Table 1. Volatile compounds from the headspace of yellow-orange exocarp coffee berries (C. arabica).
# | RT [min] | RI | chemical name | rel. Int. ripe berries | rel. Int. green berries |
1 | 5.57 | 763 | Toluene | 19 | 68 |
2 | 7.81 | 849 | 4-Hydroxy-4-methylpentane-2-one | 3 | |
3 | 8.22 | 865 | Ethylbenzene | 2 | 14 |
4 | 8.42 | 872 | C2-Benzene | 14 | 50 |
5 | 8.96 | 893 | Styrene | 29 | 16 |
6 | 9.02 | 896 | C2-Benzene | tr | 14 |
7 | 9.58 | 921 | Anisol | 8 | |
8 | 10.12 | 947 | Frontalin | tr | |
9 | 10.52 | 966 | C3-Benzene | 4 | 44 |
10 | 10.72 | 976 | 2-Methoxy-3-methylpyrazinea | tr | |
11 | 10.90 | 984 | C3-Benzene | 1 | |
12 | 11.11 | 994 | 6-Methyl-5-heptene-2-onea | tr | |
13 | 11.15 | 996 | C3-Benzene | 7 | 43 |
14 | 11.37 | 1008 | α-Phellandrene | 5 | |
15 | 11.62 | 1022 | 3-Ethyl-4-methylpentanola,b | tr | |
16 | 11.67 | 1024 | m-Methylanisol | 5 | 19 |
17 | 11.76 | 1029 | p-Cymene | 1 | 12 |
18 | 11.84 | 1034 | β-Phellandrene | 27 | 13 |
19 | 12.11 | 1050 | 1,6-Dioxaspiro[4.5]decaneb | 1 | |
20 | 12.25 | 1057 | Methyl 3-ethyl-4-methylpentanoateb | 34 | 51 |
21 | 12.34 | 1062 | (5R,7S)-Conophthorin | 100 | 65 |
22 | 12.63 | 1079 | trans-Linalool oxide (furanoid) | 13 | 5 |
23 | 12.79 | 1088 | Chalcograna | 2 | |
24 | 12.85 | 1091 | Chalcograna,b | tr | |
25 | 12.90 | 1094 | cis-Linalool oxide (furanoid) | 9 | 8 |
26 | 12.99 | 1099 | 3-(1-Methylethyl)-2-methoxypyrazine | 1 | |
27 | 13.08 | 1105 | Linalool | 3 | 3 |
28 | 13.21 | 1113 | 6-Ethenyldihydro-2,2,6-trimethyl-2H-pyran-3(4H)-one | 7 | |
I | 13.35 | 1121 | (E)-4,8-Dimethylnona-1,3,7-triene | 35 | |
29 | 13.61 | 1138 | (5S,7S)-Conophthorinb | 3 | |
30 | 13.75 | 1147 | 1-Terpineol | 21 | |
31 | 13.99 | 1162 | Isomenthone | 1 | |
32 | 14.26 | 1179 | 3-sec-Butyl-2-methoxypyrazine | 2 | |
33 | 14.38 | 1186 | 3-Isobutyl-(2-Methylpropyl-2-methoxypyrazine | 12 | |
34 | 14.49 | 1193 | Naphthalene | 6 | 100 |
35 | 14.51 | 1195 | Dillether | 5 | |
II | 14.64 | 1203 | Methyl salicylate | 15 | |
III | 14.80 | 1214 | 1-Methylethyl benzoate | 15 | |
36 | 17.49 | 1407 | Sativenec | 6 | |
37 | 17.58 | 1414 | Unknown sesquiterpene | 10 | |
38 | 17.80 | 1432 | α-Cedrene | 19 | 69 |
39 | 17.94 | 1442 | Acora-3,5-dienec | 11 | |
40 | 18.34 | 1474 | Prezizaenec | 21 | 6 |
41 | 18.47 | 1485 | β-Acoradienec | 7 | |
42 | 18.59 | 1493 | α-Neocallitropsenec | 45 | 34 |
43 | 18.86 | 1515 | α-Muurolenec | 19 | |
44 | 19.03 | 1530 | Unknown sesquiterpene | 2 | |
45 | 19.15 | 1539 | δ-Cadinenec | 3 | |
IV | 19.73 | 1587 | (E)-Dendrolasin | 21 | |
46 | 20.87 | 1687 | Oxygenated sesquiterpene | 19 | |
47 | 21.18 | 1715 | Oxygenated sesquiterpene | 59 | |
48 | 23.76 | 1964 | Hexadecanoic acid | 3 | 7 |
V | 24.39 | 2029 | 1-Methylethyl hexadecanoate | 22 | |
49 | 24.86 | 2079 | Kaurene | 4 | 24 |
rel. Integ below 0.05.
synthesized in Hamburg.
sesquiterpene, tentative structure.
tr trace.
c contaminant.