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A peer-reviewed article of this preprint also exists.
Submitted:
29 February 2024
Posted:
01 March 2024
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No. | Compounds | D. coccus | D. opuntiae | |||
---|---|---|---|---|---|---|
RA (%) | KI Exp | RA (%) | KI Exp | KI ref | ||
Carboxylic acids and derivatives | 59.28% | 78.29% | ||||
1 | Hexanoic acid | 1.09±0.08 | 903 | |||
2 | 2-methylhexanoic acid | 0.54±0.01 | 950 | |||
3 | Heptanoic acid | 0.20±0.05 | 1021 | 0.64±0.16 | 1021 | 1005 |
4 | 2,4-dimethylhexanoic acid | 0.37±0.02 | 1015 | |||
5 | 2-Ethylhexanoic acid | 10.90±0.21 | 1036 | 1031 | ||
6 | Lactic acid | 5.58±0.58 | 1061 | 0.86±0.03 | 1062 | 1057 |
7 | Glycolic acid | 0.11±0.03 | 1075 | 1072 | ||
8 | 2,6-dimethylheptanoic acid | 0.61±0.21 | 1087 | |||
9 | Octanoic acid | 1.90±0.74 | 1108 | 2.20±0.24 | 1108 | 1108 |
10 | 2,3,4-Trimethylpentanoic acid | 0.44±0.02 | 1127 | |||
11 | Ethyl benzoate | 0.12±0.01 | 1153 | 1141 | ||
12 | Ethyl octanoate | 0.05±1.77 | 1188 | 1175 | ||
13 | Nonanoic acid | 2.32±0.64 | 1214 | 3.57±0.37 | 1214 | 1205 |
14 | 2,4-dimethylnonanoic acid | 0.31±0.01 | 1234 | |||
15 | Benzoic acid | 2.04±0.00 | 1235 | 1.04±0.01 | 1235 | 1232 |
16 | Ethyl nonanoate | 0.26±0.03 | 1290 | 1282 | ||
17 | 2-Decenoic acid | 0.42±0.02 | 1310 | 1290 | ||
18 | Decanoic acid | 8.76±2.53 | 1316 | 2.38±0.12 | 1316 | 1309 |
19 | Butanedioic acid | 0.11±0.03 | 1318 | 1314 | ||
20 | (Z)-4-tert-butylcyclohexyl acetate | 0.80±0.02 | 1358 | 0.12±0.03 | 1356 | 1346 |
21 | Ethyl decanoate | 0.18±0.02 | 1388 | 1382 | ||
22 | Undecanoic acid | 0.63±0.02 | 1414 | 1410 | ||
23 | cis-5-Dodecenoic acid | 3.18±0.04 | 1504 | |||
24 | Dodecanoic acid | 4.93±0.90 | 1512 | 1509 | ||
25 | Nonanedioic acid | 0.40±0.03 | 1535 | 1511 | ||
26 | Ethyl dodecanoate | 1.06±0.07 | 1580 | 1566 | ||
27 | Tridecanoic acid | 0.49±0.04 | 1606 | 1606 | ||
28 | p-Hydroxybenzoic acid | 0.24±0.00 | 1615 | 0.05±0.01 | 1616 | 1621 |
29 | Hexyl salicylate | 1.05±0.01 | 1660 | 0.57±0.02 | 1658 | 1684 |
30 | (Z)-9-Tetradecenoic acid | 0.42±0.05 | 1702 | 0.22±0.09 | 1707 | 1691 |
31 | Tetradecanoic acid | 21.25±2.90 | 1717 | 30.15±1.35 | 1718 | 1713 |
32 | Ethyl tetradecanoate | 0.40±0.01 | 1793 | 1782 | ||
33 | (Z)-9-Hexadecenoic acid | 0.56±0.12 | 1909 | 1885 | ||
34 | Hexadecanoic acid | 2.30±1.83 | 1934 | 5.89±0.42 | 1934 | 1909 |
35 | Ethyl hexadecanoate | 0.23±0.01 | 1974 | 1968 | ||
36 | Heptadecanoic acid | 1.03±0.06 | 2039 | 2009 | ||
37 | (Z,Z) 9,12-Octadecadienoic acid | 0.83±0.73 | 2105 | 3.76±0.67 | 2105 | 2087 |
38 | (Z) -9-Octadecenoic acid | 0.82±1.11 | 2112 | 2.44±0.33 | 2112 | 2088 |
39 | Octadecanoic acid | 1.69±2.32 | 2139 | 2.58±0.22 | 2140 | 2133 |
40 | Ethyl octadecanoate | 0.33±0.03 | 2208 | 2181 | ||
41 | Dehydroabietic acid | 1.58±0.00 | 2375 | 0.12±0.02 | 2376 | 2385 |
Aldehydes 5.80 7.68 | ||||||
42 | Hexanal | 1.79±0.36 | 964 | |||
43 | Heptanal | 1.24±0.11 | 1066 | 1069 | ||
44 | Octanal | 0.23±0.07 | 1165 | 1162 | ||
45 | Nonanal | 0.34±0.11 | 1235 | 2.57±0.17 | 1268 | 1267 |
46 | Decanal | 0.28±0.02 | 1367 | 1366 | ||
47 | Dodecanal | 0.28±0.10 | 1663 | |||
48 | α-Hexylcinnamaldehyde | 5.46±0.08 | 0.11±0.12 | 1719 | 1728 | |
49 | Heptadecanal | 1.18±0.33 | 2088 | |||
Ether 0.09 | ||||||
50 | Benzyl methyl ether | 0.09±0.01 | 966 | |||
Terpene 0.54 0.08 | ||||||
51 | p-Cymene | 0.08±0.04 | 1018 | 1025 | ||
52 | α-Ionone | 0.36±0.15 | 1415 | 1413 | ||
53 | β-Ionone | 0.18±0.02 | 1472 | 1486 | ||
Ketones 0.54 | ||||||
54 | Benzophenone | 0.09±0.02 | 1600 | 1611 | ||
55 | 2-Nonadecanone | 0.45±0.08 | 2116 | 2087 | ||
Alcohols 12.15 0.62 | ||||||
56 | Phenol | 0.31±0.09 | 1045 | 1043 | ||
57 | 2-Ethylhexanol | 0.22±0.04 | 1095 | |||
58 | 1-Dodecanol | 4.31±0.00 | 1559 | 0.09±0.01 | 1559 | 1575 |
59 | 1-Tridecanol | 0.42±0.00 | 1659 | 1656 | ||
60 | 1-Tetradecanol | 3.43±0.00 | 1765 | 1770 | ||
61 | 1-Hexadecanol | 3.47±0.00 | 1977 | 1965 | ||
62 | 1-Octadecanol | 0.52±0.00 | 2175 | 2159 | ||
Alkene 0.42 | ||||||
63 | 1-Tridecene | 0.42±0.00 | 1284 | 1287 | ||
Alkane 1.80 2.41 | ||||||
64 | Hexadecane | 1.80±0.00 | 1581 | 1.11±0.29 | 1581 | 1600 |
65 | Octadecane | 0.25±0.00 | 1797 | 1800 | ||
66 | Heneicosane | 1.05±0.21 | 2309 | |||
Total | 79.57 | 90.13 |
No. | Compounds | OFI Esmeralda |
OFI Esmeralda infested by D. coccus |
KIExp | OFI Rojo Pelón |
OFI Rojo Pelón infested by D. opuntiae | KIExp | KIRef |
---|---|---|---|---|---|---|---|---|
RA (%) | RA (%) | RA (%) | RA (%) | |||||
Carboxilic acid and derivatives 48.79 | 44.28 | 31.78 | 20.05 | |||||
1 | Hexanoic acid | 0.83±0.63 | 0.82±0.00 | 942 | 904 | |||
67 | 3-Methyl-2-pentenoic acid | 0.35±0.32 | 959 | 926 | ||||
68 | 2-Hexenoic acid | 0.66±0.01 | 0.36±0.00 | 972 | 939 | |||
69 | 4-Oxopentanoic acid | 0.22±0.14 | 991 | 956 | ||||
70 | Heptanoic acid | 0.59±0.50 | 0.39±0.05 | 1022 | 0.39±0.11 | 0.25±0.15 | 1030 | 1005 |
5 | 2-Ethylhexanoic acid | 0.11±0.07 | 1044 | 1031 | ||||
71 | 4-Methylvaleric acid | 0.15±0.10 | 1033 | 1039 | ||||
72 | 2-Methyl-4-pentenoic acid | 0.11±0.16 | 1062 | |||||
73 | Lactic acid | 3.22±1.91 | 1.63±0.16 | 1065 | 1057 | |||
15 | Benzoic acid | 1.49±1.77 | 0.29±0.03 | 1080 | 2.06±0.13 | 0.50±0.09 | 1080 | 1084 |
74 | Methyl benzoate | 0.41±0.14 | 1081 | 0.91±0.34 | 1084 | |||
9 | Octanoic acid | 1.23±1.52 | 1112 | 1.21±0.07 | 1.34±0.07 | 1112 | 1109 | |
11 | Ethyl Benzoate | 0.05±0.01 | 1156 | 0.08±0.04 | 0.24±0.11 | 1152 | 1141 | |
75 | Benzeneacetic acid | 0.17±0.05 | 1160 | 1150 | ||||
76 | Salicylic acid | 0.18±0.25 | 1171 | 1176 | ||||
77 | Methyl salicylate | 1.21±0.37 | 6.96±0.14 | 1181 | 0.32±0.07 | 1172 | 1176 | |
78 | 2-Nonenoic acid | 0.86±0.00 | 1179 | 0.33±0.08 | 1184 | |||
13 | Nonanoic acid | 1.09±0.24 | 0.76±0.07 | 1216 | 1.45±0.12 | 1.72±0.14 | 1212 | 1206 |
79 | Ethyl salycilate | 1.03±0.01 | 1244 | 1241 | ||||
18 | Decanoic acid | 0.77±0.75 | 0.63±0.00 | 1318 | 0.79±0.08 | 1311 | 1309 | |
19 | Butanedioic acid | 0.49±0.19 | 1320 | 1314 | ||||
80 | Gliceric acid | 0.73±0.02 | 1346 | 1342 | ||||
81 | 2-Methoxybenzoic acid | 0.10±0.01 | 1331 | 1362 | ||||
82 | Methyl 2-methoxy benzoate | 0.45±0.10 | 1319 | 1295 | ||||
83 | Glutaric acid | 0.16±0.03 | 1410 | 1400 | ||||
22 | Undecanoic acid | 0.16±0.02 | 0.14±0.07 | 1417 | 0.08±0.02 | 0.12±0.08 | 1408 | 1410 |
24 | Dodecanoic acid | 5.70±6.08 | 2.77±0.06 | 1516 | 7.19±0.50 | 2.35±0.16 | 1505 | 1509 |
84 | 2,5-Dimethoxy benzenemethanol acetate | 0.13±0.04 | 1523 | |||||
26 | Ethyl Dodecanoate | 0.26±1.27 | 0.17±0.09 | 1582 | 0.33±0.01 | 1571 | 1581 | |
28 | p-Hydroxybenzoic acid | 0.94±0.45 | 1620 | 1621 | ||||
29 | Hexylsalicylate | 0.25±3.04 | 0.46±0.07 | 1662 | 1652 | |||
85 | Methyl tetradecanoate | 0.84±0.16 | 1719 | 1714 | ||||
27 | Tridecanoic acid | 0.06±0.04 | 1611 | 1606 | ||||
86 | 12-Methyltridecanoic acid | 0.07±0.00 | 1678 | 1680 | ||||
31 | Tetradecanoic acid | 2.98±3.09 | 1.36±0.06 | 1720 | 1.56±0.10 | 0.19±0.07 | 1714 | 1714 |
87 | Methyl benzoate | 1.46±0.03 | 1752 | |||||
88 | Benzyl Benzoate | 2.65±0.51 | 1741 | 0.15±0.04 | 1754 | 1765 | ||
32 | Ethyl tetradecanoate | 0.10±0.13 | 1784 | 1782 | ||||
89 | Nonanedioic acid | 0.28±0.01 | 1808 | 1788 | ||||
90 | Pentadecanoic acid | 0.42±0.47 | 0.43±0.02 | 1826 | 1807 | |||
91 | Isopropyl tetradecanoate | 0.05±0.34 | 1820 | 1827 | ||||
92 | Benzyl salicylate | 0.31±0.12 | 1855 | 1860 | ||||
34 | Hexadecanoic acid | 7.19±2.16 | 4.88±0.16 | 1935 | 9.35±0.74 | 8.25±0.45 | 1916 | 1909 |
93 | 15-Methylhexadecanoic acid | 0.17±0.03 | 2040 | 1974 | ||||
37 | (Z,Z)-9,12-Octadecadienoic acid | 1.90± 0.44 | 1.03±0.12 | 2106 | 0.88±0.14 | 2.20±1.43 | 2087 | 2087 |
38 | (Z)-9-Octadecenoic acid | 2.35±1.66 | 1.94±0.10 | 2113 | 2.47±0.98 | 2090 | 2100 | |
39 | Octadecanoic acid | 2.53±0.59 | 1.76±0.01 | 2141 | 2.76±0.15 | 0.59±0.15 | 2119 | 2133 |
94 | Methyl octadecanoate | 0.33±0.04 | 1809 | |||||
40 | Ethyl octadecanoate | 0.11±0.00 | 2199 | 2202 | ||||
41 | Dehydroabietic acid | 9.32±2.24 | 9.99±0.04 | 2376 | 0.46±0.05 | 0.39±0.02 | 2344 | 2373 |
Aldehides and derivatives 2.15 6.25 4.3 4.82 | ||||||||
42 | Hexanal | 0.44±0.44 | 0.47±0.00 | 984 | 964 | |||
43 | Heptanal | 0.18±0.02 | 1069 | 1068 | ||||
95 | Benzaldehyde | 0.15±0.07 | 1094 | 0.32±0.03 | 0.55±0.33 | 1094 | 1080 | |
96 | Diethyl acetal hexanal | 0.25±0.14 | 0.46±0.10 | 1086 | 1082 | |||
97 | 5,5-Dimethyl-3-oxo-1-cyclohexene-1-carboxaldehyde | 0.15±0.03 | 1104 | |||||
44 | Octanal | 0.17±0.01 | 1160 | 0.40±0.05 | 0.09±0.05 | 1165 | 1167 | |
98 | Phenylacetaldehyde | 0.62±0.61 | 0.56±0.06 | 1198 | 0.82±0.06 | 0.81±0.17 | 1201 | 1208 |
45 | Nonanal | 0.53±0.21 | 1.03±0.01 | 1271 | 1.73±0.12 | 1.32±0.09 | 1265 | 1267 |
46 | Decanal | 0.14±0.00 | 1370 | 0.14±0.08 | 1366 | 1366 | ||
99 | Nonanaldimethylacetal | 0.21±0.10 | 0.37±0.05 | 1374 | 1379 | |||
100 | 3-(4-(tert-butyl)phenyl-2-methylpropanal | 0.30±0.04 | 1497 | 1500 | ||||
101 | 4-Hydroxy-3-methoxybenzaldehyde | 0.10±0.04 | 0.62±0.02 | 1524 | 0.89±0.04 | 2.05±0.01 | 1511 | 1544 |
102 | 3-Ethoxy-4-hydroxybenzaldehyde | 0.11±0.02 | 1554 | 1560 | ||||
48 | α-Hexylcinnamaldehyde | 1.22±0.74 | 1725 | 1726 | ||||
103 | Octadecanal | 0.32±0.13 | 2187 | |||||
Heterocycles | 0.67 | 8.91 | 1.38 | |||||
104 | 2-Isopropyl-3-metoxypirazina | 0.25±3.25 | 1070 | 1080 | ||||
105 | 2-Methoxy-3-isopropylpyrazine | 0.30± 7.22 | 1.05±0.33 | 1083 | 1089 | |||
106 | Ethyl 2-(5-methyl-5-vinyltetrahydrofuran-2-yl)propan-2-yl carbonate | 8.18±0.10 | 1064 | 1090 | ||||
107 | 3-Isobutyl-2-methoxypyrazine | 0.43±0.03 | 1164 | 1170 | ||||
108 | 3-Ethyl-4-methyl-1H-pyrrole-2,5-dione | 0.35±0.03 | 1209 | 1192 | ||||
109 | 3-Hydroxy-2-methylpyran-4-one | 0.07±0.00 | 1266 | 1293 | ||||
110 | 2,3-Dihydro-2,2,4,6-tetramethylbenzofuran | 0.33±0.01 | 1410 | |||||
Ethers | 0.31 | 0.16 | ||||||
50 | Benzylmethylether | 0.31±0.20 | 966 | 966 | ||||
111 | 1,2-Dimethoxybenzene | 0.16±0.02 | 1111 | 1106 | ||||
Ketones | 1.95 | 1.16 | 1.17 | 0.61 | ||||
112 | 5-Hexen-2-one | 0.29±0.01 | 1007 | |||||
113 | 2,2,6-Trimethylcyclohexanone | 0.14±0.09 | 1031 | |||||
114 | Acetophenone | 0.57±0.08 | 1047 | 0.45±0.05 | 1055 | 1049 | ||
115 | Isophorone | 0.24±0.06 | 0.01±0.22 | 1106 | 0.17±0.03 | 1038 | 1094 | |
116 | Phenylacetone | 0.48±0.05 | 0.44±0.00 | 1114 | 0.24±0.02 | 0.16±0.07 | 1110 | 1116 |
117 | 4-Oxoisophorone | 0.13±0.02 | 1131 | 0.07±0.04 | 1125 | 1105 | ||
118 | 2-(1-Hydroxybut-2-enylidene)cyclohexanone | 0.14±0.03 | 1145 | |||||
119 | 1-(1-cyclohexen-1-yl)(-1-1-Butenone) | 0.70±0.34 | 1214 | |||||
54 | Benzophenone | 0.11±0.07 | 0.14±0.01 | 1607 | 0.41±0.05 | 1584 | 1607 | |
Terpenes | 17.89 | 13.92 | 0.8 | 15.52 | ||||
120 | Limonene | 0.85±0.23 | 1023 | 1020 | ||||
121 | Linalool oxide | 8.48±0.58 | 5.06±0.42 | 1063 | 1064 | |||
122 | trans-Linalool oxide | 5.70±0.03 | 1064 | 1068 | ||||
123 | 1,5,5-Trimethyl-3-methylene cyclohexene | 0.55±0.63 | 1071 | |||||
124 | β-Linalool | 5.00±0.58 | 0.26±0.35 | 1088 | 1082 | |||
125 | α-Terpineol | 2.00±0.36 | 1178 | 1172 | ||||
126 | Linalool | 0.19±0.22 | 1232 | 5.61±0.10 | 1227 | 1227 | ||
127 | Geraniol | 0.44±0.27 | 0.33±0.04 | 1250 | 1.84±0.06 | 1357 | 1238 | |
128 | Nerol | 0.33±0.06 | 1232 | 0.79±0.04 | 1328 | 1260 | ||
129 | β-Damascenone | 0.18±0.17 | 1362 | 0.55±0.30 | 1360 | 1361 | ||
52 | α-Ionona | 0.09±0.26 | 1404 | 1413 | ||||
130 | α-Isomethylionone | 0.88±0.15 | 1453 | 1478 | ||||
53 | β-Ionone | 0.40±0.06 | 1460 | 0.18±0.04 | 1458 | 1486 | ||
131 | Dihydroactinidiolide | 0.38±0.13 | 0.30±0.02 | 1537 | 1532 | |||
132 | Neophytadiene | 0.39±0.08 | 1832 | 1842 | ||||
133 | 28-Nor-17β(H)-hopane | 0.45±0.01 | 2942 | |||||
134 | β-Sitosterol | 0.35±0.03 | 6.55±0.04 | 3244 | 3284 | |||
Alcohols | 12.72 | 9.91 | 29.37 | 30.78 | ||||
135 | 1,2-Dihydroxy-4-methylpentane | 0.27±0.02 | 990 | |||||
136 | Hexanol | 0.06±0.01 | 9994 | 992 | ||||
137 | (Z)-2-Hexen-1-ol | 0.36±0.19 | 1010 | 7.65±0.18 | 4.21±0.08 | 1025 | 1001 | |
56 | Phenol | 0.22±0.09 | 0.16±1.30 | 1045 | 1043 | |||
138 | Heptanol | 0.11±0.23 | 1067 | 1092 | ||||
57 | 2-Ethylhexanol | 0.58±0.23 | 0.22±0.24 | 1099 | 2.13±0.09 | 1.49±0.05 | 1103 | |
139 | Benzylalcohol | 0.27±0.11 | 0.56±0.22 | 1143 | 0.90±0.02 | 2.08±0.06 | 1132 | 1156 |
140 | 1-Octanol | 0.29±0.14 | 1158 | 1.27±0.04 | 1.51±0.18 | 1177 | 1177 | |
141 | Guaiacol | 0.35±0.03 | 1209 | 1192 | ||||
142 | Nonanol | 0.07±0.01 | ||||||
143 | Glycerol | 0.33±0.52 | 1290 | 1.46±0.09 | 1288 | 1292 | ||
144 | p-Vinylguaiacol | 10.62±7.24 | 1.76±0.34 | 1305 | 14.67±0.93 | 17.03±5.14 | 1294 | 1282 |
145 | 1-Methyl-1(4-methyl-3-cyclohexenyl)ethanol | 0.63±0.00 | 1318 | 1309 | ||||
146 | Isododecanol | 0.09±0.01 | 1479 | |||||
58 | 1-Dodecanol | 0.47±0.09 | 0.60±0.01 | 1563 | 0.76±0.04 | 1553 | 1575 | |
60 | 1-Tetradecanol | 0.66±0.00 | 1756 | 1768 | ||||
61 | 1-Hexadecanol | 0.23±0.07 | 0.98±0.08 | 1978 | 0.53±0.03 | 1960 | 1965 | |
62 | 1-Octadecanol | 0.92±0.04 | 2177 | 2159 | ||||
147 | 3,7,11,15-Tetramethyl-2-hexadecenol | 1.82±0.15 | 2198 | 3.52±0.17 | 2173 | 2179 | ||
148 | Octacosanol | 0.94±0.04 | 3125 | 3154 | ||||
Aromatic derivatives | 0.77 | |||||||
149 | 1,2-Dihydro-1,1,6-trimethyl naphthalene | 0.18±0.07 | 1338 | 1332 | ||||
150 | 10,18,Bisnorabieta-8,11,13.triene | 0.59±0.03 | 2041 | |||||
Alkanes | 0.69 | 0.55 | 0.78 | |||||
64 | Hexadecane | 0.69±0.19 | 0.07±0.01 | 1585 | 1600 | |||
151 | Heptadecane | 0.12±0.05 | 1692 | 1700 | ||||
152 | Nonadecane | 0.36±0.06 | 1906 | 1900 | ||||
153 | Eicosane | 0.19±2.08 | 1992 | 2000 | ||||
66 | Heneicosane | 0.23±0.42 | 2092 | 2100 | ||||
154 | Docosane | 0.36±0.07 | 2188 | 2200 | ||||
Total | 85.27 | 76.9 | 77.11 | 73.16 |
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