The Verification of the Usefulness of Electronic Nose Based on Ultra-Fast Gas Chromatography and Four Different Chemometric Methods for Rapid Analysis of Spirit Beverages

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.