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. 2022 Sep 10;17:105. doi: 10.1186/s13020-022-00659-8

Table 1.

Identification of the chemical constituents in the essential oil of ANP by GC–MS

No. tR (min) Compound Formula CAS RI (measured) RI (NIST) Match Structure type Source
1 10.53 Tricyclene C10H16 508-32-7 930.02 925 853 Monoterpeneoids B
2 10.79 α-Pinenea C10H16 80-56-8 939.35 937 872 Monoterpeneoids GF, CR
3 11.32 Camphenea C10H16 79-92-5 958.17 952 954 Monoterpeneoids B, CR
4 11.59 Benzaldehydea C7H6O 100-52-7 967.74 962 951 Aldehydes GF
5 12.13 β-Pinenea C10H16 127-91-3 987.29 979 847 Monoterpeneoids CR
6 12.25 2-Pentylfuran C9H14O 3777-69-3 991.45 993 839 Furans GF
7 12.32 2,2,4,6,6-Pentamethylheptane C12H26 13475-82-6 993.74 991 897 Alkanes B
8 12.95 α-Phellandrene C10H16 99-83-2 1012.46 1005 906 Monoterpeneoids CR
9 13.05 (+)-3-Carenea C10H16 498-15-7 1015.16 1010 740 Monoterpeneoids CR
10 13.29 α-Terpinenea C10H16 99-86-5 1021.92 1017 825 Monoterpeneoids CR
11 13.54 p-Cymene C10H14 99-87-6 1028.7 1025 900 Monoterpeneoids GF, CR
12 13.72 Limonenea C10H16 138-86-3 1033.6 1030 836 Monoterpeneoids GF, CR
13 13.9 Eucalyptola C10H18O 470-82-6 1038.53 1032 934 Monoterpeneoids GF, CR
14 14.09 β-Isophorone C9H14O 471-01-2 1043.5 1044 843 Ketones GF
15 14.22 Benzeneacetaldehydea C8H8O 122-78-1 1047.2 1045 935 Aldehydes GF
16 14.73 r-Terpinene C10H16 99-85-4 1061.04 1060 733 Monoterpeneoids CR
17 15.07 Acetophenonea C8H8O 98-86-2 1070.44 1065 965 Ketones GF
18 15.83 Terpinolenea C10H16 586-62-9 1090.9 1088 935 Monoterpeneoids CR
19 16.01 p-Cymenene C10H12 1195-32-0 1095.82 1090 843 Monoterpeneoids CR
20 16.1 Fenchone C10H16O 1195-79-5 1098.36 1096 810 Monoterpeneoids B
21 16.39 Nonanal C9H18O 124-19-6 1105.11 1104 872 Aldehydes GF
22 17.15 Isofenchol C10H18O 6168-62-3 1121.75 – 918 Monoterpeneoids B
23 17.37 Fenchola C10H18O 1632-73-1 1126.45 1113 904 Monoterpeneoids B
24 17.61 β-Fenchol C10H18O 22627-95-8 1131.74 1116 848 Monoterpeneoids B
25 17.98 α-Campholenal C10H16O 4501-58-0 1140.03 1125 828 Monoterpeneoids B
26 18.74 Camphora C10H16O 76-22-2 1156.5 1145 930 Monoterpeneoids B
27 19.12 Camphene hydrate C10H18O 465-31-6 1164.88 1148 925 Monoterpeneoids B
28 19.67 Isoborneola C10H18O 124-76-5 1177.11 1157 976 Monoterpeneoids B
29 20.17 d-Borneola C10H18O 464-43-7 1188.07 1167 963 Monoterpeneoids B
30 20.39 α,α,3-Trimethylbenzenemethanol C10H14O 5208-37-7 1192.7 1180 845 Alcohols CR
31 20.83 l-α-Terpineol C10H18O 10482-56-1 1202.58 1190 819 Monoterpeneoids GF, CR
32 21.11 2-Bornanol C10H18O 10,385-78-1 1207.45 – 811 Monoterpeneoids B
33 21.3 Neoisopulegol C10H18O 29141-10-4 1211.19 – 813 Monoterpeneoids B
34 22.22 4-Methyleneisophorone C10H14O 20548-00-9 1229.01 1242 952 Ketones GF
35 22.64 Bornyl formate C11H18O2 7492-41-3 1236.94 1226 908 Monoterpeneoids B
36 23.08 Isobornyl formate C11H18O2 1200-67-5 1245.47 1232 818 Monoterpeneoids B
37 25.41 l-Bornyl acetate C12H20O2 5655-61-8 1290.31 1284 640 Monoterpeneoids B
38 26.55 4-Vinylguaiacol C9H10O2 7786-61-0 1314.47 1317 932 Phenols CR
39 28.45 Eugenol C10H12O2 97-53-0 1357.5 1357 819 Phenols GF
40 28.76 Benzalacetone C10H10O 122-57-6 1364.59 – 865 Ketones GF
41 29.56 4-Methyl-4-phenyl-2-pentanonea C12H16O 7403-42-1 1382.7 – 769 Ketones CR
42 31.52 β-Caryophyllenea C15H24 87-44-5 1429.53 1419 932 Sesquiterpenoids CR
43 32.13 Paeonol C9H10O3 552-41-0 1444.74 1438 914 Phenols GF
44 32.44 trans-β-Farnesene C15H24 18794-84-8 1452.39 1457 796 Sesquiterpenoids CR
45 32.61 Sesquisabinene C15H24 58319-04-3 1456.51 1464 811 Sesquiterpenoids CR
46 32.98 Humulenea C15H24 6753-98-6 1465.58 1454 804 Sesquiterpenoids CR
47 33.65 1,3-Cyclohexadiene, 1-(1,5-dimethyl-4-hexenyl)-4-methyl- C15H24 451-55-8 1482.09 1480 876 Sesquiterpenoids CR
48 33.77 α-Curcumenea C15H22 644-30-4 1485.18 1483 957 Sesquiterpenoids CR
49 34.32 α-Zingiberene C15H24 495-60-3 1498.67 1495 891 Sesquiterpenoids CR
50 34.57 α-Farnesene C15H24 502-61-4 1505.36 1508 672 Sesquiterpenoids CR
51 34.84 β-Bisabolene C15H24 495-61-4 1513.02 1509 919 Sesquiterpenoids CR
52 35.15 Ethylparaben C9H10O3 120–47-8 1521.51 – 910 Benzoate esters M
53 35.49 β-Sesquiphellandrene C15H24 20307-83-9 1530.9 1524 929 Sesquiterpenoids CR
54 35.61 trans-γ-Bisabolene C15H24 53585-13-0 1534.09 1533 833 Sesquiterpenoids CR
55 36.59 cis-Sesquisabinene hydrate C15H26O 58319-05-4 1561.06 1543 857 Sesquiterpenoids CR
56 36.72 trans-Nerolidol C15H26O 40716-66-3 1564.79 1564 750 Sesquiterpenoids CR
57 37.39 ar-Tumerol C15H22O 38142-57-3 1583.26 1583 792 Sesquiterpenoids CR
58 37.86 trans-Sesquisabinene hydrate C15H26O 145,512–84-1 1596.08 1581 900 Sesquiterpenoids CR
59 38.64 Zingiberenol C15H26O 58334-55-7 1620.64 1616 923 Sesquiterpenoids CR
60 38.85 trans-Nuciferol C15H22O 39599-18-3 1627.39 – 712 Sesquiterpenoids CR
61 39.18 β-Acorenol C15H26O 28400-11-5 1637.839241 1649 808 Sesquiterpenoids CR
62 40.16 ar-Tumeronea C15H20O 532-65-0 1669.3 1664 949 Sesquiterpenoids CR
63 40.33 Tumerone C15H22O 180315-67-7 1674.84 1632 935 Sesquiterpenoids CR
64 40.44 (Z)-γ-Atlantone C15H22O 108549-48-0 1678.45 1699 836 Sesquiterpenoids CR
65 41 4-(1,5-Dimethylhex-4-enyl)cyclohex-2-enone C14H22O 1723-80-4 1696.24 1698 848 Sesquiterpenoids CR
66 41.24 Bisacurol C15H24O 120681-80-3 1704.32 – 910 Sesquiterpenoids CR
67 41.4 Curlone C15H22O 82508-14-3 1709.55 – 948 Sesquiterpenoids CR
68 41.61 Curcuphenol C15H22O 69301-27-5 1716.86 1717 814 Sesquiterpenoids CR
69 41.7 (Z)-α-Atlantone C15H22O 56192-70-2 1719.91 1717 915 Sesquiterpenoids CR
70 42.71 (6R,7R)-Bisabolone C15H24O 72441-71-5 1754.45 1747 936 Sesquiterpenoids CR
71 42.82 Tetradecanoic acid C14H28O2 544-63-8 1758.18 1768 780 Fatty acids and their esters GF
72 43.55 (−)-(E)-α-Atlantone C15H22O 108645-54-1 1783.13 1773 927 Sesquiterpenoids CR
73 43.85 Ethyl myristate C16H32O2 124-06-1 1793.15 1794 665 Fatty acids and their esters GF
74 44.39 Turmeronol B C15H20O2 131651-38-2 1815.66 – 763 Sesquiterpenoids CR
75 45.5 Musconea C16H30O 541-91-3 1867.53 – 929 Ketones M
76 46.64 Methyl palmitate C17H34O2 112-39-0 1925.78 1926 868 Fatty acids and their esters M, GF
77 47.23 Palmitic acid C16H32O2 10/3/1957 1960.36 1968 957 Fatty acids and their esters M, GF
78 47.78 Ethyl palmitate C18H36O2 628-97-7 1992.48 1993 915 Fatty acids and their esters B, M, GF, CR
79 49.25 Methyl linoleate C19H34O2 112-63-0 2094.97 2092 904 Fatty acids and their esters GF
80 49.33 Methyl oleate C19H36O2 112-62-9 2100.76 2091 846 Fatty acids and their esters M, GF
81 49.72 Linoleic acid C18H32O2 60-33-3 2132.12 2133 900 Fatty acids and their esters M, GF
82 49.79 Oleic acid C18H34O2 112–80-1 2138.03 2141 887 Fatty acids and their esters M, GF
83 50.05 Stearic acid C18H36O2 11/4/1957 2159.94 2172 842 Fatty acids and their esters M, GF
84 50.09 Ethyl linoleate C20H36O2 544-35-4 2163.23 2162 937 Fatty acids and their esters M
85 50.17 Ethyl oleate C20H38O2 111-62-6 2169.06 2173 905 Fatty acids and their esters M
86 50.45 Ethyl stearate C20H40O2 111-61-5 2192.34 2195 811 Fatty acids and their esters B
87 50.54 Docosane C22H46 629-97-0 2199.89 2200 855 Alkanes GF
88 51.62 Tricosane C23H48 638-67-5 2299.86 2300 880 Alkanes GF
89 52.65 Tetracosane C24H50 646-31-1 2399.86 2400 886 Alkanes GF
90 53.72 Pentacosane C25H52 629-99-2 2499.78 2500 878 Alkanes GF
91 54.17 Di(2-propylpentyl) phthalate C24H38O4 70910-37-1 2538.21 2527 911 Benzoate esters GF
92 54.89 Hexacocane C26H54 630-01-3 2599.7 2600 873 Alkanes GF
93 56.2 Heptacosane C27H56 593-49-7 2699.46 2700 851 Alkanes GF

The batch of ANP used for qualification was S7

Sources: B Borneolum, M Moschus, CR Curcumae Radix, GF Gardeniae Fructus

–: The RI was not found in NIST library

aThe identification was confirmed with reference standards