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. 2022 Dec 7;11(24):3949. doi: 10.3390/foods11243949

Table 1.

Content of volatile compounds in original and fermented highland barley samples.

Number RT Unknown RI Literature RI Compounds Aroma Characteristics CAS# Relative Content/(%)
HB SC-HB TS-HB SR-HB ME-HB CM-HB
Aldehydes (16) 61.67 52.83 38.49 44.68 36.88 45.17
1 26.34 1208 1206 Decanal Green, Cucumber, Citrus 112-31-2 4.63 ± 0.27 a 0.51 ± 0.10 d 0.87 ± 0.07 cd 1.32 ± 0.06 b 0.97 ± 0.21 bc 1.09 ± 0.12 bc
2 6.86 802 800 Hexanal Grass, Oil 66-25-1 33.34 ± 3.91 a 0.59 ± 0.22 d 8.66 ± 1.66 bc 10.48 ± 1.98 b 5.03 ± 0.89 c 5.79 ± 1.25 c
3 20.62 1109 1102 Nonanal Fat, Fruity 124-19-6 6.23 ± 0.67 a 1.08 ± 0.32 c 1.17 ± 0.10 c 1.79 ± 0.21 c 4.12 ± 0.67 b 1.15 ± 0.17 c
4 10.74 901 902 Heptanal Green, Fruity 111-71-7 3.89 ± 0.76 a ND 0.21 ± 0.07 b ND 0.21 ± 0.11 b 0.39 ± 0.13 b
5 18.07 1059 1049 Phenylacetaldehyde Honey, Flower 122-78-1 4.67 ± 1.66 c 13.82 ± 1.46 ab 18.30 ± 2.01 a 10.51 ± 0.54 b 11.99 ± 1.53 b 3.87 ± 0.23 c
6 13.34 963 961 Benzaldehyde Almond, Caramel 100-52-7 8.05 ± 0.95 b 12.72 ± 1.30 a 6.77 ± 0.42 c 14.63 ± 1.11 a 9.37 ± 0.68 b 6.46 ± 0.30 bc
7 18.64 1072 1064 trans-2-Octen-1-al Grass, Oil 2548-87-0 0.86 ± 0.19 c 0.25 ± 0.04 c 1.17 ± 0.34 c 2.55 ± 0.67 bc 5.20 ± 1.33 b 9.08 ± 1.36 a
8 28.65 1278 1274 2-Phenylcrotonaldehyde Musty, Floral, tea 4411-89-6 ND 1.45 ± 0.24 a ND ND ND ND
9 11.38 917 911 3-methylthiopropionaldehyde Stench 3268-49-3 ND 1.96 ± 0.31 a ND ND ND ND
10 9.28 863 846 furan-3-carboxaldehyde Burnt, Nutty aroma 498-60-2 ND 20.46 ± 2.41 a 1.08 ± 0.07 b ND ND ND
11 33.75 1582 1573 Peach aldehyde Peach 104-67-6 ND ND 0.27 ± 0.05 a ND ND ND
12 30.49 1366 1362 gamma-nonanoic lactone Fat, Coconut 104-61-0 ND ND ND 2.45 ± 0.38 a ND- 3.04 ± 0.86 a
13 13.26 962 956 trans-2-Heptenal Oil, Grass, Fruit 18829-55-5 ND ND ND 0.94 ± 0.12 a ND ND
14 14.37 987 - 2-Ethyl-2-hexenal - 645-62-5 ND ND ND ND ND 2.95 ± 0.45 a
15 30.70 1378 1372 (E)-2-butyloct-2-enal Green, Oily 13019-16-4 ND ND ND ND ND 5.88 ± 0.78 a
16 12.75 949 - Cyclohexanecarboxaldehyde - 2043-61-0 ND ND ND ND ND 5.47 ± 1.20 a
Alcohols (8) - 6.34 12.52 25.55 46.35 41.16 22.04
1 14.24 984 986 1-Octen-3-ol Mushroom, Green 3391-86-4 6.34 ± 1.65 e 9.31 ± 1.84 de 15.42 ± 1.41 cd 31.15 ± 2.68 b 27.54 ± 0.79 a 12.17 ± 1.24 c
2 5.73 752 768 1-Pentanol Mixed alcohol oil 71-41-0 ND 0.34 ± 0.07 a ND ND ND ND
3 21.04 1116 1114 2-Phenylethanol Wood incense 60-12-8 ND 2.40 ± 0.28 b 7.10 ± 0.15 b ND 13.62 ± 1.45 a 4.72 ± 0.35 b
4 29.71 1319 1313 (1S,2S,3R,5S)-(+)-2,3-Pinanediol Balsamic 18680-27-8 ND 0.47 ± 0.11 a ND ND ND ND
5 18.82 1174 - Cyclooctanol - 696-71-9 ND ND 1.89 ± 0.18 a ND ND ND
6 9.59 871 867 1-Hexanol Grass fragrance 111-27-3 ND ND 0.99 ± 0.17 b 14.82 ± 1.32 a ND 1.11 ± 0.21 b
7 20.62 1107 1104 Linalool Floral, Lily of the valley 78-70-6 ND ND 0.15 ± 0.02 b ND ND 3.07 ± 0.28 a
8 33.80 1584 1571 Nerolidol Green, Floral, Fruity aromas 7212-44-4 ND ND ND 0.38 ± 0.04 b ND 0.97 ± 0.18 a
Esters (7) 4.71 1.94 29.59 0.66 1.81 19.32
1 20.50 1107 1091 Methyl benzoate Honey, Flower 93-58-3 1.67 ± 0.32 b 0.27 ± 0.08 c 5.27 ± 0.83 a 0.57 ± 0.10 bc 0.56 ± 0.05 bc ND
2 31.05 1398 1378 Methyl 4-methoxybenzoate Peppers, Herbs, Dried fruits 121-98-2 1.40 ± 0.15 b 1.47 ± 0.32 b 21.11 ± 1.85 a ND ND ND
3 26.73 1220 - 2-Ethylhexyl acrylate - 103-11-7 1.63 ± 0.10 a ND ND ND ND ND
4 38.47 1975 1993 Ethyl palmitate Fragrance, Milk 628-97-7 ND 0.20 ± 0.03 bc ND 0.09 ± 0.03 c 0.56 ± 0.10 b 3.50 ± 0.67 a
5 3.23 596 605 Ethyl acetate Pineapple, Apple 141-78-6 ND ND 0.57 ± 0.06 a ND ND ND
6 40.31 2155 2159 Ethyl linoleate Fatty 544-35-4 ND ND 2.64 ± 0.16 b ND 0.69 ± 0.06 c 10.61 ± 1.18 a
7 40.22 2142 2149 Ethyl oleate Cocoa 111-62-6 ND ND ND ND ND 4.54 ± 0.86 a
8 36.11 1790 1793 Ethyl myristate Iris aroma, Fat 124-06-1 ND ND ND ND ND 0.35 ± 0.07 a
9 39.89 2104 2110 Ethyl stearate Slightly waxy, Irritating 111-61-5 ND ND ND ND ND 0.32 ± 0.03 a
Ketones (9) 15.06 0.29 1.14 5.76 0 3.76
1 10.48 894 889 2-Heptanone Banana, Medicine 110-43-0 3.35 ± 0.27 a ND ND 1.42 ± 0.47 b ND ND
2 31.81 1449 1458 (E)-6,10-Dimethyl-5,9-undecadien-2-one Green, Magnolia, Fruit 3796-70-1 ND 0.29 ± 0.02 b 1.14 ± 0.11 a ND ND ND
3 14.49 990 984 3-Octanone Mushroom, Mould 106-68-3 ND ND ND 3.30 ± 0.39 a ND ND
4 29.66 1317 - 4’-Hydroxy-2’-Methylacetophenone - 875-59-2 11.71 ± 0.82 a ND ND ND ND ND
5 29.13 1293 1291 2-Undecanone Waxy, Fruity 112-12-9 ND ND ND 0.66 ± 0.08 b ND 1.32 ± 0.24 a
6 17.71 1054 1037 3-Octen-2-one Nut, Crushed bug 1669-44-9 ND ND ND 0.38 ± 0.02 a ND ND
7 33.30 1551 - massoia lactone Coconut 54814-64-1 ND ND ND ND ND 2.44 ± 0.14 a
Acids (5) 0.00 1.18 4.55 0.38 18.99 9.22
1 38.47 1986 1975 Palmitic acid Waxy 57-10-3 ND 1.18 ± 0.11 b 4.55 ± 0.08 a ND 4.79 ± 0.46 a 3.89 ± 0.32 a
2 40.16 2134 2140 Linoleic acid Faint fatty 60-33-3 ND ND ND ND 8.39 ± 0.78 a 3.30 ± 0.26 b
3 25.87 1196 1191 Octanoic acid Cheese, Sweat, Spicy 124-07-2 ND ND ND 0.38 ± 0.04 a ND ND
4 40.44 2170 2180 Stearic acid Putrid 57-11-4 ND ND ND ND 1.65 ± 0.23 a ND
5 28.14 1263 1280 Nonanoic acid Green, Fat 112-05-0 ND ND ND ND 4.27 ± 0.64 a 3.03 ± 0.07 a
Others (13) 12.26 31.24 0.66 2.16 1.16 0.46
1 14.81 996 987 2-pentylfuran Bean, Fruit 3777-69-3 7.86 ± 0.42 a 0.71 ± 0.11 b 0.27 ± 0.05 b 0.98 ± 0.16 b ND ND
2 26.11 1201 1200 Dodecane Gasoline 112-40-3 0.74 ± 0.11 a 0.10 ± 0.02 b ND ND ND ND
3 34.03 1605 1600 n-Hexadecane - 544-76-3 1.09 ± 0.12 a ND ND ND ND ND
4 31.10 1408 1400 Tetradecane Alkane 629-59-4 1.52 ± 0.34 a 2.21 ± 0.28 a ND ND ND ND
5 32.81 1519 1521- 2,4-Di-tert-butylphenol Leather 96-76-4 ND 0.42 ± 0.10 b ND ND 1.16 ± 0.39 a 0.46 ± 0.11 b
6 32.48 1505 1502 (+)-Cuparene - 16982-00-6 ND ND 0.39 ± 0.07 a ND ND ND
7 33.17 1542 - 3,5-di-tert-butylphenol - 1138-52-9 ND 0.34 ± 0.06 a ND ND ND ND
8 26.52 1213 - 2,6-Dichloroanisole - 1984-65-2 ND ND ND 0.28 ± 0.03 a ND ND
9 29.68 1319 - 4-Ethyl-3-nonen-5-yne - 74685-67-9 ND ND ND 0.56 ± 0.09 a ND ND
10 32.29 1482 1483 α-curcumene Herb 644-30-4 1.05 ± 0.06 a ND ND ND ND ND
11 29.99 1337 - Phenol, 5-ethenyl-2-methoxy- - 621-58-9 ND 27.47 ± 2.86 a ND ND ND ND
12 29.35 1305 1315 2-Methylnaphthalene Floral 91-57-6 ND ND ND 0.19 ± 0.02 a ND ND
13 3.95 630 - Ammonium acetate - 631-61-8 ND ND ND 0.16 ± 0.03 a ND ND

Note: “RT”: Retention time; “RI”: Retention Index; “ND”: volatile compounds not detected. Volatile compounds were identified by comparing the RI and MS fragmentation patterns with mass spectra from the NIST17 library. Different superscript lowercase letters in a row (a–d) represent statistically significant differences between the mean values at p < 0.05 determined by one-way ANOVA. CAS# is an alias of CAS number which indicates the unique numerical identification number of a substance.