Skip to main content
. 2011 Nov 21;9(11):2438–2468. doi: 10.3390/md9112438

Table S2.

Compound peaks detected from GC-MS analysis of samples used for characterization of the life history stages of P. hornemannii. Identifications based on comparison of either Kovat’s Indices (KI) of compounds retrieved from the Retention Index Calculator [37] or mass spectral comparison of compounds retrieved from NIST or MassBase. Asterisk (*) indicates compounds with parent ions showing halogenated mass spectral patterns.

# Sample Base Peak KI KI Based ID Mass Spectra Based ID
RT (min) Nearest KI Lucero et al. [37] NIST MassBase
1 F6_2 93 6.1863 994 993/994 beta-myrcene/6-methyl-5-hepten-2-ol b-myrcene b-myrcene
2 T1_1 104 6.5874 1008 1007 α-phellandrene - -
3 T1_2 104 6.5909 1008 1007 α-phellandrene - -
4 M1_1 91 6.7685 1016 1017 α-terpinene Benzene, tert-butyl- 4-methylacetophenone
5 F3_3 79 6.9501 1023 1024 r-cymene - -
6 M1_2 79 6.9532 1023 1024 r-cymene - -
7 M1_3 91 7.017 1026 1025 p-cymene carbonic acid 1-phenylpropan-2-one
8 M2_2 91 7.021 1026 1025 p-cymene - protopine
9 F3_2 91 7.0387 1027 1025 p-cymene - N-Methyl-Npropagylbenzylamine
10 T2_1 57 8.0381 1063 1062 y-terpinene - -
11 M2_2 132 8.8894 1089 1089 p-mentha-2,4(8)diene - -
12 T2_1 117 9.5127 1110 1099 linalool - -
13 F4_3 117 9.8874 1124 1123 chrysanthenone - -
14 M1_3 117 9.9855 1128 1127 α-campholenal - -
15 M2_2 91 10.2042 1136 1127 α-campholenal - -
16 F2_2 91 10.2132 1136 1127 α-campholenal - Dimethirimol
17 T2_1 119 10.4565 1145 1145 camphor - Benzimidazole
18 M1_1 68 10.8826 1160 1158 isobomeol - -
19 F7_3 68 10.8845 1160 1158 isobomeol - -
20 T2_1 68 10.8866 1160 1158 isobomeol - -
21 F3_3 68 10.8873 1160 1158 isobomeol - -
22 F4_1 117 11.3242 1174 1171 ethyl-benzoate - -
23 F4_1 50 11.5177 1180 1180 m-cymen-8-ol - -
24 T2_2 127 11.5317 1180 1180 m-cymen-8-ol - -
25 T2_3 134 11.7619 1188 1187 p-cymen-8-ol - -
26 M2_2 105 12.0654 1197 1196 methylchavicol - 3-cyanopyridine
27 F3_2 57 12.1827 1200 1203 n-decanal 3-Hexanone -
28 F7_3 113 12.3674 1207 1207 verbenone - -
29 M1_2 113 12.3831 1208 1207 verbenone - -
30 T1_3 91 12.3874 1208 1207 verbenone - -
31 M2_2 93 12.6294 1217 1217 trans-carveol - -
32 M1_2 69 12.7588 1222 1219 trans-carveol - -
33 M1_1 55 12.8397 1225 1229 nerol - -
34 F7_3 67 13.1203 1236 1236 thymol methyl ether - -
35 M1_1 79 13.1266 1236 1236 thymol methyl ether - -
36 F5_2 93 13.127 1236 1236 thymol methyl ether - Beta-pinene; y-eudesmol
37 M2_2 93 13.32 1243 1243 carvone - -
38 T1_1 93 13.327 1243 1243 carvone 2-chloropropionyl chloride -
39 T2_1 93 13.3305 1243 1243 carvone - -
40 *(Br) F6_2 69 13.6916 1256 1256 geraniol - -
41 M1_1 91 13.6953 1256 1256 geraniol -
42 F2_1 69 13.6967 1256 1256 geraniol -
43 F5_1 69 13.6975 1256 1256 geraniol - -
44 M2_1 91 13.9837 1266 1263 (E)-2-decenal - N-Methyl-Npropagylbenzylamine
45 F7_3 119 14.131 1271 1271 geranial - -
46 F2_3 119 14.1354 1271 1271 geranial - -
47 F3_2 69 14.4252 1281 1282 a-terpinen-7-al - -
48 M2_3 69 14.4368 1281 1282 a-terpinen-7-al - -
49 F5_1 91 14.6745 1289 1289 p-cymen-7-ol - -
50 T2_1 91 14.68 1289 1289 p-cymen-7-ol - -
51 F6_3 149 14.9157 1297 1297 perilla alcohol - Benzoylcholine
52 * (Cl) F6_3 131 15.0641 1302 1302 trans-ascaridole - 2-chloro-1-phenyl-2-butene
53 F6_1 166 15.3344 1313 1313 2E,4E-decadienal - 2-chloro-1-phenyl-2-butene
54 F6_3 81 15.5368 1320 1313 2E,4E-decadienal - -
55 M2_2 81 15.5381 1321 1313 2E,4E-decadienal - -
56 T1_2 81 15.5481 1321 1313 2E,4E-decadienal - -
57 M2_2 67 15.6269 1324 1313 2E,4E-decadienal - 1-Adamantanamine
58 M1_2 67 15.6354 1324 1313 2E,4E-decadienal - -
59 F3_1 57 15.7447 1329 1339 d-elemene - -
60 F2_1 57 15.7649 1329 1339 d-elemene - -
61 M2_2 91 15.8827 1334 1339 d-elemene - -
62 M1_2 91 15.8885 1334 1339 d-elemene - -
63 M2_2 139 16.5157 1357 1357 eugenol - -
64 F6_1 115 16.5278 1358 1357 eugenol - -
65 M2_3 166 16.5392 1358 1357 eugenol - -
66 M2_2 91 17.02 1375 1373 a-ylangene - -
67 M2_3 91 17.0254 1376 1373 a-ylangene - -
68 M1_2 91 17.0311 1376 1373 a-ylangene - -
69 T2_1 127 17.403 1389 1389 isolongifolene - Imidazole-4-acetate
70 T2_1 57 17.7476 1400 1399 1,7-di-epi-a-cedrene - -
71 M2_2 79 17.7625 1401 1402 methyleugenol - -
72 M2_3 127 17.7782 1402 1402 methyleugenol - -
73 T2_2 67 18.1041 1415 1415 cis-a-bergarnotene - -
74 T1_3 79 18.18 1418 1419 β-caryophyllene - -
75 F6_1 79 18.1866 1419 1419 β-caryophyllene - -
76 T1_1 79 18.1928 1419 1419 β-caryophyllene Pyridine -
77 F5_1 79 18.1934 1419 1419 β-caryophyllene - camphene
78 M1_2 79 18.1939 1419 1419 β-caryophyllene - -
79 * (Br) F7_2 212 18.3193 1424 1420 β-caroyophyllene - -
80 F6_2 210 18.4564 1429 1420 β-caroyophyllene - -
81 M2_3 131 18.4673 1430 1420 β-caroyophyllene - -
82 M1_1 67 18.5462 1433 1435 trans-a-bergamotene - -
83 M1_2 67 18.5503 1433 1435 trans-a-bergamotene - -
84 F2_2 133 18.6084 1435 1435 trans-a-bergamotene - -
85 T2_2 69 18.6925 1439 1438 trans-a-bergamotene - -
86 F3_3 69 18.6982 1439 1440 a-guaiene - -
87 M2_3 69 18.7018 1439 1440 a-guaiene - -
88 M1_1 91 18.7475 1441 1440 a-guaiene - -
89 F4_2 69 18.8243 1444 1440 a-guaiene - -
90 F7_2 69 18.8273 1444 1440 a-guaiene - -
91 T1_3 69 18.8306 1444 1440 a-guaiene - -
92 F2_2 210 19.1226 1456 1455 a-humulene - -
93 F3_3 133 19.3339 1464 1464 a-acoradiene -
94 T2_2 105 19.4843 1469 1469 drima-7,9(11)-diene - -
95 T2_1 105 19.4852 1469 1469 drima-7,9(11)-diene - -
96 F7_2 131 19.4915 1470 1469 drima-7,9(11)-diene - -
97 F5_1 91 19.6255 1475 1474 b-cadinene - -
98 F6_3 91 19.7468 1479 1479 y-curcurnene -
99 F2_1 91 19.7581 1480 1480 germacrene D - -
100 F4_1 153 20.0567 1491 1491 cis-β-guaiene - -
101 F4_1 153 20.0567 1491 1491 cis-β-guaiene - -
102 F3_2 71 20.2111 1496 1495 a-zingiberene -
103 F7_2 135 20.3621 1502 1499 a-muurolene - -
104 F5_1 91 20.3727 1503 1506 d-selinene - -
105 T2_1 91 20.3766 1503 1506 d-selinene - -
106 F2_2 91 20.3829 1503 1506 d-selinene -- -
107 F6_1 205 20.6221 1513 1513 g-cadinene - -
108 F4_3 205 20.6237 1513 1513 g-cadinene - -
109 F7_2 205 20.6252 1513 1513 g-cadinene - 5-bromo-4-methoxyoct-1-ene
110 T2_1 205 20.6278 1513 1513 g-cadinene p-Benzoquinone -
111 F3_2 133 20.6781 1516 1514 sesquicineole - -
112 F3_3 133 20.6803 1516 1514 sesquicineole - -
113 F6_3 133 20.685 1516 1514 sesquicineole - -
114 F5_1 69 20.8293 1522 1523 d-cadinene - --
115 F5_1 69 20.9154 1526 1525 eugenyl acetate - -
116 F6_3 69 20.9158 1526 1525 eugenyl acetate - -
117 F7_2 121 20.9204 1526 1525 eugenyl acetate - -
118 T1_3 69 20.9227 1526 1525 eugenyl acetate - -
119 F7_2 167 21.1103 1534 1533 cadina-1,4-diene1 - -
120 T2_2 91 21.1498 1536 1538 a-cadinene - -
121 F6_1 167 21.43 1547 1548 elemol - -
122 F7_2 167 21.4346 1547 1548 elemol - -
123 T1_3 69 21.467 1549 1549 elemol - --
124 F3_2 69 21.4709 1549 1549 elemol - -
125 F7_2 91 21.598 1554 1552 elemicin - -
126 F6_2 91 21.6852 1557 1557 germacrene B - -
127 F5_1 91 21.6859 1558 1557 germacrene B - -
128 F6_3 91 21.6869 1558 1557 germacrene B - -
129 M1_1 91 21.6895 1558 1557 germacrene B - -
130 F6_3 67 21.7268 1559 1557 germacrene B - -
131 F7_2 133 21.8253 1563 1564 β-calacorene - l-Asparagine
132 T1_1 91 21.8405 1564 1564 β-calacorene - -
133 F7_2 167 22.0012 1570 1574 prenopsan-8-ol - -
134 T1_3 213 22.018 1571 1574 prenopsan-8-ol - -
135 F6_3 132 22.0226 1571 1574 prenopsan-8-ol - -
136 F6_3 153 22.0226 1571 1574 prenopsan-8-ol - -
137 M1_1 91 22.3956 1586 1585 gleenol - -
138 F2_2 133 22.5362 1591 1590 viridflorol - -
139 F6_3 71 22.7179 1598 1590 viridflorol - -
140 F3_2 71 22.7193 1598 1590 viridflorol - -
141 F2_3 135 22.722 1598 1590 viridflorol - -
142 F3_3 57 22.7547 1600 1607 b-oplopenone - -
143 F3_2 57 22.7603 1600 1607 b-oplopenone - -
144 F3_3 57 22.761 1600 1607 b-oplopenone - -
145 F6_3 67 22.8782 1605 1607 b-oplopenone - -
146 T2_2 68 23.0541 1613 1612 tetradecanal - -
147 F4_3 148 23.2435 1622 1623 silphiperfol-6-en-5-one - -
148 F3_1 135 23.2485 1622 1623 silphiperfol-6-en-5-one - -
149 F5_3 91 23.52 1634 1633 y-eudesmol - -
150 F4_3 91 23.5226 1634 1633 y-eudesmol - -
151 F7_2 68 23.5261 1634 1633 y-eudesmol - -
152 F7_2 68 23.5261 1634 1633 y-eudesmol - --
153 T2_2 68 23.5278 1634 1633 y-eudesmol - -
154 F6_1 167 23.5309 1634 1633 y-eudesmol -
155 F6_2 67 23.7239 1643 1642 cubenol - allylcy-anide
156 T1_3 91 23.8325 1647 1646 a-muurolol - -
157 F7_2 132 23.8759 1649 1646 a-muurolol - -
158 F7_2 132 23.9988 1654 1653 a-cadinol - -
159 F6_2 149 24.3377 1669 1668 bulnesol - -
160 F7_2 149 24.3428 1669 1668 bulnesol - -
161 F6_3 167 24.6091 1680 1682 a-bisabolol - -
162 F6_1 57 24.6252 1681 1682 a-bisabolol - -
163 F7_2 69 24.8113 1689 1686 8-cedren-13-ol - -
164 F7_2 69 24.8207 1689 1686 8-cedren-13-ol - -
165 F2_3 67 24.9282 1693 1686 8-cedren-13-ol - -
166 F6_1 57 25.0854 1700 1686 8-cedren-13-ol - Heptadecane
167 F7_2 91 25.3006 1710 1686 8-cedren-13-ol - -
168 F3_2 71 25.3224 1711 1735 oplopanone - -
169 F3_3 68 25.4814 1718 1735 oplopanone - -
170 F6_3 67 25.7278 1730 1735 oplopanone - -
171 F7_2 103 25.7292 1730 1735 oplopanone - -
172 F2_1 67 25.7318 1730 1735 oplopanone - -
173 F2_3 133 25.8305 1735 1735 oplopanone - -
174 F3_1 117 25.8366 1735 1735 oplopanone - -
175 F7_2 167 26.3223 1757 1761 benzyl-benzoate - -
176 T2_1 167 26.5838 1769 1761 benzyl-benzoate - 6-Methylmer-captopurine
177 F6_2 117 26.7333 1775 1789 8-a-acetoxyelemol - -
178 T2_2 103 26.8111 1779 1789 8-a-acetoxyelemol - -
179 F3_1 67 26.8577 1781 1789 8-a-acetoxyelemol - -
180 F6_1 67 26.8599 1781 1789 8-a-acetoxyelemol - -
181 F3_2 67 26.8671 1781 1789 8-a-acetoxyelemol - -
182 T2_1 67 26.8697 1781 1789 8-a-acetoxyelemol - -
183 * (Cl2) F6_1 103 26.8838 1782 1789 8-a-acetoxyelemol - -
184 F3_1 103 26.8852 1782 1789 8-a-acetoxyelemol - -
185 * (Br) F6_1 67 27.4286 1806 1798 nootkatone - -
186 * (Br) F7_2 67 27.4342 1806 1798 nootkatone - -
187 F2_1 67 27.4383 1807 1798 nootkatone - -
188 F6_3 103 27.4961 1810 1798 nootkatone - -
189 F6_1 67 27.5012 1810 1798 nootkatone - -
190 F6_2 67 27.5676 1813 1827 isopropyl tetradecanoate - -
191 F6_2 69 28.0351 1836 1827 isopropyl tetradecanoate - -
192 F3_2 69 28.0387 1836 1827 isopropyl tetradecanoate - -
193 F6_1 91 28.3153 1849 1867 flourensiadiol - -
194 F3_2 149 28.735 1869 1867 flourensiadiol - -
195 * (ClBr) F6_2 69 29.2918 1895 1878 hexadecanol - -
196 F5_3 67 29.4766 1903 1927 methyl hexadecanoate - -
197 T2_1 67 29.4889 1904 1927 methyl hexadecanoate - -
198 F7_2 91 30.7705 1968 1999 eicosane - -
199 T2_2 91 30.7753 1969 1999 eicosane - -
200 F3_2 91 30.7855 1969 1999 eicosane - -
201 T2_2 64 31.6475 - - - - -
202 T2_2 129 38.661 - - - - -