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. 2015 Sep 14;20(9):16687–16708. doi: 10.3390/molecules200916687

Table 4.

Volatile compounds identified in different coffee (Coffea Robusta) cultivars detected by HS-SPME/GC-MS methodology.

No. Rt (min) Compounds RI Identification Formula Mol. Wt
1 3.080 3-Methylbutanal 912 MS, RI C5H10O 86
2 3.483 Ethanol 944 MS, RI C2H6O 46
3 4.232 Pentanal 978 MS, RI C5H10O 86
4 5.744 Toluene 1008 MS, RI C7H8 92
5 7.195 Hexanal 1053 MS, RI C6H12O 94
6 11.853 Pyridine 1159 MS, RI C5H5N 79
7 12.141 Heptanal 1165 MS, RI C7H14O 114
8 12.743 d-Limonene 1176 MS, RI C10H16 94
9 13.833 2-Hexenal 1197 MS, RI C6H10O 98
10 15.072 2-Pentylfuran 1216 MS, RI C9H14O 138
11 16.752 1-Pentanol 1240 MS, RI C5H12O 88
12 16.892 Methylpyrazine 1243 MS, RI C5H6N2 94
13 18.769 Octanal 1270 MS, RI C8H16O 128
14 20.298 Tridecane 1294 MS, RI C13H28 184
15 20.867 (Z)-2-Heptenal 1301 MS, RI C7H12O 112
16 21.307 2,6-Dimethylpyrazine 1307 MS, RI C6H8N2 108
17 21.644 Ethylpyrazine 1312 MS, RI C6H8N2 108
18 22.213 6-Methyl-5-hepten-2-one 1319 MS, RI C8H14O 126
19 24.737 2,6,10,14-Tetramethylhexadecane 1353 MS, RI C20H42 282
20 25.310 3,5-Dimethyldodecane 1360 MS, RI C14H30 198
21 26.465 Nonanal 1376 MS, RI C9H18O 142
22 27.177 4,8-Dimethyltridecane 1385 MS, RI C15H32 212
23 27.565 (E)-3-Tetradecene 1390 MS, RI C14H28 196
24 28.071 Tetradecane 1397 MS, RI C14H30 198
25 28.713 2-Dodecenal 1405 MS, RI C12H22O 182
26 30.565 Acetic acid 1429 MS, RI C2H4O2 60
27 31.336 7-Methylpentadecane 1439 MS, RI C16H34 226
28 31.679 1-Octen-3-ol 1444 MS, RI C8H16O 128
29 32.052 4-Methyltetradecane 1449 MS, RI C15H32 212
30 32.421 10-Methyleicosane 1453 MS, RI C21H44 296
31 33.129 3-Methyltetradecane 1463 MS, RI C15H32 212
32 34.471 1,1′-(1,3-Propanediyl)bis-cyclohexane 1480 MS, RI C15H28 208
33 35.032 Benzaldehyde 1487 MS, RI C7H6O 106
34 36.022 Pentadecane 1500 MS, RI C15H32 212
35 36.805 2-Methyl-(Z)-4-tetradecene 1510 MS, RI C15H30 210
36 39.743 4-Methyldodecane 1549 MS, RI C13H28 184
37 40.108 2-Methylpentadecane 1554 MS, RI C16H34 226
38 40.821 Benzeneacetic acid-2-tetradecyl ester 1563 MS, RI C22H36O2 332
39 41.121 2-Tridecanol 1567 MS, RI C13H28O 200
40 41.383 (Z)-3-Hexadecene 1570 MS,RI C16H32 224
41 42.313 Butyrolactone 1583 MS, RI C4H6O2 86
42 42.580 n-Nonylcyclohexane 1586 MS, RI C15H30 210
43 43.565 Hexadecane 1599 MS, RI C16H34 226
44 44.033 Benzeneacetaldehyde 1605 MS, RI C8H8O 120
45 44.672 1-Heptacosanol 1614 MS, RI C27H56O 396
46 45.333 2,6,10-Trimethylpentadecane 1623 MS, RI C18H38 254
47 47.460 Methoxyacetic acid-2-tetradecyl ester 1652 MS, RI C17H30O3 286
48 47.687 3-Methylbutanoic acid 1655 MS, RI C5H10O2 102
49 48.213 3-Methylhexadecane 1662 MS, RI C17H36 240
50 48.907 2,6,10,14-Tetramethylpentadecane 1672 MS, RI C19H40 268
51 50.221 Naphthalene 1690 MS, RI C10H8 128
52 50.726 Heptadecane 1697 MS, RI C17H36 240
53 52.640 2-Methyl-(E)-7-octadecene 1724 MS, RI C19H38 266
54 53.183 Methyl salicylate 1731 MS, RI C8H8O3 152
55 56.140 2,6,10,14-Tetramethylhexadecane 1773 MS, RI C20H42 282
56 56.296 3-Methyl-2-butenoic acid 1776 MS, RI C5H8O2 100
57 57.592 Octadecane 1794 MS, RI C18H38 254
58 57.812 2-Cyclohexyldecane 1797 MS, RI C16H32 224
59 60.186 Hexanoic acid 1833 MS, RI C6H12O2 116
60 61.697 2,2,4-Trimethyl-3-carboxy isopropylpentanoic acid, isobutyl ester 1857 MS, RI C6H30O4 286
61 63.323 Phenylethyl alcohol 1882 MS, RI C8H10O 122
62 66.212 1-(1H-pyrrol-2-yl)-ethanone 1940 MS, RI C6H7NO 109
63 67.180 1-Tetradecanol 1962 MS, RI C14H30O 214
64 67.914 Phenol 1978 MS, RI C6H6O 94
65 68.217 Dihydro-5-pentyl-2(3H)-furanone 1985 MS, RI C9H16O2 156
66 68.556 2-Pyrrolidinone 1993 MS, RI C4H7NO 85
67 69.107 Octadecanal 2008 MS, RI C18H36O 268
68 69.481 Eicosane 2019 MS, RI C17H36 240
69 73.400 Caprolactam 2142 MS, RI C6H11NO 113
70 73.992 2-Methoxy-4-vinyphenol 2163 MS, RI C9H10O2 150
71 75.083 Hexadecanoic acid methyl ester 2202 MS, RI C17H34O2 270
72 75.954 2-Methyl-2-cyclopenten-1-one 2237 MS, RI C6H8O 96
73 76.094 Hexadecanoic acid ethyl ester 2243 MS, RI C18H36O2 284
74 76.746 n-Decanoic acid 2268 MS, RI C10H20O2 172
75 77.221 5,6,7,7a-Tetrahydro-4,4,7a-trimethyl-2(4H)-benzofuranone 2287 MS, RI C11H16O2 180
76 82.546 3-Hydroxy-4-methoxybenzaldehyde 2527 MS, RI C8H8O3 152
77 85.466 1,2-Benzenedicarboxylic acid-butyl-2-methylpropyl ester 2669 MS, RI C16H22O4 278