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07 August 2023
Posted:
08 August 2023
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No. | Compounds | CAS | LRIsb, d | LRIsa | LRIsc | E8 | C8 | RC8 | E9 | C9 | RC9 | E10 | C10 | RC10 |
---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
1 | Hexanal | 66-25-1 | 800, 1083 | - | - | nd | 0.1 | 0.2 | nd | 0.1 | 0.2 | tr | 0.1 | 0.1 |
2 | β-Pinene | 127-91-3 | 970, 1112 | - | 1114 | tr | nd | nd | nd | nd | nd | nd | nd | nd |
3 | 1-Octen-3-ol | 3391-86-4 | 980, 1450 | 980 | 1454 | nd | nd | nd | 1.8 | 0.7 | 1.1 | 1.6 | 0.6 | 1.1 |
4 | Hexanoic acid | 142-62-1 | 990, 1846 | - | 1838 | nd | 0.1 | 0.3 | nd | 0.2 | 0.4 | 0.1 | 0.2 | 0.4 |
5 | p-Cymene | 99-87-6 | 1011, 1272 | - | 1272 | 0.2 | 0.3 | 0.1 | nd | tr | tr | 0.1 | nd | tr |
6 | Limonene | 138-86-3 | 1030, 1200 | 1026 | 1203 | 3.4 | 3 | 0.8 | 1.5 | 0.2 | 0.5 | 0.9 | 0.1 | 0.3 |
7 | γ-Terpinene | 99-85-4 | 1053, 1246 | - | 1247 | 0.1 | 0.2 | nd | nd | nd | nd | nd | nd | nd |
8 | cis-Linalool oxide | 5989-33-3 | 1074, 1444 | - | 1441 | nd | nd | nd | nd | 0.6 | 1.4 | 0.2 | 0.6 | 1.5 |
9 | trans-Linalool oxide | 34995-77-2 | 1102, 1452 | - | 1466 | nd | nd | 0.7 | nd | 0.5 | 1.2 | 0.2 | 0.6 | 1.1 |
10 | Linalool | 78-70-6 | 1099, 1547 | 1098 | 1552 | 2.4 | 0.7 | 4.0 | 4.2 | 1.1 | 2.1 | 4 | 1.2 | 2 |
11 | Caprylic acid | 124-07-2 | 1180, 2060 | - | 2053 | nd | 0.1 | 0.3 | nd | 0.1 | 0.2 | 0.1 | 0.1 | 0.2 |
12 | α-Terpineol | 98-55-5 | 1189, 1697 | 1185 | 1690 | 2.8 | 1.1 | 4.7 | 4.1 | 1.3 | 2 | 3.4 | 1.2 | 2 |
13 | Tridecane | 629-50-5 | 1300, 1300 | - | 1300 | nd | nd | tr | nd | nd | nd | nd | nd | nd |
14 | Tetradecane | 629-59-4 | 1400, 1400 | - | 1400 | nd | nd | 0.1 | nd | nd | nd | tr | nd | tr |
15 | β-Caryophyllene | 87-44-5 | 1419, 1595 | - | 1583 | 0.1 | 0.1 | 0.1 | nd | tr | tr | 0.1 | tr | tr |
16 | Pentadecane | 629-62-9 | 1500, 1500 | - | 1500 | tr | tr | 0.1 | nd | tr | 0.1 | 0.1 | tr | 0.1 |
17 | Dodecanoic acid | 143-07-7 | 1556, 2498 | - | 2474 | 0.7 | 0.9 | 1.6 | 1.1 | 1.4 | 2.5 | 1.2 | 1.3 | 2 |
18 | Cedrol | 77-53-2 | 1598, 2116 | - | 2086 | tr | 0.1 | 0.2 | nd | 0.1 | 0.2 | 0.1 | 0.1 | 0.1 |
19 | Hexadecane | 544-76-3 | 1600, 1600 | - | 1600 | 0.1 | 0.1 | 0.1 | nd | tr | 0.1 | 0.1 | 0.1 | 0.2 |
20 | Heptadecane | 629-78-7 | 1700, 1700 | - | 1700 | 0.1 | 0.1 | 0.2 | nd | 0.1 | 0.2 | 0.1 | 0.1 | 0.3 |
21 | Tetradecanoic acid | 544-63-8 | 1748, 2694 | - | 2685 | 3.9 | 5.6 | 6.4 | 2.8 | 4.4 | 5.4 | 3.2 | 5.3 | 6.1 |
22 | Octadecane | 593-45-3 | 1800, 1800 | - | 1800 | tr | tr | nd | nd | nd | 0.1 | nd | nd | 0.2 |
23 | Hexahydrofarnesyl acetone | 502-69-2 | 1842, 2131 | 1843 | 2119 | 2 | 2.7 | 6.2 | 2 | 2.3 | 5.6 | 3.0 | 3.5 | 7 |
24 | * Pentadecanoic acid | 1002-84-2 | 1867, 2822 | - | 2790 | 0.5 | 0.7 | 0.8 | nd | 0.8 | 0.6 | 0.4 | 0.7 | 0.7 |
25 | Nonadecane | 629-92-5 | 1900, 1900 | - | 1900 | 0.1 | tr | 0.1 | nd | nd | nd | nd | tr | 0.1 |
26 | Farnesyl acetone | 1117-52-8 | 1919, 2384 | - | 2362 | 0.7 | 0.1 | 0.9 | nd | 0.1 | 0.1 | 0.8 | 0.1 | 0.2 |
27 | Methyl hexadecanoate | 112-39-0 | 1926, 2208 | 1924 | 2214 | 1.5 | 1.6 | 4.1 | 2.8 | 3 | 7.1 | 3.9 | 4.1 | 8.3 |
28 | 9E-Hexadecenoic acid (16:1, n-7) | 2091-29-4 | 1942, 2954 | - | 2935 | 0.9 | 0.8 | 2.7 | nd | nd | 0.4 | 0.3 | 0.3 | 0.4 |
29 | Palmitoleic acid (16:1, n-7) | 373-49-9 | 1951, 2926 | - | 2926 | 1.8 | 1.5 | 4.3 | nd | 0.7 | 1.3 | 0.7 | 0.8 | 1.1 |
30 | Dibutyl phthalate | 84-74-2 | 1965, 2680 | - | 2675 | nd | 0.3 | 0.8 | nd | nd | 0.4 | 0.2 | 0.2 | 0.5 |
31 | PA | 57-10-3 | 1972, 2931 | 1960 | 2894 | 51.9 | 64.1 | 17.8 | 60.8 | 69.2 | 35.7 | 47.1 | 61.3 | 44.8 |
32 | Eicosane | 112-95-8 | 2000, 2000 | - | 2000 | tr | tr | 0.1 | nd | nd | 0.1 | nd | tr | 0.1 |
33 | Methyl linoleate | 112-63-0 | 2092, 2482 | - | 2485 | 1.9 | 0.3 | 2.8 | 4.4 | 0.6 | 0.9 | 4.3 | 0.4 | 0.6 |
34 | Methyl oleate | 112-62-9 | 2091, 2434 | - | 2439 | 0.9 | 0.7 | 2.5 | 2.0 | 1.9 | 4.8 | 2.2 | 2.1 | 4.4 |
35 | Methyl linolenate | 301-00-8 | 2098, 2571 | - | 2552 | 1.8 | nd | 1.2 | 2.8 | nd | nd | 3.4 | nd | nd |
36 | Heneicosane | 629-94-7 | 2100, 2100 | - | 2100 | nd | tr | 0.1 | nd | nd | 0.1 | 0.1 | tr | 0.1 |
37 | Phytol | 150-86-7 | 2104, 2622 | - | 2607 | 5.8 | 1.5 | 7 | 2 | 0.7 | 1.3 | 4.4 | 1.3 | 2 |
38 | Unknown-1 | - | -, - | - | 2476 | 0.2 | 0.3 | 2.8 | nd | 0.2 | 0.3 | 0.3 | 0.2 | 0.5 |
39 | Methyl stearate | 112-61-8 | 2128, 2418 | - | 2420 | 0.2 | 0.3 | 0.7 | nd | 0.3 | 0.7 | 0.4 | 0.4 | 0.9 |
40 | Linoleic acid | 60-33-3 | 2133, 3164 | - | 2884 | 7.7 | 1.1 | 9.7 | 2.7 | 0.1 | 0.7 | 5.1 | 0.6 | nd |
41 | Oleic acid | 112-80-1 | 2141, 3173 | - | 2770 | 2.9 | 2.9 | 7 | nd | 3.3 | 10.0 | 3.7 | 4 | nd |
42 | Stearic acid | 57-11-4 | 2172, 3136 | - | 2700 | 1.7 | 4.3 | nd | nd | 1.6 | 1.5 | 0.3 | 3.8 | nd |
43 | Docosane | 629-97-0 | 2200, 2200 | - | 2200 | 0.1 | 0.1 | 0.1 | nd | nd | 0.2 | nd | 0.1 | 0.1 |
44 | Phytol acetate | - | -, - | - | 2512 | 0.1 | 0.2 | 0.6 | nd | 0.1 | 0.4 | 0.2 | 0.1 | 0.2 |
45 | Tricosane | 638-67-5 | 2300, 2300 | - | 2300 | 0.2 | 0.2 | 0.5 | nd | 0.2 | 0.6 | 0.2 | 0.2 | 0.4 |
46 | Tetracosane | 646-31-1 | 2400, 2400 | - | 2400 | nd | 0.1 | 0.3 | nd | 0.1 | 0.3 | nd | 0.1 | 0.2 |
47 | Pentacosane | 629-99-2 | 2500, 2500 | - | 2500 | 0.1 | 0.3 | 0.6 | nd | 0.2 | 0.6 | 0.1 | 0.2 | nd |
48 | Methyl 5,6-octadecadienoate | -, - | - | 2515 | 0.2 | 0.1 | 0.4 | 0.5 | 0.7 | 1.4 | 0.4 | 0.4 | 0.9 | |
49 | Hexacosane | 630-01-3 | 2600, 2600 | - | 2600 | 0.2 | 0.1 | 0.3 | nd | tr | 0.1 | 0.3 | 0.1 | 0.1 |
50 | Heptacosane | 593-49-7 | 2700, 2700 | - | 2700 | 0.2 | 0.4 | nd | nd | nd | 1.5 | 0.2 | 0.2 | 0.4 |
51 | Octacosane | 630-02-4 | 2800, 2800 | - | 2800 | 0.2 | 0.3 | nd | nd | nd | 0.4 | nd | 0.1 | 0.3 |
52 | Unknown-2 | - | 2817 | 0.9 | 1 | 3 | nd | 0.8 | 1.7 | 0.8 | 0.8 | 1.4 | ||
53 | Nonacosane | 630-03-5 | 2900, 2900 | - | 2900 | nd | nd | nd | nd | nd | 1.1 | nd | nd | nd |
54 | Unknown-3 | - | 2952 | nd | nd | nd | 4.5 | 1 | 0.5 | nd | 0.8 | 4.5 | ||
55 | Unknown-4 | - | 2975 | 1.4 | 1.4 | 3.1 | nd | 1.2 | 1.9 | 1.5 | 1.4 | 1.9 | ||
Total (55) | 100 | 100 | 100 | 100 | 100 | 100 | 100 | 100 | 100 | |||||
HMs (4) | 3.7 | 3.4 | 0.9 | 1.5 | 0.2 | 0.6 | 1.0 | 0.1 | 0.3 | |||||
AMs (4) | 5.2 | 1.8 | 9.4 | 8.3 | 3.5 | 6.7 | 7.8 | 3.6 | 6.7 | |||||
HSs (1) | 0.1 | 0.1 | 0.1 | 0 | 0 | 0 | 0.1 | 0 | 0 | |||||
ASs (1) | 0 | 0.1 | 0.2 | 0 | 0.1 | 0.2 | 0.1 | 0.1 | 0.1 | |||||
ADs (1) | 5.8 | 1.5 | 7 | 2 | 0.7 | 1.3 | 4.4 | 1.3 | 2 | |||||
Aldehydes & ketones (3) | 2.7 | 2.8 | 7.3 | 2 | 2.5 | 5.9 | 3.8 | 3.6 | 7.4 | |||||
FAs (11) | 72 | 82.1 | 50.9 | 67.4 | 81.8 | 58.7 | 62.2 | 78.4 | 55.7 | |||||
LCFAs (9) | 72 | 81.9 | 50.3 | 67.4 | 81.5 | 58.1 | 62 | 78.1 | 55.1 | |||||
SCFAs (2) | 0 | 0.2 | 0.6 | 0 | 0.3 | 0.6 | 0.2 | 0.3 | 0.6 | |||||
SFAs (7) | 58.7 | 75.8 | 27.2 | 64.7 | 77.7 | 46.3 | 52.4 | 72.7 | 54.2 | |||||
MUFAs (3) | 5.6 | 5.2 | 14 | 0 | 4 | 11.7 | 4.7 | 5.1 | 1.5 | |||||
PUFAs (1) | 7.7 | 1.1 | 9.7 | 2.7 | 0.1 | 0.7 | 5.1 | 0.6 | 0 | |||||
Esters (8) | 6.6 | 3.5 | 13 | 12.5 | 6.6 | 15.7 | 15.0 | 7.8 | 15.7 | |||||
Phthalate (1) | 0 | 0.3 | 0.8 | 0 | 0 | 0.4 | 0.2 | 0.2 | 0.5 | |||||
Esters of FAs (7) | 6.6 | 3.2 | 12.2 | 12.5 | 6.6 | 15.3 | 14.8 | 7.6 | 15.2 | |||||
TOCs (29) | 92.5 | 91.9 | 87.6 | 94.0 | 95.7 | 89.5 | 95 | 95.4 | 88.8 | |||||
n-Alkanes (17) | 1.3 | 1.8 | 2.6 | 0 | 0.7 | 5.5 | 1.2 | 1.2 | 2.6 | |||||
Unknowns (4) | 2.5 | 2.8 | 8.9 | 4.5 | 3.3 | 4.4 | 2.6 | 3.3 | 8.2 |
Characteristic Ion Peaks (M/W, %) | Compounds |
---|---|
123 (100), 57 (97), 81 (90), 43 (81), 69 (81), 95 (80), 68 (77), 55 (76), 82 (68), 278 (6). | Unknown-1 |
55 (100), 41 (77), 69 (76), 43 (74), 83 (73), 97 (59), 57 (57), 96 (56), 84 (56), 222 (11) | Unknown-2 |
80 (100), 140 (59), 81 (45), 94 (33), 79 (33), 122 (30), 67 (28), 41 (27), 43 (25), 149 (3). | Unknown-3 |
43 (100), 55 (81), 57 (80), 83 (67), 41 (65), 69 (62), 97 (58), 96 (45), 194 (8), 236 (8). | Unknown-4 |
Samples | IC50 (mg·mL– 1) | Ferric reducing ability (mmol·L– 1) |
|
---|---|---|---|
DPPH | ABTS | ||
E8 | ND | 133.1 | 0.023 |
E9 | 764.96 | ND | 0.02 |
E10 | ND | 0.227 | 0.025 |
RC8 | 0.629 | 0.323 | 0.023 |
RC9 | ND | 0.541 | 0.019 |
RC10 | 0.344 | 0.293 | 0.028 |
C8 | ND | ND | 0.027 |
C9 | ND | ND | 0.024 |
C10 | ND | ND | 0.026 |
PA | ND | ND | 0.25 |
Ascorbic acid | 0.0077 | 0.013 | 0.098 |
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