Table 1.
S.No | RT | RI | Mol. wt |
Mol. formula |
Compound name | Content (%) | Hits (DB) |
---|---|---|---|---|---|---|---|
1 | 1.31 | 484 | 60 | C2H4O2 | Methyl formate | 0.1 | 5 |
2 | 1.32 | 651 | 44 | C2H4O | Acetaldehyde | 0.8 | 5 |
3 | 1.33 | 282 | 60 | C3H8O | Isopropyl alcohol | 5.4 | 5 |
4 | 1.38 | 671 | 86 | C5H10O | 4-Penten-2-ol | 1.2 | 5 |
5 | 1.39 | 681 | 88 | C5H10O | 2- Pentanol | 1.0 | 5 |
6 | 1.40 | 515 | 74 | C3H6O2 | Methyl ethanoate | 0.4 | 5 |
7 | 1.41 | 722 | 102 | C4H6O3 | Propanoic acid | 0.6 | 4 |
8 | 1.42 | 487 | 74 | C3H6O2 | Acetic acid, methyl ester | 6.4 | 5 |
9 | 1.43 | 576 | 60 | C2H4O2 | Acetic acid | 1.2 | 5 |
10 | 1.43 | 850 | 130 | C7H14O2 | Butanoic acid, 2-methyl-, ethyl ester | 0.2 | 5 |
11 | 1.59 | 699 | 182 | C2H2Cl4O | Bis -dichloromethyl -ether | 8.5 | 3 |
12 | 1.60 | 662 | 74 | C4H10O | 1-Butanol | 1.4 | 5 |
13 | 1.68 | 783 | 102 | C5H10O2 | n-Butyl-formate | 0.4 | 4 |
14 | 1.69 | 913 | 132 | C6H12OS | Ethanethioic acid, S- (2-methylpropyl) ester | 0.9 | 5 |
15 | 6.66 | 1074 | 120 | C4H8O4 | 1,4-Dioxane-2,5-diol | 0.7 | 5 |
16 | 7.47 | 1068 | 116 | C5H8O3 | Pentanoic acid, 4-oxo | 9.5 | 1 |
17 | 10.01 | 1185 | 156 | C10H20O | Decanal | 0.7 | 5 |
18 | 10.32 | 1732 | 176 | C10H8O3 | Coumarin, 7-methoxy | 15.4 | 5 |
19 | 11.41 | 1056 | 130 | C8H18O | 5-methyl −3-Heptanol | 0.5 | 5 |
20 | 12.05 | 1504 | 212 | C13H24O2 | Cis-5-Dodecenoic acid, methyl ester | 13.1 | 4 |
21 | 12.31 | 1316 | 150 | C9H10O2 | 2-Methoxy-4-vinylphenol, (p-Vinylguaiacol) | 10.5 | 5 |
22 | 12.71 | 987 | 128 | C8H16O | 5-Hepten-2-one, 6-methyl | 12.4 | 4 |
23 | 13.59 | 1374 | 172 | C10H20O2 | n-Decanoic acid | 11.3 | 5 |
24 | 14.23 | 878 | 144 | C8H16O2 | Ethyl 3,3-dimethylbutanoate | 0.4 | 5 |
25 | 14.77 | 934 | 116 | C5H8O3 | 4-hydroxy, 2-Pentenoic acid | 1.2 | 10 |
26 | 15.02 | 1038 | 154 | C10H18O | 2,5-Dimethyl-3-vinyl-4-hexen-2-ol | 9.8 | 10 |
27 | 15.05 | 1436 | 186 | C10H18O3 | Nonanoic acid, 9-oxo-methyl ester | 1.3 | 10 |
28 | 18.01 | 1307 | 158 | C9H18O2 | Nonanoic acid | 1.9 | 10 |
29 | 18.21 | 1421 | 204 | C15H24 | (−)-Caryophyllene | 31.2 | 5 |
30 | 18.80 | 1600 | 220 | C15H24O | Humulene Epoxide | 25.4 | 5 |
31 | 19.31 | 1570 | 220 | C15H24O | (−) Caryophyllene oxide | 39.4 | 5 |
32 | 19.31 | 1561 | 255 | C16H17NO2 | 1-Phenyl-2-(4-methylphenyl)-3-nitropropane | 1.4 | 5 |
33 | 19.32 | 1005 | 118 | C8H6O2 | Benzofuran | 9.5 | 5 |
34 | 20.51 | 1522 | 218 | C9H9NO4 | 2,3-Pyridinedicarboxylic acid, dimethyl ester | 0.5 | 5 |
35 | 22.17 | 1692 | 222 | C14H22O2 | 2,2,6-Trimethyl-1-(3-methylbuta-1,3-dienyl)-7-oxabicyclo [4.1.0]heptan-3-ol | 1.5 | 4 |
36 | 23.91 | 1723 | 222 | C15H26O | 3,3,7-Trimethyltricyclo [5.3.1.02.8] undecane-11-methanol, (−)-Isolongifolol | 3.5 | 4 |
37 | 24.05 | 1806 | 278 | C20H38 | 7,11,15-trimethyl-3-methylidenehexadec-1-ene (Neophytadiene) | 11.3 | 10 |
38 | 24.82 | 1869 | 242 | C15H30O2 | Pentadecanoic acid | 4.0 | 10 |
39 | 24.83 | 2114 | 296 | C20H40O | 3,7,11,15-Tetramethyl-2-hexadecen-1-ol (Phytol) | 10.4 | 10 |
40 | 24.90 | 2101 | 292 | C19H32O2 | 9,12,15-Octadecatrienoic acid, methyl ester | 4.1 | 10 |
41 | 25.03 | 2114 | 280 | C20H40O | 3,7,11,15-Tetramethyl-2-hexadecen-1-ol | 2.5 | 5 |
42 | 25.03 | 3378 | 469 | C32H52O2 | 9,19-Cycloergost-24, 28-en-3-ol, 4,14-dimethyl acetate | 1.1 | 5 |
43 | 25.30 | 1195 | 172 | C10H20O2 | Octanoic acid, ethyl ester | 0.9 | 5 |
44 | 27.55 | 1968 | 256 | C16H32O2 | n-hexadecanoic acid (Palmitic acid) | 0.4 | 5 |
45 | 27.70 | 4765 | 653 | C38H68O8 | (L-Ascorbyl 2,6-Dipalmitate) (+)-Ascorbic acid 2,6-dihexadecanoate | 15.4 | 5 |
46 | 27.75 | 1869 | 242 | C15H30O2 | Pentadecanoic acid | 4.2 | 5 |
47 | 30.85 | 2183 | 280 | C18H32O2 | Cis-cis-9,12- octadecadienoic acid (Linoleic acid) | 1.5 | 4 |
48 | 30.85 | 2721 | 352 | C21H36O4 | Linolenic acid, 2-hydroxy-1-(hydroxymethyl) ethyl ester | 7.9 | 4 |
49 | 31.00 | 2499 | 348 | C23H40O2 | 8, 11, 14- Docosatrienoic acid | 11.0 | 5 |
50 | 32.01 | 2300 | 320 | C20H34O2 | 8, 11, 14-Eicosatrienoic acid | 0.5 | 5 |
51 | 31.05 | 2101 | 292 | C18H30O2 | 9, 12, 15-Octadecatrienoic acid | 8.8 | 5 |
52 | 31.07 | 2266 | 334 | C11H20O2 | Cyclo propane octanoic acid | 1.5 | 5 |
53 | 32.08 | 2093 | 294 | C18H32O2 | Cis-cis-9, 12-Octadecadienoic acid-methyl ester | 14.0 | 5 |
54 | 32.03 | 2808 | 238 | C16H30O | Cis-9-Hexadecanal | 9.0 | 1 |
55 | 32.07 | 1609 | 210 | C14H26O | 7-Tetradecanal | 2.5 | 3 |
56 | 32.08 | 2042 | 306 | C15H24O2 | Dichloroacetic acid, tridec-2-ynyl ester | 3.6 | 4 |
57 | 32.09 | 2007 | 266 | C18H34O | 9-Octadecenal | 4.7 | 5 |
58 | 32.10 | 2292 | 322 | C21H38O2 | Cis-11,14-Eicosadienoic acid, methyl ester | 1.8 | 5 |
59 | 32.21 | 2175 | 282 | C18H34O2 | 9-Octadecenoic acid | 9.4 | 4 |
60 | 32.23 | 2230 | 296 | C19H36O2 | 10, 2-Hexacyclo propyl decanoic acid | 2.5 | 4 |
61 | 32.59 | 2167 | 284 | C18H36O2 | Octadecanoic acid | 14.1 | 1 |
62 | 32.60 | 2266 | 334 | C22H38O2 | Cyclopropaneoctanoic acid | 2.7 | 3 |
63 | 32.72 | 1226 | 138 | C8H14N2 | 1-Butyl-2-methyl-1H-imidazole | 1.5 | 3 |
64 | 43.00 | 1897 | 250 | C9H18N2O4S | 2-Butanone, 3,3-dimethyl-1-(methylsulfonyl)-, O-[(methylamino)carbonyl]oxime | 1.4 | 5 |
65 | 43.03 | 2715 | 424 | C28H56O2 | Tricosanoic acid | 19.5 | 5 |
66 | 43.05 | 2600 | 320 | C16H17ClN2O3 | 4 (4-Chlorophenyl)-3 morpholinopyrrol-2-carboxylic acid | 0.1 | 5 |
67 | 43.07 | 1034 | 172 | C10H20O2 | 2-t-Butylpentanoic acid | 1.3 | 5 |
68 | 44.34 | 2241 | 294 | C19H34O2 | E, E, Z-1, 3, 12-Nonadecatriene-5, 14-diol | 0.7 | 2 |
RT Retention time, RI Retention indices