Compound classes | Injection area-% | Pyrolysis area-% | Difference in area-% |
---|---|---|---|
Monoterpenoids | 5.05 | 4.02 | −1.03 |
Alkyl-, alkenyl-benzenes and cyclohexadienes | 7.26 | 9.01 | +1.75 |
Alkyl-, alkenyl- dihydroisobenzofuranones | 65.00 | 59.60 | −5.40 |
Alkyl-, alkenyl-phthalides | 6.57 | 11.06 | +4.49 |
Alkyl-, alkenyl- tetrahydroisobenzofuranones | 2.46 | 2.58 | +0.12 |
Cyclic anhydrides (benzene, cyclohexadiene) | 0.86 | 1.74 | +0.88 |
Sesquiterpenoids | 4.46 | 5.32 | +0.86 |
Fatty acid and alcohol derivatives | 4.36 | 1.71 | −2.65 |
Alkenes and alkenyl oxo compounds | 0.17 | 0.83 | +0.66 |
Compound classes | Injection area-% | Pyrolysis area-% | Difference area-% |
---|---|---|---|
Esters | 12.56 | 12.49 | −0.07 |
Bicyclogermacrene | 11.68 | 6.46 | −5.22 |
Other sesquiterpenes | 7.59 | 10.45 | +2.86 |
O-,S-containing sesquiterpenoids | 8.09 | 8.72 | +0.63 |
Davanones | 32.95 | 35.72 | +2.77 |
Hydroxyisodavanones | 1.75 | 2.00 | +0.25 |
Davana ethers | 10.43 | 5.83 | −4.60 |
Other furan derivatives | 3.13 | 4.43 | +1.30 |
No. | tret/min | MW | Structure | Compound | Injection /area-% aver. ± std. dev. | Pyrolysis /area-% aver. ± std. dev. | Difference in area-% | Significance level |
---|---|---|---|---|---|---|---|---|
1 | 9.40 | 130 | Ethyl 2-methylbutanoate | 0.20 ± 0.03 | 0 | −0.20 | ||
2 | 9.60 | 130 | Ethyl 3-methylbutanoate | 0.14 ± 0.02 | 0 | −0.14 | ||
3 | 12.04 | 144 | Propyl 2-methylbutanoate | 0.29 ± 0.03 | 0.06 ± 0.04 | −0.23 | ||
4 | 12.18 | 144 | Propyl 3-methylbutanoate | 0.21 ± 0.03 | 0.03 ± 0.03 | −0.18 | ||
5 | 13.51 | 134 | 0.41 ± 0.04 | 0.13 ± 0.09 | −0.28 | |||
6 | 13.71 | 106 | Benzaldehyde | 0.07 ± 0.00 | 0.18 ± 0.06 | +0.11 | ||
7 | 15.04 | 112 | 5,5-Dimethylfuran-2(5 |
0.13 ± 0.01 | 0.37 ± 0.04 | +0.24 | ||
8 | 15.16 | 154 | 0 | 0.12 ± 0.02 | +0.12 | |||
9 | 15.17 | 172 | 2-Methylbutyl 2-methylbutanoate | 0.46 ± 0.03 | 0.23 ± 0.10 | −0.23 | ||
10 | 15.28 | 172 | 2-Methylbutyl pentanoate | 0.23 ± 0.01 | 0.10 ± 0.05 | −0.13 | ||
11 | 15.54 | 154 | 0.03 ± 0.00 | 0.20 ± 0.02 | +0.17 | |||
12 | 15.72 | 154 | Linalool | 0.50 ± 0.02 | 0.28 ± 0.10 | −0.22 | ||
13 | 16.36 | 126 | 5-Ethenyl-5-methyl-dihydrofuran-2(3 |
0.13 ± 0.01 | 0.25 ± 0.03 | +0.12 | ||
14 | 16.71 | 138 | 4-(Propan-2-ylidene) cyclohexanone | 0 | 0.11 ± 0.03 | +0.11 | ||
15 | 16.88 | 154 | Terpinen-4-ol | 0.35 ± 0.01 | 0.24 ± 0.06 | −0.11 | ||
16 | 18.18 | 204 | Bicycloelemene (isomer 1) |
0 | 0.37 ± 0.04 | +0.37 | ||
17 | 18.19 | 182 | Nordavanone |
0.24 ± 0.01 | 0.31 ± 0.03 | +0.07 | ||
18 | 18.36 | 204 | Bicycloelemene (isomer 2) | 0.18 ± 0.01 | 2.03 ± 0.10 | +1.85 | ||
19 | 18.71 | 164 | Methyl 3-phenylpropanoate |
0 | 0.12 ± 0.01 | +0.12 | ||
20 | 18.73 | 204 | Isoledene |
0.12 ± 0.00 | 0.04 ± 0.00 | −0.08 | ||
21 | 18.81 | 204 | α-Copaene | 0.17 ± 0.00 | 0.18 ± 0.02 | +0.01 | N | |
22 | 18.84 | 210 | 4-(5-Ethenyl-5-methyltetrahydrofuran-2-yl)pentan-2,3-dione | 0.05 ± 0.01 | 0.37 ± 0.04 | +0.32 | ||
23 | 19.23 | 204 | β-Elemene | 0.52 ± 0.01 | 0.49 ± 0.04 | −0.03 | N | |
162 | Methyl |
|||||||
24 | 19.28 | 204 | α-Gurjunene + | 0.19 ± 0.09 | 0.34 ± 0.04 | +0.15 | ||
204 | δ-Selinene | |||||||
25 | 19.57 | 196 | Geranyl acetate | 1.03 ± 0.02 | 0.82 ± 0.07 | −0.21 | ||
26 | 19.63 | 178 | Ethyl 3-phenylpropanoate | 0.20 ± 0.00 | 0.19 ± 0.03 | −0.01 | N | |
27 | 19.69 | 204 | β-Caryophyllene | 0.33 ± 0.01 | 0.33 ± 0.02 | 0 | N | |
28 | 19.74 | 204 | Eudesma-3,7(11)-diene | 0.06 ± 0.01 | 0.13 ± 0.01 | +0.07 | ||
29 | 19.82 | 204 | Aromadendrene (isomer 1) | 0.75 ± 0.03 | 0.91 ± 0.06 | +0.16 | ||
30 | 19.85 | 204 | Eudesma-5,11-diene | 0.05 ± 0.00 | 0.23 ± 0.07 | +0.18 | ||
31 | 19.90 | 220 | Davana furan | 0.70 ± 0.01 | 0.67 ± 0.05 | −0.03 | N | |
32 | 20.10 | 192 | Benzyl isovalerate |
0.20 ± 0.03 | 0.15 ± 0.05 | −0.05 | N | |
33 | 20.12 | 204 | Aromadendrene (isomer 2) |
0.51 ± 0.08 | 0 | −0.51 | ||
34 | 20.15 | 176 | Ethyl |
2.02 ± 0.13 | 2.45 ± 0.15 | +0.43 | ||
35 | 20.16 | 204 | α-Humulene |
0 | 0.24 ± 0.01 | +0.24 | ||
36 | 20.28 | 204 | γ-Muurolene | 0.13 ± 0.00 | 0.10 ± 0.02 | −0.03 | ||
37 | 20.37 | 162 | Methyl |
1.02 ± 0.02 | 1.05 ± 0.04 | +0.03 | N | |
38 | 20.45 | 204 | Isobicyclogermacrene | 0.23 ± 0.04 | 0.66 ± 0.14 | +0.43 | ||
39 | 20.49 | 204 | Ledene | 1.27 ± 0.03 | 1.48 ± 0.06 | +0.21 | ||
40 | 20.57 | 204 | β-Selinene | 2.50 ± 0.05 | 2.30 ± 0.08 | −0.20 | ||
41 | 20.76 | 204 | Bicyclogermacrene | 11.68 ± 0.10 | 6.46 ± 0.26 | −5.22 | ||
42 | 20.81 | 204 | δ-Cadinene + | 0.77 ± 0.05 | 0.96 ± 0.06 | +0.19 | ||
204 | γ-Cadinene | |||||||
43 | 20.96 | 236 | Davanone (isomer 1) |
0 | 0.55 ± 0.01 | +0.55 | ||
44 | 20.97 | 234 | Davana ether (isomer 1) |
1.94 ± 0.06 | 1.10 ± 0.03 | −0.84 | ||
45 | 21.08 | 190 | Precocene | 0.04 ± 0.00 | 0.17 ± 0.02 | +0.13 | ||
46 | 21.27 | 234 | Davana ether (isomer 2) | 5.41 ± 0.20 | 2.78 ± 0.12 | −2.63 | ||
47 | 21.34 | 176 | Ethyl |
6.34 ± 0.14 | 7.12 ± 0.04 | +0.78 | ||
48 | 21.45 | 234 | Davana ether (isomer 3) | 0.24 ± 0.07 | 0.16 ± 0.04 | −0.08 | ||
49 | 21.55 | 234 | Davana ether (isomer 4, 5) | 2.84 ± 0.07 | 1.79 ± 0.11 | −1.05 | ||
50 | 21.67 | 224 | Geranyl isobutyrate | 0.23 ± 0.01 | 0.16 ± 0.05 | −0.07 | ||
51 | 21.87 | 250 | Artedouglasia oxide (isomer 1) | 0.70 ± 0.02 | 0.82 ± 0.05 | +0.12 | ||
52 | 21.95 | 222 | Nerolidol | 0.50 ± 0.04 | 0.45 ± 0.05 | −0.05 | N | |
53 | 22.07 | 250 | Artedouglasia oxide (isomer 2) | 0.88 ± 0.03 | 0.99 ± 0.01 | +0.11 | ||
54 | 22.11 | 236 | Davanone (isomer 2) | 0.50 ± 0.03 | 0.61 ± 0.05 | +0.11 | ||
55 | 22.23 | 236 | Davanone (isomer 3) | 1.83 ± 0.15 | 1.69 ± 0.09 | −0.14 | N | |
56 | 22.43 | 236 | Davanone (isomer 4) | 1.11 ± 0.02 | 1.09 ± 0.10 | −0.02 | N | |
57 | 22.53 | 220 | Spathulenol | 3.67 ± 0.18 | 3.90 ± 0.22 | +0.23 | N | |
58 | 22.58 | 222 | Viridiflorol | 0.62 ± 0.08 | 0.95 ± 0.05 | +0.33 | ||
59 | 22.69 | 236 | (+)-Davanone | 29.50 ± 0.63 | 31.77 ± 1.72 | +2.27 | ||
60 | 22.87 | 250 | Artedouglasia oxide (isomer 3) | 0.26 ± 0.02 | 0.33 ± 0.03 | +0.07 | ||
61 | 23.05 | 222 | Cadinol (isomer 1) | 1.77 ± 0.03 | 1.77 ± 0.06 | 0 | N | |
62 | 23.17 | 220 | Isospathulenol | 0.58 ± 0.05 | 0.62 ± 0.03 | +0.04 | N | |
63 | 23.32 | 222 | Cadinol (isomer 2) + | 0.51 ± 0.02 | 0.49 ± 0.04 | −0.02 | N | |
220 | 4,8a-Dimethyl-6-(prop-1-en-2-yl)-1,2,3,5,6,7,8,8a-octahydronaphthalen-2-ol | |||||||
64 | 23.42 | 222 | β-Eudesmol | 0.94 ± 0.02 | 0.99 ± 0.03 | +0.05 | ||
65 | 23.92 | 224 | Methyl jasmonate | 0.28 ± 0.01 | 0.33 ± 0.03 | +0.05 | ||
66 | 24.00 | 202 | Desmethoxy encecalin | 0.09 ± 0.02 | 0.20 ± 0.07 | +0.11 | ||
67 | 24.13 | 236 | Mintsulfide | 0.12 ± 0.01 | 0.18 ± 0.01 | +0.06 | ||
68 | 24.72 | 252 | 2-Hydroxyisodavanone (isomer 1) | 0.18 ± 0.02 | 0.17 ± 0.03 | −0.01 | N | |
69 | 24.81 | 252 | 2-Hydroxyisodavanone (isomer 2) | 0.19 ± 0.01 | 0.18 ± 0.03 | −0.01 | N | |
70 | 24.93 | 252 | 2-Hydroxyisodavanone (isomer 3) |
0.14 ± 0.01 | 0.13 ± 0.01 | −0.01 | N | |
71 | 24.96 | 268 | Hexahydrofarnesyl acetone |
0.14 ± 0.01 | 0.18 ± 0.01 | +0.04 | ||
72 | 25.11 | 252 | 2-Hydroxyisodavanone (isomer 4) | 1.08 ± 0.03 | 1.36 ± 0.15 | +0.28 | ||
73 | 25.14 | 252 | Hydroxyisodavanone | 0.16 ± 0.01 | 0.15 ± 0.03 | −0.01 | N | |
74 | 26.40 | 296 | Heneicosane | 0.12 ± 0.01 | 0.06 ± 0.05 | −0.06 | N | |
75 | 27.50 | 296 | Phytol | 0.31 ± 0.03 | 0 | −0.31 | ||
29 unidentified peaks | 8.68 | 11.06 | +2.38 |
No. | tret/min | MW | Structure | Compound | Injection /area-% aver. ± std. dev. | Pyrolysis /area-% aver. ± std. dev. | Difference in area-% | Significance level |
---|---|---|---|---|---|---|---|---|
1 | 10.45 | 136 | α-Pinene | 0.74 ± 0.10 | 0.22 ± 0.08 | −0.52 | ||
2 | 11.03 | 136 | Camphene | 0.21 ± 0.03 | 0.10 ± 0.03 | −0.11 | ||
3 | 11.74 | 114 | Heptanal | 0 | 0.49 ± 0.10 | +0.49 | ||
4 | 11.86 | 136 | β-Pinene | 1.23 ± 0.15 | 0.66 ± 0.18 | −0.57 | ||
5 | 13.14 | 136 | 0.22 ± 0.03 | 0.33 ± 0.06 | +0.11 | |||
6 | 13.31 | 136 | β-Phellandrene | 1.57 ± 0.14 | 1.42 ± 0.20 | −0.15 | N | |
7 | 13.51 | 134 | p-Cymene | 0.07 ± 0.00 | 0.14 ± 0.02 | +0.07 | ||
8 | 13.85 | 136 | γ-Terpinene | 0.15 ± 0.01 | 0.29 ± 0.05 | +0.14 | ||
9 | 14.37 | 136 | Terpinolene | 0.29 ± 0.02 | 0.32 ± 0.04 | +0.03 | N | |
10 | 15.69 | 150 | 2-Pentylcyclohexa-1,3-diene | 6.00 ± 0.29 | 6.56 ± 0.52 | +0.56 | N | |
11 | 15.97 | 148 | n-Pentyl-benzene | 1.22 ± 0.05 | 2.12 ± 0.13 | +0.90 | ||
12 | 17.12 | 148 | C5-benzene | 0.01 ± 0.00 | 0.13 ± 0.01 | +0.12 | ||
13 | 17.28 | 164 | 1,3,5-Dodecatriene | 0.17 ± 0.01 | 0.20 ± 0.01 | +0.03 | ||
14 | 17.30 | 146 | 1-Phenyl-1-pentene | 0.02 ± 0.00 | 0.20 ± 0.01 | +0.18 | ||
15 | 17.35 | 154 | α-Terpineol | 0.08 ± 0.01 | 0.12 ± 0.01 | +0.04 | ||
16 | 18.81 | 204 | α-Copaene | 0.20 ± 0.01 | 0.32 ± 0.03 | +0.12 | ||
17 | 19.15 | 196 | α-Terpinyl acetate | 0.49 ± 0.03 | 0.44 ± 0.09 | −0.05 | N | |
18 | 19.22 | 204 | β-Elemene | 0.44 ± 0.02 | 0.55 ± 0.06 | +0.11 | ||
19 | 19.48 | 152 | 2,4-Decadienal | 0 | 0.14 ± 0.01 | +0.14 | ||
20 | 19.54 | 204 | β-Funebrene | 0.10 ± 0.01 | 0.16 ± 0.02 | +0.06 | ||
21 | 19.68 | 204 | γ-Elemene | 0.08 ± 0.01 | 0.17 ± 0.02 | +0.09 | ||
22 | 19.83 | 150 | 2-Methoxy-4-vinylphenol | 0.41 ± 0.09 | 0.67 ± 0.12 | +0.26 | ||
23 | 19.91 | 162 | Valerophenone | 1.32 ± 0.06 | 1.77 ± 0.14 | +0.45 | ||
24 | 20.03 | 204 | α-Bulnesene | 0.23 ± 0.01 | 0.34 ± 0.02 | +0.11 | ||
25 | 20.40 | 204 | 2-Isopropenyl-4a,8-dimethyl-1,2,3,4,4a,5,6,7-octahydronaphthalene | 0.12 ± 0.01 | 0.30 ± 0.03 | +0.18 | ||
26 | 20.56 | 204 | β-Selinene | 1.00 ± 0.06 | 1.04 ± 0.11 | +0.04 | N | |
27 | 20.63 | 204 | α-Selinene | 0.39 ± 0.02 | 0.41 ± 0.04 | +0.02 | N | |
28 | 20.83 | 204 | δ-Cadinene | 0.66 ± 0.04 | 0.64 ± 0.05 | −0.02 | N | |
29 | 20.95 | 148 | Phthalic anhydride | 0.08 ± 0.00 | 0.85 ± 0.11 | +0.77 | ||
30 | 21.03 | 204 | α-Gurjunene | 0.07 ± 0.01 | 0.12 ± 0.03 | +0.05 | ||
31 | 21.09 | 204 | β-Himachalene | 0.10 ± 0.01 | 0.15 ± 0.02 | +0.05 | ||
32 | 21.12 | 238 | Bornyl isovalerate | 0.20 ± 0.02 | 0.19 ± 0.02 | −0.01 | N | |
33 | 21.24 | 238 | Bornyl pentanoate | 0.17 ± 0.01 | 0.19 ± 0.01 | +0.02 | N | |
34 | 21.51 | 150 | 1,3-Cyclohexadiene-1,2-dicarboxylic anhydride | 0.77 ± 0.04 | 0.89 ± 0.08 | +0.12 | ||
35 | 22.14 | 222 | Elemol | 0.28 ± 0.03 | 0.33 ± 0.05 | +0.05 | N | |
36 | 22.44 | 222 | Carotol | 0.13 ± 0.01 | 0.17 ± 0.02 | +0.04 | ||
37 | 23.02 | 222 | γ-Eudesmol | 0.13 ± 0.01 | 0.12 ± 0.02 | −0.01 | N | |
38 | 23.10 | 222 | τ-Muurolol | 0.25 ± 0.02 | 0.27 ± 0.05 | +0.02 | N | |
39 | 23.33 | 222 | Unidentified sesquiterpene | 0.19 ± 0.01 | 0.18 ± 0.03 | −0.01 | N | |
40 | 23.40 | 174 | 3-Propylidenephthalide | 0.15 ± 0.01 | 0.27 ± 0.04 | +0.12 | ||
41 | 23.42 | 222 | β-Eudesmol | 0.29 ± 0.02 | 0.24 ± 0.05 | −0.05 | N | |
42 | 23.45 | 222 | Unidentified | 0.54 ± 0.05 | 0.43 ± 0.06 | −0.11 | ||
43 | 23.50 | 176 | 3-Propylphthalide | 0.06 ± 0.00 | 0.33 ± 0.05 | +0.27 | ||
44 | 24.27 | 176 | ( |
1.45 ± 0.12 | 1.50 ± 0.09 | +0.05 | N | |
45 | 24.49 | 188 | ( |
4.19 ± 0.30 | 7.69 ± 0.44 | +3.50 | ||
46 | 24.56 | 192 | ( |
0.20 ± 0.04 | 0.17 ± 0.03 | −0.03 | N | |
47 | 24.61 | 190 | 3-n-Butylphthalide | 1.04 ± 0.07 | 1.22 ± 0.08 | +0.18 | ||
48 | 25.21 | 192 | ( |
0.20 ± 0.01 | 0.36 ± 0.03 | +0.16 | ||
49 | 25.26 | 188 | ( |
0.94 ± 0.06 | 1.42 ± 0.08 | +0.48 | ||
50 | 25.37 | 190 | ( |
58.05 ± 1.90 | 51.57 ± 2.14 | −6.48 | ||
51 | 25.47 | 270 | Hexadecanoic acid methyl ester | 0 | 0.20 ± 0.03 | +0.20 | ||
52 | 25.54 | 194 | 3-Butyl-4,5,6,7-tetrahydroisobenzofuran-1(3 |
2.07 ± 0.16 | 2.05 ± 0.10 | −0.02 | N | |
53 | 25.59 | 218 | Isobenzofuranone derivative | 0 | 0.18 ± 0.02 | +0.18 | ||
54 | 25.65 | 192 | Senkyunolide | 1.45 ± 0.09 | 1.29 ± 0.09 | −0.16 | ||
55 | 26.09 | 284 | Hexadecanoic acid, ethyl ester | 0.42 ± 0.03 | 0.41 ± 0.04 | −0.01 | N | |
56 | 26.36 | 190 | ( |
4.06 ± 0.24 | 5.23 ± 0.22 | +1.17 | ||
57 | 26.99 | 186 | Ficusin (Furocoumarin) | 0.22 ± 0.07 | 0.21 ± 0.03 | −0.01 | N | |
58 | 27.55 | 244 | Falcarinol | 1.02 ± 0.22 | 0.34 ± 0.10 | −0.68 | ||
59 | 27.74 | 218 | 5-Methoxy-3-butylidenephthalide | 0.19 ± 0.01 | 0.13 ± 0.01 | −0.06 | ||
60 | 27.83 | 308 | Linoleic acid ethyl ester | 0.79 ± 0.07 | 0.76 ± 0.11 | −0.03 | N | |
61 | 28.47 | 280 | Linoleic acid | 0.37 ± 0.25 | 0 | −0.37 | ||
62 | 29.47 | 224 | Unidentified | 0.75 ± 0.14 | 0.31 ± 0.11 | −0.44 | ||
63 | 29.72 | Fatty acid ester | 1.76 ± 0.35 | 0 | −1.76 |