Table 2.
No. | Retention time on DB-WAX (min) | Compounds | RIs | Identification and MS ions (EI)a | Total area (%) | Approximate concentration (μg/mL extract)b | |
---|---|---|---|---|---|---|---|
| |||||||
DB-WAX | HP-1 | ||||||
1 | 2.64 | 3-Methyl butanal | 925 | <700 | ++++; M+ 86 (16.67), 44 | 10.8 | B |
2 | 3.50 | 2-Pentanone | 987 | <700 | ++++; M+ 86 (20.02), 43 | 18.0 | A |
3 | 5.00 | 2,3-Pentanedione | 1069 | <700 | +++; M+ 100 (16.32), 43 | 0.7 | C |
4 | 5.41 | Hexanal | 1086 | 779 | ++++; M+ 100 (1.21), 44 | 10.8 | B |
5 | 5.97 | 3-Pentanol | 1110 | <700 | ++++; M+ 88 (0.65),59 | 0.4 | B |
6 | 6.28 | 2-Pentanol | 1124 | <700 | ++++; M+ 88 (1.03), 45 | 1.2 | C |
7 | 6.62 | 2-Butyl furan | 1139 | 880 | +++; M+ 124 (13.46), 81 | 0.3 | C |
8 | 6.85 | 1-Butanol | 1148 | <700 | ++++; M+ 74 (1.86), 56 | 0.1 | D |
9 | 7.81 | 2-Heptanone | 1185 | 872 | ++++; M+ 114 (6.60), 43 | 0.9 | C |
10 | 7.90 | Heptanal | 1188 | 881 | ++++; M+ 114 (2.01), 70 | 1.2 | C |
11 | 8.24 | Dodecane | 1200 | 1199 | ++++; M+ 170 (4.12), 57 | 0.2 | D |
12 | 8.71 | (E)-2-Hexenal | 1219 | 829 | +++; M+ 98 (22.10), 41 | 0.7 | C |
13 | 9.12 | 2-Pentyl-furan | 1236 | 981 | +++; M+ 138 (18.35), 81 | 1.9 | C |
14 | 9.60 | 1-Pentanol | 1254 | 759 | ++++; M+ 88 (1.16), 42 | 1.3 | C |
15 | 9.74 | Styrene | 1259 | 875 | +++; M+ 104 (100.00), 103 (48.72) | 0.3 | C |
16 | 9.93 | Methyl-pyrazine | 1267 | 796 | +++; M+ 94 (100.00), 67 (47.31) | 0.5 | C |
17 | 10.51 | 2-Octanone | 1287 | 964 | +++; M+ 128 (6.18), 43 | 0.7 | C |
18 | 10.63 | Octanal | 1290 | 980 | ++++; M+ 128 (1.20), 43 | 0.8 | C |
19 | 10.87 | 1-Hydroxy-2-propanone | 1299 | <700 | +++; M+ 74 (11.62), 43 | 0.3 | C |
20 | 10.96 | 1-Octen-3-one | 1302 | 959 | ++++; M+ 126 (0.96), 55 | 0.5 | C |
21 | 11.39 | 2,5-Dimethyl-pyrazine | 1320 | 885 | +++; M+ 108 (93.21), 42 | 0.3 | C |
22 | 11.50 | (Z)-2-Heptenal | 1325 | 932 | +++; M+ 112 (6.85), 41 | 0.8 | C |
23 | 11.57 | 2,6-Dimethyl-pyrazine | 1327 | 882 | ++++; M+ 108 (100.00), 42 (90.15) | 0.3 | C |
24 | 11.67 | 2-Methyl-3-octanone | 1331 | 1074 | +++; M+ 142 (4.55), 43 | 0.2 | D |
25 | 12.32 | 1-Hexanol | 1356 | 862 | ++++; M+ 102 (0.58), 56 | 0.9 | C |
26 | 13.07 | 2-Ethyl-6-methyl-pyrazine | 1383 | 976 | +++; M+ 122 (65.87), 121 | 0.2 | D |
27 | 13.25 | 2-Nonanone | 1390 | 1072 | +++; M+ 142 (8.94), 43 | 0.5 | C |
28 | 13.38 | Nonanal | 1394 | 1083 | ++++; M+ 142 (1.01), 57 | 1.6 | C |
29 | 13.70 | (E)-3-Octen-2-one | 1406 | 1014 | +++; M+ 126 (14.38), 43 | 0.3 | C |
30 | 14.26 | (E)-2-Octenal | 1430 | 1034 | +++; M+ 126 (3.29), 41 | 0.8 | C |
31 | 14.88 | 1-Octen-3-ol | 1454 | 981 | ++++; M+ 128 (0.60), 57 | 1.6 | C |
32 | 14.96 | Acetic acid | 1457 | <700 | ++++; M+ 60 (76.08), 43 | 2.7 | B |
33 | 15.21 | Furfural | 1467 | 802 | ++++; M+ 96 (100.00), 95 (99.23) | 1.8 | C |
34 | 15.76 | (Z)-6-Nonenal | 1488 | 1007 | +++; M+ 140 (0.85), 41 | 0.2 | D |
35 | 15.93 | 2-Decanone | 1494 | 1173 | +++; M+ 156 (5.11), 58 | 0.4 | C |
36 | 16.53 | Pyrrole | 1518 | 748 | ++++; M+ 67 (100.00), 39 (64.74) | 0.3 | C |
37 | 16.60 | Benzaldehyde | 1521 | 929 | ++++; M+ 106 (96.18), 77 | 0.8 | C |
38 | 16.93 | 2-Nonenal | 1535 | 1144 | +++; M+ 140 (3.96), 43 | 0.5 | C |
39 | 17.33 | Linalool | 1552 | 1088 | ++++; M+ 154 (1.24), 71 | 0.2 | D |
40 | 17.53 | 1-Octanol | 1560 | 1069 | ++++; M+ 130 (0.34), 56 | 0.4 | C |
41 | 17.88 | 5-Methyl-2-furancarboxaldehyde | 1574 | 939 | +++; M+ 110 (100.00), 109 (79.03) | 0.2 | D |
EI = electron impact; GC–MS = gas chromatography–mass spectrometry; RI = retention index.
The reliability of the proposed identification has been indicated according to the following: ++++, mass spectrum and retention indices both on polar and nonpolar columns agreed with those of the standards, mass spectral libraries and literature; +++, mass spectrum and retention indices both on polar and nonpolar columns agreed with mass spectral libraries and the literature; ++, mass spectrum and retention index on a polar column agreed with the mass spectral libraries and the literature. MS ions (EI) were given by GC-MS on a DB-WAX column. They consisted of molecular ion M+ (relative abundance) and the base peak ion, or the peak ion with the second-highest relative abundance if the molecular ion was the base peak.
A: 500–1000; B: 100–500; C: 10–100; and D: 1–10.