Table 1.
Volatile organic compounds (VOCs) identified in wine-based aromatic vinegars (WBAVs) by headspace solid-phase microextraction (HS-SPME)PDMS/GC-MS.
| Peak Number | RT 1 (min) | KIcal 2 | KIlit 3 | Chemical Families | GC Peak Area × 106 (RSD) | |||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Wine Vinegar Control | Macerated Vinegars | |||||||||||||
| Banana | Passion Fruit | Apple | Pennyroyal | |||||||||||
| Ethyl esters | ||||||||||||||
| 1 | 2.91 | 925 | 907 | Ethyl acetate | 300.22 | (8) | 197.65 | (9) | 122.23 | (13) | 113.89 | (9) | 247.35 | (3) |
| 4 | 4.68 | 1055 | 1028 | Ethyl butanoate | 16.03 | (6) | - 5 | 9.93 | (14) | 3.29 | (4) | - | ||
| 5 | 5.29 | 1081 | 1050 | Ethyl 3-methylbutanoate | 15.18 | (6) | 16.36 | (17) | 3.31 | (13) | 8.12 | (4) | - | |
| 7 | 6.51 | 1125 | 1120 | Isoamyl acetate | 163.77 | (15) | 169.1 | (9) | 71.31 | (3) | 80.64 | (2) | 124.8 | (16) |
| 12 | 10.04 | 1222 | 1220 | Ethyl hexanoate | 227.53 | (9) | 113.51 | (8) | 195.43 | (12) | 84.73 | (20) | 128.32 | (14) |
| 16 | 12.41 | 1285 | 1304 | Ethyl 3-ethoxypropanoate 4 | - | 9.98 | (8) | - | 0.58 | (11) | 2.16 | (18) | ||
| 17 | 12.67 | 1291 | 1292 | Ethyl 3-hexenoate4 | - | 6.44 | (12) | 1.06 | (7) | 0.87 | (9) | 4.62 | (6) | |
| 18 | 13.23 | 1305 | 1300 | 3-Hexen-1-ol acetate isomer | 3.14 | (4) | 0.94 | (15) | - | 2.17 | (11) | - | ||
| 21 | 13.87 | 1320 | 1305 | Ethyl 2-hexenoate | 14.86 | (6) | 0.87 | (9) | 1.27 | (19) | 1.10 | (4) | 2.81 | (5) |
| 22 | 14.67 | 1339 | 1358 | Ethyl lactate | 21.95 | (14) | 42.24 | (16) | 36.08 | (4) | 28.80 | (14) | 51.13 | (1) |
| 25 | 15.53 | 1343 | 1350 | Hexyl acetate | 22.48 | (17) | 29.76 | (11) | 18.26 | (9) | 16.00 | (2) | 12.48 | (13) |
| 26 | 15.58 | 1359 | - | Heptyl acetate 4 | 0.52 | (15) | - | - | - | - | ||||
| 29 | 16.13 | 1370 | - | 2-Ethylhexyl acetate 4 | 2.99 | (9) | 2.40 | (3) | - | - | - | |||
| 30 | 16.16 | 1372 | 1389 | Methyl octanoate | - | 1.84 | (7) | 0.54 | (8) | - | - | |||
| 34 | 17.82 | 1405 | 1394 | Ethyl 2-hydroxyisovalerate | - | 2.46 | (11) | - | 0.13 | (13) | - | |||
| 35 | 18.16 | 1416 | 1414 | Ethyl octanoate | 296.15 | (4) | 182.15 | (3) | 181.16 | (10) | 194.75 | (2) | 208.86 | (11) |
| 37 | 19.19 | 1441 | - | Isopentyl hexanoate | - | - | 77.49 | (8) | - | 82.04 | (4) | |||
| 47 | 22.33 | 1518 | 1483 | Ethyl 3-hydroxybutanoate | 2.65 | (13) | - | 3.09 | (1) | 1.32 | (4) | - | ||
| 49 | 22.61 | 1526 | 1551 | 2-Ethyl hydroxycaproate 4 | 6.45 | (19) | 8.08 | (6) | 2.62 | (14) | 0.42 | (11) | 6.02 | (8) |
| 51 | 23.04 | 1536 | 1533 | Hexyl butanoate 4 | 1.21 | (7) | - | - | 1.74 | (3) | - | |||
| 64 | 26.58 | 1617 | 1636 | Ethyl decanoate | 112.62 | (3) | 132.17 | (14) | 110.55 | (5) | 211.67 | (4) | 138.31 | (2) |
| 65 | 26.85 | 1625 | 1610 | Butyl octanoate 4 | - | 0.27 | (20) | - | 1.47 | (16) | - | |||
| 66 | 27.35 | 1639 | 1648 | Ethyl benzoate | 6.63 | (15) | 6.26 | (8) | 5.83 | (11) | 6.65 | (1) | 9.15 | (4) |
| 68 | 28.07 | 1659 | 1680 | Diethyl succinate | 25.99 | (5) | 23.95 | (15) | 15.49 | (4) | 18.84 | (2) | 23.72 | (5) |
| 71 | 29.34 | 1693 | 1664 | Ethyl 3-hydroxyhexanoate | 1.27 | (4) | 1.02 | (9) | 0.20 | (12) | 0.21 | (20) | 0.98 | (5) |
| 75 | 31.42 | 1754 | 1755 | Phenylmethyl acetate | 2.78 | (6) | - | - | 0.27 | (12) | - | |||
| 76 | 32.07 | 1773 | 1775 | Ethyl benzeneacetate | 11.12 | (14) | 7.44 | (8) | 4.61 | (8) | 3.95 | (7) | 11.51 | (7) |
| 77 | 32.47 | 1784 | - | Dibuthyl succinate 4 | 0.31 | (3) | - | - | 1.41 | (2) | - | |||
| 78 | 32.73 | 1791 | 1798 | Methyl 2-hydroxybenzoate | 0.63 | (17) | 6.07 | (10) | - | - | 4.23 | (2) | ||
| 80 | 34.32 | 1838 | 1837 | Ethyl dodecanoate | 10.17 | (11) | 12.15 | (16) | 13.26 | (12) | 8.75 | (3) | 12.55 | (15) |
| 82 | 34.99 | 1857 | 1821 | Benzyl propanoate 4 | 7.54 | (4) | 1.32 | (14) | 9.26 | (8) | 11.71 | (15) | 5.61 | (2) |
| 83 | 35.58 | 1873 | 1849 | Benzyl butanoate 4 | 0.48 | (13) | - | 1.37 | (11) | 0.58 | (16) | - | ||
| 84 | 35.87 | 1880 | 1883 | 2-Phenylethyl acetate | 1.00 | (11) | 5.73 | (5) | 1.19 | (8) | - | 6.34 | (13) | |
| 85 | 36.47 | 1881 | 1880 | Citronellyl valerate 4 | 0.36 | (1) | 1.20 | (21) | 1.35 | (10) | 0.33 | (6) | 8.87 | (3) |
| 90 | 39.66 | 1970 | 1974 | Methyl jasmonate 4 | 0.98 | (2) | 0.81 | (4) | - | 0.26 | (12) | - | ||
| 95 | 43.13 | 2193 | 2189 | Phenylethyl benzoate 4 | 1.82 | (3) | 3.52 | (13) | 1.81 | (18) | 0.82 | (4) | 2.20 | (11) |
| 100 | 48.08 | 2308 | 2301 | Methyl hexadecanoate | 0.41 | (6) | 1.99 | (12) | 0.45 | (6) | - | 0.53 | (14) | |
| Alcohols | ||||||||||||||
| 2 | 3.15 | 968 | 972 | Ethanol | 773.10 | (10) | 845.14 | (11) | 1040.94 | (16) | 1099.28 | (12) | 946.25 | (6) |
| 3 | 4.66 | 1074 | 1099 | 2-Butanol | 12.75 | (6) | 11.75 | (19) | - | - | 14.45 | (2) | ||
| 6 | 6.12 | 1113 | 1112 | 2-Methyl-1-propanol | 23.13 | (12) | 13.42 | (9) | 9.14 | (12) | 14.55 | (17) | 19.72 | (8) |
| 8 | 7.87 | 1165 | 1176 | 2-Hexanol | 2.75 | (7) | 3.25 | (10) | 1.86 | (12) | 2.19 | (15) | - | |
| 11 | 9.51 | 1206 | 1206 | 3-Methylbutanol | 436.65 | (8) | 262.37 | (13) | 209.63 | (9) | 301.03 | (7) | 399.42 | (3) |
| 20 | 13.51 | 1312 | 1332 | 2-Heptanol 4 | 0.23 | (4) | 1.23 | (6) | 1.01 | (3) | 1.61 | (8) | - | |
| 23 | 15.15 | 1350 | 1360 | 1-Hexanol | 23.03 | (10) | 33.89 | (13) | 69.49 | (3) | 55.64 | (10) | 63.41 | (3) |
| 24 | 15.23 | 1352 | 1386 | 3-Hexenol isomer | 0.22 | (18) | 0.47 | (9) | 0.26 | (2) | 0.77 | (19) | 0.41 | (15) |
| 27 | 15.81 | 1364 | 1379 | 3-Ethoxypropanol 4 | 0.14 | (10) | 1.82 | (6) | 1.29 | (14) | - | - | ||
| 28 | 16.11 | 1371 | 1391 | 3-Hexenol isomer | 5.78 | (3) | 1.83 | (16) | 2.01 | (11) | 8.56 | (13) | 6.49 | (4) |
| 33 | 17.69 | 1383 | 1388 | 1-Octanol | 10.25 | (4) | 6.01 | (16) | 10.23 | (1) | 5.63 | (2) | - | |
| 42 | 20.48 | 1475 | 1465 | 1-Octen-3-ol | 7.12 | (1) | 7.91 | (2) | 9.67 | (9) | 0.32 | (3) | - | |
| 46 | 21.71 | 1503 | 1487 | 2-Ethylhexanol | 2.56 | (5) | 2.54 | (13) | - | 8.17 | (9) | - | ||
| 48 | 22.43 | 1521 | 1546 | 2,3-Butanediol isomer | 5.06 | (3) | 14.92 | (12) | 1.79 | (4) | 0.29 | (13) | 10.03 | (1) |
| 52 | 23.23 | 1540 | 1535 | 2-Nonanol 4 | 0.53 | (8) | 1.91 | (3) | 4.37 | (7) | 3.13 | (8) | - | |
| 56 | 23.93 | 1556 | 1583 | 2,3-Butanediol isomer | 9.44 | (11) | 5.73 | (15) | 1.52 | (8) | 0.27 | (11) | - | |
| 72 | 29.65 | 1701 | 1723 | Methionol | 1.21 | (2) | 1.39 | (19) | 1.35 | (5) | 1.66 | (8) | - | |
| 73 | 31.28 | 1750 | 1765 | 1-Decanol 4 | 1.60 | (12) | 5.82 | (12) | 1.08 | (17) | 2.22 | (17) | 8.32 | (9) |
| 87 | 37.94 | 1898 | 1925 | 2-Phenylethanol | 124.77 | (5) | 78.46 | (12) | 27.58 | (7) | 63.08 | (6) | 68.75 | (6) |
| 89 | 39.24 | 1956 | 1952 | Tridecanol 4 | 0.67 | (7) | 2.14 | (12) | 6.68 | (10) | 0.99 | (12) | 4.35 | (2) |
| Terpenoids | ||||||||||||||
| 9 | 8.38 | 1178 | 1182 | Limonene | 101.05 | (1) | 82.77 | (6) | 79.66 | (12) | 78.23 | (3) | 104.46 | (8) |
| 10 | 8.76 | 1187 | 1214 | Eucalyptol | 1.11 | (4) | 4.21 | (21) | 2.13 | (2) | - | 2.15 | (4) | |
| 13 | 11.18 | 1254 | 1233 | Sabinene | 2.22 | (15) | 6.03 | (2) | 1.19 | (15) | - | - | ||
| 19 | 13.38 | 1308 | 1337 | Rose oxide isomer 4 | 8.25 | (3) | 8.31 | (2) | 9.78 | (12) | 9.23 | (1) | 9.77 | (4) |
| 32 | 16.74 | 1392 | 1421 | Linalool oxide isomer | - | - | 1.45 | (12) | 0.33 | (10) | 8.76 | (6) | ||
| 38 | 19.22 | 1443 | 1449 | Dihydrolinalool 4 | 1.32 | (8) | 9.83 | (14) | 1.37 | (20) | 2.61 | (12) | - | |
| 39 | 19.4 | 1448 | 1467 | Linalool oxide isomer | - | 3.32 | (14) | 0.96 | (7) | 0.18 | (6) | - | ||
| 40 | 19.97 | 1462 | 1474 | Menthone 4 | - | 8.42 | (9) | 4.19 | (2) | - | 14.19 | (14) | ||
| 41 | 20.16 | 1467 | 1467 | Limonene oxide | - | 12.48 | (15) | 6.40 | (7) | 9.81 | (3) | 7.15 | (3) | |
| 44 | 21.47 | 1498 | 1531 | Vitispirane I | 5.61 | (8) | 6.21 | (15) | 3.95 | (1) | 4.95 | (5) | 6.57 | (5) |
| 45 | 21.57 | 1501 | 1534 | Vitispirane II | 12.14 | (18) | 4.25 | (16) | 4.31 | (2) | 3.13 | (11) | 3.36 | (9) |
| 50 | 22.88 | 1530 | 1537 | Linalool | 1.02 | (8) | 3.35 | (7) | 6.15 | (4) | 2.15 | (4) | 1.98 | (4) |
| 53 | 23.28 | 1541 | 1538 | Dihydrocarveol 4 | - | 11.61 | (3) | 14.14 | (5) | - | 21.68 | (14) | ||
| 55 | 23.72 | 1551 | 1580 | Bornyl acetate 4 | - | 4.89 | (4) | 1.38 | (5) | 2.81 | (8) | 1.18 | (15) | |
| 58 | 24.44 | 1559 | 1569 | Linalyl acetate | - | 26.39 | (7) | 28.71 | (11) | - | - | |||
| 59 | 24.83 | 1575 | 1574 | Fenchyl alcohol 4 | 0.58 | (2) | 0.73 | (8) | 0.42 | (9) | 0.78 | (4) | 1.91 | (20) |
| 62 | 26.27 | 1610 | 1626 | Menthol 4 | - | 5.94 | (16) | 5.66 | (7) | 5.40 | (2) | 7.62 | (6) | |
| 63 | 26.34 | 1618 | 1632 | Pulegone 4 | 2.84 | (13) | - | 2.75 | (12) | - | - | |||
| 69 | 28.58 | 1673 | 1669 | α-Terpeniol | 49.62 | (12) | 60.22 | (9) | 64.55 | (9) | 65.23 | (2) | 67.71 | (3) |
| 74 | 31.38 | 1753 | 1762 | Citronellol | 0.94 | (13) | 2.73 | (4) | - | - | 1.72 | (12) | ||
| 81 | 34.59 | 1844 | 1840 | Geranylacetone | 4.16 | (15) | 15.36 | (19) | 10.45 | (5) | 4.24 | (8) | 12.76 | (13) |
| 91 | 39.86 | 1981 | 2009 | Nerolidol | 0.76 | (8) | 0.82 | (3) | 1.21 | (4) | - | 2.43 | (4) | |
| 93 | 41.16 | 2125 | 2134 | α-Cadinol | 4.23 | (9) | 0.20 | (13) | 0.37 | (2) | 1.09 | (7) | 2.06 | (15) |
| Carbonyl compounds | ||||||||||||||
| 14 | 12.05 | 1276 | 1276 | Octanal | - | - | 0.52 | (7) | - | - | ||||
| 25 | 12.18 | 1278 | 1272 | 3-Hydroxybutan-2-one | 3.01 | (8) | 2.71 | (5) | 0.75 | (2) | - | - | ||
| 31 | 16.29 | 1374 | 1378 | Nonanal | 1.22 | (7) | 1.58 | (7) | 1.99 | (10) | 1.27 | (7) | - | |
| 43 | 20.81 | 1483 | 1484 | Decanal | 1.69 | (8) | 2.19 | (13) | 1.90 | (2) | 1.47 | (8) | - | |
| 57 | 24.08 | 1571 | 1543 | Undecanone 4 | 2.72 | (12) | - | 0.21 | (3) | - | - | |||
| 70 | 29.21 | 1689 | 1700 | Dodecanal 4 | 5.99 | (3) | - | 0.94 | (6) | - | - | |||
| Acids | ||||||||||||||
| 36 | 18.51 | 1425 | 1407 | Acetic acid | 422.11 | (18) | 347.48 | (12) | 139.85 | (9) | 136.06 | (11) | 122.36 | (14) |
| 54 | 23.52 | 1547 | 1572 | 2-Methylpropanoic acid | 1.52 | (14) | 2.66 | (7) | - | - | - | |||
| 61 | 25.97 | 1600 | 1619 | Butanoic acid | 3.77 | (1) | 8.09 | (15) | 0.92 | (4) | 0.44 | (9) | 1.25 | (7) |
| 67 | 27.56 | 1645 | 1665 | Isovaleric acid | 19.86 | (13) | 9.15 | (12) | 2.61 | (7) | 6.63 | (11) | 16.27 | (5) |
| 79 | 34.29 | 1837 | 1850 | Hexanoic acid | 37.85 | (11) | 32.83 | (4) | 17.25 | (8) | 15.06 | (5) | 21.49 | (10) |
| 86 | 36.69 | 1937 | 1962 | 2-Hexenoic acid isomer 4 | 0.23 | (4) | 0.68 | (16) | 0.92 | (13) | - | 1.68 | (7) | |
| 94 | 41.82 | 2098 | 2083 | Octanoic acid | 83.66 | (7) | 41.12 | (13) | 34.35 | (3) | 53.22 | (2) | 76.83 | (12) |
| 101 | 48.56 | 2321 | 2317 | Decanoic acid | 71.71 | (6) | 65.85 | (15) | 70.36 | (5) | 42.58 | (2) | 45.52 | (19) |
| 102 | 54.81 | 2340 | 2310 | Hydrocinnamic acid | 10.63 | (10) | 1.02 | (16) | 0.81 | (7) | 2.43 | (5) | - | |
| 103 | 67.81 | 2392 | 2407 | Undecylic acid 4 | 7.18 | (8) | 0.91 | (15) | - | 0.56 | (8) | 0.62 | (9) | |
| Lactones | ||||||||||||||
| 60 | 25.71 | 1594 | 1618 | Butyrolactone | 0.94 | (5) | - | - | 0.19 | (19) | - | |||
| 88 | 37.95 | 1936 | 1912 | γ–Octalactone 4 | 0.53 | (14) | - | - | - | - | ||||
| 92 | 40.63 | 2107 | 2103 | γ–Decalactone 4 | 2.28 | (17) | 0.95 | (8) | 2.28 | (2) | 14.59 | (2) | 4.23 | (4) |
| 96 | 43.92 | 2218 | 2209 | Wine lactone 4 | 3.99 | (2) | - | - | 1.27 | (7) | 2.60 | (12) | ||
| 99 | 45.44 | 2267 | 2241 | γ-Decenolactone 4 | 11.22 | (6) | 4.43 | (8) | 7.34 | (13) | 15.90 | (2) | 7.75 | (1) |
| Volatile phenols | ||||||||||||||
| 97 | 44.22 | 2228 | 2205 | 4-Ethylphenol | 1.82 | (4) | 1.71 | (14) | 1.22 | (3) | - | 0.79 | (3) | |
| 98 | 45.13 | 2257 | 2250 | Eugenol | 0.39 | (8) | 1.68 | (10) | 3.73 | (10) | 1.35 | (4) | 2.83 | (4) |