Table 5.
Compounds detected in raw spirit samples.
| Name | RT/LTPRI1 | RT/LTPRI2 | LTPRI1 LIT | LTPRI2 LIT | Descriptor |
|---|---|---|---|---|---|
| (Z)-3-Hexen-1-ol | 42.63/859 | 46.74/966 | 852 | 960 | Mossy, green, and fresh |
| (Z)-4-Heptenal | 46.13/899 | 48.66/991 | 900 | 988 | Creamy, sweet, and boiled potato |
| 1,2-Benzenediol | 77.77/1318 | 78.44/1440 | 1324 | 1455 | — |
| 1-Hexanol | 44.12/876 | 48.66/991 | 870 | 980 | Dry, floral, grossy, green, woody, and fruity |
| 1-Hexen-3-ol | 34.53/770 | 38.32/860 | 775 | 850 | Green |
| 1-Hydroxy-2-propanone | 25.24/655 | 35.08/820 | 643 | 810 | Caramelized and sweet |
| 1-Octen-3-one | 52.11/970 | 54.49/1069 | 979 | 1066 | Herbaceous |
| 2,3-Pentanedione | 28.79/702 | 33.61/802 | 698 | 788 | Creamy, fresh, fruity, and sweet |
| 2-Methyl-1-butanol | 31.92/737 | 37.55/857 | 739 | 852 | Fruity and malty |
| 2-Methyl-1-propanol | 23.26/629 | 28.83/741 | 628 | 735 | Alcoholic, bitter, and winey |
| 2-Methylfuran | 21.06/601 | 22.64/652 | 602 | 639 | Burnt, solvent, metallic, and musty |
| 2-Methylphenol | 58.18/1045 | 69.44/1290 | 1054 | 1283 | Phenolic |
| 2-Methylthiophene | 35.16/774 | 35.92/831 | 775 | 827 | Sulphurous |
| 2-Undecanal | 80.83/1365 | 82.07/1504 | 1368 | 1503 | Fruity, geranium, green and metallic |
| Alpha-pinene | 49.46/939 | 45.49/941 | 937 | 945 | Green, pine, camphor, and sweet |
| Benzaldehyde | 50.53/951 | 54.90/1075 | 959 | 1086 | Almond, woody, and burnt sugar |
| Beta-ionone | 88.68/1487 | 88.30/1615 | 1490 | 1627 | Floral, woody, and raspberry |
| Butanoic acid | 39.77/827 | 46.74/966 | 816 | 970 | Butter, rancid, and sweaty |
| Carvone | 73.57/1255 | 74.52/1373 | 1253 | 1386 | Minty and peppermint |
| Decanal | 70.67/1212 | 69.44/1290 | 1206 | 1293 | Aldehydic, burnt, floral, and green |
| Decanoic acid | 78.58/1330 | 80.10/1469 | 1323 | 1476 | Fatty, rancid, and soapy |
| Diethyl ether | 16.77/479 | 16.98/526 | 491 | 532 | — |
| Ethanol | 14.85/424 | 18.47/572 | 437 | 564 | Alcoholic |
| Ethyl acetate | 21.56/607 | 24.14/676 | 609 | 673 | Acidic, etheral, fruity, and orange |
| Ethyl hexanoate | 54.39/997 | 52.80/1046 | 995 | 1061 | Anise, apple, fruity, and sweet |
| Ethyl octanoate | 69.45/1195 | 68.26/1271 | 1196 | 1260 | Anise, floral, fresh, and leafy |
| Ethyl phenylacetate | 71.81/1229 | 73.79/1361 | 1243 | 1370 | Anise, cinnamon, floral, and spicy |
| Furfural | 40.93/840 | 46.94/966 | 827 | 972 | Almond, bread, and sweet |
| Geosmin | 85.79/1442 | 83.14/1523 | 1430 | 1513 | Beet and earthy |
| Geranial | 74.70/1272 | 76.83/1412 | 1270 | 1416 | Citrus, floral, lemon, and minty |
| Hexadecane | 96.54/1605 | 87.18/1595 | 1600 | 1600 | Alkane, fusel, fruity, and sweet |
| Hexanal | 36.62/791 | 41.31/897 | 795 | 883 | Grassy, green, herbaceous, and leafy |
| Hexanoic acid | 52.84/979 | 62.10/1177 | 990 | 1186 | Fatty, rancid, and sweaty |
| Hexyl acetate | 55.56/1012 | 56.21/1092 | 1011 | 1083 | Citrus, fruity, green, and spicy |
| Hexyl butyrate | 68.38/1180 | 67.11/1253 | 1191 | 1257 | Apple, fruity, and green |
| Hexyl isobutyrate | 65.11/1136 | 63.90/1203 | 1150 | 1208 | Green |
| Indole | 76.44/1297 | 85.12/1558 | 1295 | 1549 | Burnt, earthy, floral, and jasmine |
| Limonene | 56.84/1028 | 54.49/1069 | 1033 | 1061 | Citrus, fruity, minty, and peely |
| Linalool | 62.89/1106 | 62.96/1189 | 1099 | 1195 | Floral, fruity, green, and lavender |
| Methyl butanoate | 31.22/729 | 31.74/778 | 717 | 784 | Ester, etheral, green, and sweet |
| Methyl-2-propenoate | 22.20/616 | 24.82/687 | 611 | 680 | — |
| n-Butanol | 26.04/666 | 29.84/754 | 651 | 778 | Fermented and fruity |
| Nonane | 46.49/903 | 41.31/897 | 900 | 900 | Alkane and fusel |
| P-Cresol | 60.39/1073 | 71.49/1323 | 1072 | 1312 | Phenolic and smoky |
| Pentadecane | 90.40/1514 | 82.07/1504 | 1500 | 1500 | Alkane, fusel, and mild green |
| Pentanol | 34.68/766 | 39.87/873 | 767 | 879 | Anise, fruity, and green |
| Propenal | 15.61/446 | 18.18/563 | 450 | 566 | — |
| Propyl acetate | 29.52/710 | 31.36/773 | 708 | 775 | Fruity, ketonic, sweet, and solvent |
| Terpinolene | 61.46/1087 | 58.14/1120 | 1088 | 1112 | Fruity, pine, herbaceous, and sweet |
| tert-Butylmethylether | 19.08/545 | 19.79/607 | 546 | 600 | — |
| Tridecane | 77.16/1308 | 70.34/1304 | 1300 | 1300 | Alkane, citrus, fruity, and fusel |
| Undecane | 62.24/1097 | 57.03/1104 | 1100 | 1100 | Alkane and fusel |
RT1: retention time in column 1 (MXT-5);
LTPRI1: linear temperature-programmed retention index for compounds from column 1;
RT2: retention time in column 2 (MXT-1701);
LTPRI2: linear temperature-programmed retention index for compounds from column 2;
LTPRI1 LIT: linear temperature-programmed retention index for compounds from column 1 from literature;
LTPRI2 LIT: linear temperature-programmed retention index for compounds from column 2 from literature.
The positive identification of selected compounds was highlighted in bold font.