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. 2020 Jan 31;29:105219. doi: 10.1016/j.dib.2020.105219

Table 1.

Retention times, identified compounds, and relative peak areas (%) from the GC chromatogram of Robusta coffee flower.

Retention Time (min.)(n = 3)
Compounds Relative Peak Area (%)
(n = 3)
1 2 3 1 2 3
1.794 1.794 Ethanol 3.62 n.d 3.3
4.309 Cyclobutylcarboxylic acid n.d 0.34 n.d
6.450 6.438 Butanoic acid, 3-methyl-, ethyl ester 0.17 n.d 0.27
6.515 1H-Indole, 5-methyl-2-phenyl- n.d 0.05 n.d
7.009 1-Butanol n.d 0.04 n.d
7.693 Carbamic acid, methyl-, ethyl ester n.d n.d 0.02
8.073 2-Heptanol n.d n.d 0.16
8.076 2-Pentadecanol 0.11 n.d n.d
8.079 4-Methyl-2-hexanol n.d 0.04 n.d
10.303 10.232 10.291 Benzaldehyde 0.23 0.13 0.10
11.308 11.314 11.290 β-Myrcene 0.67 0.73 0.54
12.574 12.574 12.568 d-Limonene 0.15 0.18 0.12
13.228 13.335 13.228 Benzyl alcohol 4.92 3.23 3.09
14.073 14.655 Ethyl 2-(5-methyl-5-vinyltetrahydrofuran-2-yl)propan-2-yl carbonate 0.69 0.53 n.d
14.085 14.090 trans-Linalool oxide (furanoid) n.d 0.60 0.48
14.810 14.822 14.804 Benzoic acid, methyl ester 2.70 1.15 1.62
15.440 15.541 15.458 Linalool 22.29 27.03 22.23
15.642 15.726 15.654 Phenylethyl Alcohol 0.20 0.17 0.20
15.993 16.035 15.999 2,4,6-Octatriene, 2,6-dimethyl-, (E,Z)- 0.13 0.15 0.10
16.754 16.962 Benzyl nitrile 14.56 0.04 n.d
16.944 3,6-Dimethyl-2,3,3a,4,5,7a-hexahyd robenzofuran n.d n.d 0.05
17.135 Benzene, (isocyanomethyl)- n.d n.d 1.37
17.135 17.141 Isoneral 0.04 0.04 n.d
17.343 17.349 17.343 Benzoic acid, ethyl ester 1.50 0.88 1.37
17.498 Deltacyclene 2.03 n.d n.d
17.509 17.491 5H-1-Pyrindine n.d 1.74 1.54
17.670 17.676 17.658 Indole 1.50 1.33 1.17
17.896 17.908 17.896 α-Terpineol 0.02 0.02 0.01
18.009 Methyl salicylate n.d 0.29 n.d
18.027 18.021 Dodecane 0.19 n.d 0.18
18.687 18.693 18.687 6-Octen-1-ol, 7-methyl-3-methylene 0.03 0.03 0.02
19.020 19.055 19.020 2,6-Octadien-1-ol, 3,7-dimethyl-, (Z)- 1.96 2.62 1.84
19.127 19.406 19.127 3,6-Octadien-1-ol, 3,7-dimethyl-,(Z)- 0.20 0.10 0.19
19.317 19.341 19.317 2,6-Octadienal, 3,7-dimethyl-, (Z) Citral 0.15 0.22 0.12
19.418 19.424 Benzeneacetic acid, ethyl ester 0.24 n.d 0.38
19.781 19.816 19.781 Geraniol 1.76 2.07 1.59
20.155 20.155 2,6-Octadienal, 3,7-dimethyl-, (E) 0.29 n.d 0.31
20.173 2,6-Octadienal, 3,7-dimethyl- n.d 0.38 n.d
20.322 2,6-Octadien-1-ol, 3,7-dimethyl-, (Z)- 0.02 n.d n.d
20.405 2,6-Octadienoic acid, 3,7-dimethyl -, methyl ester n.d n.d 0.01
20.548 5-Tridecene, (E)- 0.04 n.d n.d
20.554 20.548 6-Tridecene, (E)- n.d 0.04 0.03
21.018 21.018 21.023 Tridecane 5.50 5.01 5.46
21.291 21.434 21.291 Indole 0.02 0.01 0.02
21.582 21.582 trans-Geranic acid methyl ester 0.10 n.d 0.11
22.153 22.153 22.147 Methyl anthranilate 0.76 0.65 0.58
22.278 22.278 Benzenepropanoic acid, ethyl ester 0.14 n.d 0.11
23.087 5-Tetradecene, (E)- n.d 0.02 n.d
23.087 3-Tetradecene, (Z)- n.d n.d 0.01
23.081 23.206 7-Tetradecene, (Z)- 0.01 0.00 n.d
23.331 23.331 23.330 3-Tetradecene, (E)- 0.03 0.03 0.03
23.551 23.551 23.550 Tetradecane 0.41 0.38 0.43
23.872 23.872 23.872 Benzoic acid, 2-(methylamino)-, methyl ester 0.01 0.01 0.01
24.175 Caryophyllene n.d 0.00 n.d
25.754 25.751 25.750 1-Tridecene 4.56 4.36 4.60
25.858 n-Tridecan-1-ol 1.07 n.d n.d
25.858 25.857 Cyclopentadecane n.d 1.00 1.09
26.583 26.583 26.607 Pentadecane 18.68 17.12 19.24
28.064 Succinic acid, di(3-methylbut-3-enyl) ester 0.00 n.d n.d
28.069 Succinic acid, hex-4-yn-3-yl 3-methylbut-3-en-1-yl ester n.d n.d 0.00
28.064 Supraene n.d 0.00 n.d
28.301 Benzene, [(2,2-dimethylcyclopropyl)methyl]- 0.00 n.d n.d
28.593 28.593 (3E,7E)-4,8,12-Trimethyltrideca-1,3,7,11-tetraene 0.07 n.d 0.09
28.593 Squalene n.d 0.00 n.d
29.134 29.128 29.134 Hexadecane 0.07 0.05 0.06
29.532 Pentadecanal- 0.03 n.d n.d
29.532 29.532 Tetradecanal n.d 0.05 0.02
31.072 31.072 31.072 6,9-Heptadecadiene 0.27 0.05 0.28
31.209 31.209 1,4-Cyclooctadiene, (Z,Z)- 0.17 n.d 0.16
31.209 Tricyclo[4.2.1.1(2,5)]decan-3-ol n.d 0.18 n.d
31.411 31.399 31.411 8-Heptadecene 3.51 2.86 3.34
31.893 31.881 31.893 Heptadecene 1.21 0.95 1.22
32.089 Pentadecafluorooctanoic acid, dodecyl ester n.d 0.01 n.d
32.095 32.243 Cyclopentane, pentyl- 0.01 n.d 0.00
32.244 3,6-Octadienal, 3,7-dimethyl- 0.01 n.d n.d
32.244 Cyclohexene, 4-methyl- n.d 0.01 n.d
32.434 3,4-Octadiene, 7-methyl- n.d 0.01 n.d
32.440 Cyclododecene, (E)- 0.01 n.d n.d
32.440 E,E-10,12-Hexadecadienal n.d n.d 0.00
33.260 33.260 33.266 Z,Z-10,12-Hexadecadienal 0.00 0.00 0.00
34.241 34.247 Octadecane n.d 0.03 0.03
34.247 Dodecane, 2,6,11-trimethyl- 0.03 n.d n.d
34.396 34.396 cis-11-Hexadecenal 0.00 0.01 n.d
34.396 13-Octadecenal, (Z)- n.d n.d 0.00
34.669 34.670 Tetradecanal 0.16 0.18 n.d
34.669 Hexadecanal n.d n.d 0.17
34.872 Isopropyl myristate 0.00 n.d n.d
35.692 9-Tetradecen-1-ol, acetate, (Z)- n.d n.d 0.01
35.698 1,9-Tetradecadiene 0.01 n.d n.d
35.787 Z-1,6-Tridecadiene 0.01 n.d n.d
35.787 35.787 Cyclododecene n.d 0.01 0.01
35.924 9,12,15-Octadecatrienal 0.01 n.d n.d
35.924 35.924 9,12-Octadecadien-1-ol, (Z,Z) n.d 0.01 0.01
36.019 36.138 9-Nonadecene 0.02 0.00 n.d
36.019 36.019 Z-5-Nonadecene n.d 0.02 0.02
36.120 Cyclotetradecane n.d n.d 0.02
36.126 1-Nonadecene 0.02 n.d n.d
36.501 36.501 36.507 Nonadecane 0.47 0.46 0.55
38.546 38.540 38.540 Eicosane 0.01 0.01 0.01
40.479 40.479 40.479 Heneicosane 0.02 0.02 0.06
43.594 43.600 43.594 9-Tricosene, (Z)- 0.00 0.00 0.00