.162b | 0.353ab | 0.451a | 0.251ab | 0.0644 |
Pentadecane | 71.1 | 1499 | 0.065 | 0.035 | 0.056 | 0.083 | 0.033 | 0.0176 |
Pyrazine, 2,3-diethyl-5-methyl- | 150.1 | 1159 | 0.036a | 0.036a | 0.039a | 0.021ab | 0.000b | 0.0049 |
Pyrazine, 2-ethyl-6-methyl- | 121.1 | 989 | 0.518b | 0.705a | 0.483b | 0.328c | 0.287c | 0.0348 |
Pyrazine, 3,5-diethyl-2-methyl- | 149 | 1161 | 0.171a | 0.142a | 0.158a | 0.105b | 0.080b | 0.0068 |
Pyrazine, 3-ethyl-2,5-dimethyl- | 135 | 1083 | 1.383a | 1.182a | 1.267a | 0.886b | 0.661c | 0.0508 |
Pyrazine, trimethyl- | 122.1 | 993 | 1.230a | 0.000b | 0.000b | 0.000b | 0.000b | 0.2405 |
Tetradecane | 57.1 | 1400 | 0.246 | 0.169 | 0.410 | 0.306 | 0.256 | 0.0708 |
trans-.α.-Bergamotene | 93 | 1425 | 0.000b | 0.000b | 1.203a | 0.000b | 0.000b | 0.2197 |
trans-.β.-Ocimene | 93 | 1052 | 0.000b | 0.026a | 0.000b | 0.000b | 0.000b | 0.0048 |
Tricyclo[2.2.1.0(2,6)]heptane, 1,3,3-trimethyl- | 93.1 | 894 | 0.390b | 3.729a | 3.917a | 0.563b | 0.712b | 0.1046 |
Tridecane | 57 | 1304 | 0.073 | 0.037 | 0.067 | 0.077 | 0.067 | 0.0142 |
Undecane, 2,4-dimethyl- | 85.1 | 1211 | 0.027bc | 0.000c | 0.103a | 0.099a | 0.066ab | 0.0125 |
Undecane, 2,7-dimethyl- | 85.1 | 1219 | 0.000b | 0.000b | 0.048a | 0.044a | 0.026a | 0.0059 |
Undecane, 2,8-dimethyl- | 71.1 | 1223 | 0.050 | 0.083 | 0.112 | 0.111 | 0.064 | 0.0369 |
Undecane, 2-methyl- | 57.1 | 1167 | 0.039c | 0.060bc | 0.141a | 0.129ab | 0.068abc | 0.0184 |
Undecane, 3-methyl- | 57.1 | 1173 | 0.000b | 0.000b | 0.000b | 0.046a | 0.000b | 0.0058 |
Undecane, 5-methyl- | 71.1 | 1160 | 0.027b | 0.072ab | 0.161a | 0.142a | 0.112ab | 0.0267 |
D-Limonene | 68 | 1025 | 3.020b | 5.192ab | 6.207a | 4.460ab | 4.494ab | 0.5276 |
Subtotal | 0 | 0 | 59.257c | 65.350abc | 85.835a | 80.518ab | 64.155bc | 4.9970 |
Ketones |
Ethanone, 1-(1H-pyrrol-2-yl)- | 109 | 1064 | 0.060ab | 0.079a | 0.067ab | 0.030b | 0.049ab | 0.0106 |
(+)-2-Bornanone | 95 | 1147 | 0.141c | 1.084b | 2.171a | 0.192c | 0.473c | 0.0909 |
2-Cyclohexen-1-one, 3-methyl-6-(1-methylethyl)- | 82.1 | 1257 | 0.133 | 0.134 | 0.171 | 0.179 | 0.152 | 0.2333 |
4,7,7-Trimethylbicyclo[4.1.0]hept-3-en-2-one | 150 | 1316 | 0.034 | 0.047 | 0.039 | 0.043 | 0.038 | 0.0045 |
4-Methyleneisophorone | 150 | 1255 | 0.058 | 0.077 | 0.089 | 0.094 | 0.082 | 0.0141 |
Carvone | 82.1 | 1247 | 0.000b | 0.000b | 0.023a | 0.000b | 0.000b | 0.0044 |
Cyclohexanone, 2-methylene-5-(1-methylethyl)- | 82 | 1250 | 0.015 | 0.021 | 0.023 | 0.017 | 0.013 | 0.0061 |
D-Carvone | 82.1 | 1246 | 0.023a | 0.040a | 0.000b | 0.021ab | 0.034a | 0.0053 |
Subtotal | 0 | 0 | 0.464c | 1.481b | 2.582a | 0.577c | 0.840c | 0.1066 |
Sulfur compounds |
Cyclic octaatomic sulfur | 64 | 2031 | 0.040b | 0.118ab | 0.174a | 0.132a | 0.177a | 0.0216 |
Sulfur dioxide | 64 | 537 | 0.000b | 1.180a | 0.000b | 0.000b | 0.000b | 0.2172 |
Subtotal | 0 | 0 | 0.040b | 1.297a | 0.174b | 0.132b | 0.177b | 0.2170 |
Total | 0 | 0 | 83.897c | 92.073bc | 116.173a | 108.981ab | 91.213bc | 5.4165 |