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. 2017 Jun 15;26(2):529–544. doi: 10.1016/j.jfda.2017.05.004

Table 1A.

Fast gas chromatography determination of T. zygis chem. thymol EO compounds.

N a LRIb LRIc Compound Qualifying and quantitation ionsd (m/z) Tzt1 Tzt2 Tzt3 Tzt4 IM
Concentration (mM ± SD) Area (% ± SD) Concentration (mM ± SD) Area (% ± SD) Concentration (mM ± SD) Area (% ± SD) Concentration (mM ± SD) Area (% ± SD)
1 928 929 α-Thujene 39, 77, 93, 136 1.3e ± 0.0 1.3e ± 0.0 0.1g ± 0.0 0.7f ± 0.0 1,2
2 930 938 α-Pinene 77, 93, 105, 121 76.3b ± 6.4 1.5f ± 0.1 93.9a ± 4.8 1.7e ± 0.1 36.8c ± 1.7 0.7h ± 0.0 38.3c ± 0.5 0.8g ± 0.0 1,2,3
3 943 955 Camphene 79, 93, 107, 121 51.7b ± 3.7 0.7f ± 0.0 170.3a ± 1.7 2.1e ± 0.1 29.2c ± 0.8 0.4f ± 0.0 1,2,3
5 970 982 β-Pinene 69, 77, 93, 121 12.1c ± 0.7 0.3f,g ± 0.0 17.3b ± 0.8 0.4f ± 0.1 81.7a ± 3.8 1.7e ± 0.0 7.0d ± 0.1 0.2g ± 0.0 1,2,3
6 963 985 3-Octanone 43, 57, 71, 99 0.3e ± 0.1 0.1f ± 0.0 1,2
7 979 989 Myrcene 41, 69, 79, 93 145.6a ± 6.4 1.8e ± 0.1 139.9a ± 5.2 1.6f ± 0.1 32.7c ± 0.6 0.4h ± 0.0 90.7b ± 1.3 1.3g ± 0.0 1,2,3
8 985 1002 3-Octanol 41, 59, 83, 101 0.1 ± 0.0 tr 1,2
9 999 1010 α-Phellandrene 77, 93, 119, 136 17.3a ± 0.9 0.2e ± 0.0 18.0a ± 0.6 0.2e ± 0.0 5.4c ± 0.1 0.1g ± 0.0 12.0b ± 0.1 0.1f ± 0.0 1,2,3
10 1005 1012 3-Carene 77, 79, 91, 93 0.1e ± 0.0 0.1e ± 0.0 0.1f ± 0.0 1,2
11 1008 1019 α-Terpinene 77, 93, 121, 136 85.9b ± 4.2 1.7f ± 0.0 102.1a ± 5.5 1.9e ± 0.1 14.6d ± 0.5 0.2h ± 0.0 56.3c ± 1.3 1.2g ± 0.0 1,2,3
12 1011 1027 p-Cymene 91, 117, 119, 134 862.1b ± 29.0 19.4f ± 0.6 1212.8a ± 13.0 27.2e ± 0.7 756.6c ± 12.5 16.1g ± 0.2 705.7c ± 22.9 14.3h ± 0.1 1,2,3
13 1020 1029 Limonene 68, 79, 93, 121 47.1b ± 3.0 0.6f ± 0.0 50.8a,b ± 2.3 0.6f ± 0.0 22.1c ± 0.3 0.3g ± 0.0 53.5a ± 0.8 0.8e ± 0.0 1,2,3
14 1024 1031 Z-β-Ocimene 41, 79, 93, 105 30.3a ± 2.0 0.2e ± 0.0 32.5a ± 1.3 0.2e ± 0.0 23.9b ± 0.6 0.1f ± 0.0 20.0c ± 0.3 0.1f ± 0.0 1,2,3
15 1023 1034 1,8-Cineole 43, 81, 93, 108 26.2b ± 1.5 0.6f ± 0.0 41.0a ± 2.7 0.9e ± 0.0 16.9c ± 0.3 0.4g ± 0.0 1,2,3
16 1036 1041 E-β-Ocimene 41, 79, 93, 105 0.1e ± 0.0 0.1e ± 0.0 0.1f ± 0.0 1,2
17 1053 1059 γ-Terpinene 77, 93, 121, 136 448.5c ± 22.4 8.3h ± 0.3 711.1b ± 11.3 13.3f ± 0.4 1462.8a ± 38.2 28.0e ± 0.4 710.8b ± 16.5 12.1g ± 0.1 1,2,3
18 1070 1072 E-Sabinene hydrate 77, 93, 121, 136 36.2a ± 1.0 0.5e ± 0.0 22.2b ± 0.5 0.3f ± 0.0 0.1g ± 0.0 19.6c ± 0.8 0.3f ± 0.0 1,2,3
19 1080 1088 Terpinolene 93, 105, 121, 136 0.2e ± 0.0 0.1f ± 0.0 0.2e ± 0.0 0.1g ± 0.0 1,2
20 1089 1090 Z-Lilalool oxide 43, 59, 68, 111 0.1f,g ± 0.0 0.1f ± 0.0 0.1e ± 0.0 0.1g ± 0.0 1,2
21 1081 1105 Linalool 41, 69, 93, 121 223.6c ± 2.8 4.1g ± 0.0 361.1b ± 5.6 5.8e ± 0.1 0.1h ± 0.0 386.8a ± 13.6 5.2f ± 0.0 1,2,3
23 1071 1110 β-Terpinene 77, 93, 121, 136 0.1e ± 0.0 0.1e,f ± 0.0 0.1f ± 0.0 1,2
26 1148 1157 Camphor 81, 95, 108, 152 13.3c ± 0.5 0.1g ± 0.0 170.4a ± 3.0 2.2e ± 0.1 0.1g ± 0.0 15.7b ± 0.5 0.3f ± 0.0 1,2,3
28 1174 1181 Borneol 41, 95, 110, 121 75.8b ± 0.4 1.0f ± 0.0 440.1a ± 20.2 3.0e ± 0.1 54.9b ± 0.4 0.8g ± 0.0 1,2,3
29 1161 1187 Terpinen-4-ol 71, 93, 121, 136 43.5b ± 0.9 1.5f ± 0.0 35.0c ± 0.5 1.1g ± 0.0 8.9d ± 0.3 0.3h ± 0.0 45.7a ± 0.3 1.8e ± 0.0 1,2,3
30 1172 1197 p-Cymene-8-ol 65, 91, 117, 132 0.1 ± 0.0 1,2
31 1192 1202 α-Terpineol 68, 93, 121, 136 13.4c ± 0.9 0.2e ± 0.0 21.6b ± 0.2 0.2e ± 0.1 0.1f ± 0.0 33.4a ± 0.3 0.2e ± 0.0 1,2,3
35 1208 1230 Citronellol 41, 69, 81, 95 8.5a ± 0.3 0.3e ± 0.0 7.4b ± 0.2 0.1f ± 0.0 1,2,3
36 1241 1239 Methyl ether of carvacrol 77, 91, 117, 134 14.3b ± 0.3 0.2g ± 0.0 30.1a ± 0.5 0.5e ± 0.0 14.7b ± 0.3 0.2f ± 0.0 1,2,3
40 1232 1256 Geraniol 41, 69, 79, 93 13.6 ± 0.5 0.2 ± 0.0 1,2,3
43 1298 vic-Thymol 91, 115, 135, 150 1.9 ± 0.0 1,2
44 1266 1309 Thymol 91, 115, 135, 150 3147.8b ± 17.8 50.3f ± 0.9 1923.2c ± 27.5 29.9h ± 1.0 3090.8b ± 98.6 48.2g ± 0.5 3636.2a ± 15.2 53.8e ± 0.2 1,2,3
45 1275 1315 Carvacrol 77, 91, 135, 150 112.9a ± 2.5 2.9e ± 0.1 62.3c ± 2.9 1.4g ± 0.1 34.3d ± 1.3 0.4h ± 0.0 80.7b ± 3.6 2.2f ± 0.0 1,2,3
46 1305 1328 6-Ethyl-3,4-dimethylphenol 91, 121, 135, 150 0.1 ± 0.0 1,2
49 1419 1427 E-β-Caryophyllene 41, 79, 93, 133 31.3b ± 0.7 1.4f ± 0.0 50.4a ± 1.0 2.2e ± 0.0 0.7h ± 0.0 24.1c ± 0.3 1.2g ± 0.0 1,2,3
50 1455 1447 Aromadendrene 91, 133, 161, 204 0.1e ± 0.0 0.2e ± 0.0 0.2f ± 0.0 0.1f ± 0.0 1,2
51 1454 1465 α-Humulene 80, 93, 121, 147 0.1e ± 0.0 0.1e ± 0.0 0.1e ± 0.0 1,2,
54 1473 1496 Ledene 107, 135, 171, 204 0.1f ± 0.0 0.1f ± 0.0 0.3e ± 0.0 0.1f ± 0.0 1,2
55 1514 1527 δ-Cadinene 134, 161, 189, 204 0.1f ± 0.0 0.1e ± 0.0 0.1g ± 0.0 1,2
57 1575 1594 Caryophyllene oxide 41, 79, 91, 105 16.1b ± 0.7 0.1f ± 0.0 24.4a ± 1.5 0.2e ± 0.0 14.3b ± 0.5 0.1f ± 0.0 1,2,3
Oxygenated terpenes:
Alcohol 60.9 42.5 51.6 65.1
Ketone 0.1 2.3 0.1 0.2
Aldehyde 0.0 0.0 0.0 0.0
Ester 0.0 0.0 0.0 0.0
Ether 1.0 1.6 0.2 0.8
Monoterpene hydrocarbons 36.4 50.4 47.3 32.1
Oxygenated monoterpenes 61.8 46.2 51.7 66.0
Sesquiterpene hydrocarbons 1.8 2.7 1.0 1.5
Oxygenated sesquiterpenes 0.1 0.2 0.0 0.1
Total terpene hydrocarbons 38.1 53.1 48.3 33.6
Total oxygenated terpenes 61.9 46.3 51.7 66.1
Non isoprenoid components 0.0 0.6 0.0 0.3

IM = Identification method: 1 = by LRI, 2 = by NIST 08 & Wiley 7, 3 = by comparison with pure compounds. tr = Traces (<0.1%).

a

N = Reference number for statistical PCA graphs.

b

LRI = Linear Retention Index from databases NIST 08 & Wiley 7.

c

LRI = Linear Retention Index calculated from the homologous series of n-alkanes (C7–C30).

d

Ions used for quantitation are in bold.