. 2020 Dec 2;9(12):1787. doi: 10.3390/foods9121787

Table 1.

Concentrations (μg/L) of volatile aroma compounds found in Croatian monovarietal wines after headspace solid-phase microextraction followed by gas chromatography-mass spectrometry (HS-SPME/GC–MS) sorted by compound class and descending Fisher F-ratio.

No.	Volatile Compounds	t_R	ID	LRI_exp	LRI_lit	F-Ratio	Variety
		(min:s)					MI	PO	MA	KR	SK
	Terpenes
1	α-Terpineol	39:59	S, MS, LRI	1684	1684	35.07	15.65 ± 7.04 ^b	10.92 ± 3.16 ^bc	5.50 ± 2.10 ^cd	1.98 ± 0.89 ^d	40.49 ± 11.05 ^a
2	Monoterpene (n.i.; m/z 59, 93, 121)	28:29	MS	1441	-	27.68	1.03 ± 0.50 ^b	0.64 ± 0.24 ^bc	0.27 ± 0.24 ^cd	0.02 ± 0.04 ^d	2.79 ± 1.01 ^a
3	Linalool	33:10	S, MS, LRI	1542	1542	24.71	68.00 ± 27.76 ^b	38.17 ± 8.05 ^c	18.52 ± 8.28 ^d	7.64 ± 2.56 ^d	90.75 ± 15.48 ^a
4	Limonene	15:17	MS, LRI	1191	1196	18.91	1.33 ± 0.68 ^b	0.98 ± 0.28 ^b	0.19 ± 0.05 ^c	0.36 ± 0.11 ^c	2.66 ± 1.01 ^a
5	Nerol	44:35	S, MS, LRI	1791	1791	16.31	13.38 ± 6.72 ^a	6.49 ± 1.96 ^b	4.55 ± 1.58 ^bc	1.06 ± 0.46 ^c	17.36 ± 3.74 ^a
6	cis-Linalool furan oxide	29:24	MS, LRI	1464	1464	12.57	0.08 ± 0.03 ^b	0.18 ± 0.06 ^a	0.06 ± 0.05 ^b	0.02 ± 0.01 ^b	0.20 ± 0.11 ^a
7	Monoterpenyl acetate (n.i.; m/z 93, 69, 121)	21:55	MS	1302	-	12.50	3.12 ± 1.85 ^a	1.11 ± 0.27 ^b	0.59 ± 0.36 ^b	0.12 ± 0.06 ^b	3.16 ± 0.84 ^a
8	4-Terpineol	35:37	MS, LRI	1594	1596	11.60	0.24 ± 0.10 ^b	0.24 ± 0.06 ^b	0.23 ± 0.11 ^b	0.11 ± 0.03 ^c	0.51 ± 0.08 ^a
9	β-Pinene	13:45	MS, LRI	1146	1145	11.46	4.40 ± 2.41 ^a	2.43 ± 0.75 ^bc	0.40 ± 0.15 ^d	1.16 ± 0.37 ^cd	4.17 ± 1.06 ^ab
10	Ho-Trienol	36:02	MS, LRI	1601	1601	10.44	7.45 ± 3.95 ^a	6.95 ± 2.01 ^ab	1.71 ± 1.14 ^c	1.60 ± 0.76 ^c	4.18 ± 0.79 ^bc
11	trans-Rose oxide	23:23	MS, LRI	1352	1341	10.32	0.27 ± 0.08 ^b	0.21 ± 0.04 ^bc	0.15 ± 0.07 ^c	0.16 ± 0.03 bc	0.59 ± 0.34 ^a
12	Monoterpene (n.i.; m/z 93, 69, 41)	29:56	MS	1476	-	8.51	0.49 ± 0.28 ^b	0.25 ± 0.07 ^c	0.24 ± 0.17 ^c	0.12 ± 0.13 c	0.77 ± 0.24 ^a
13	trans-Ocimene	18:03	MS, LRI	1252	1250	8.45	1.58 ± 0.92 ^a	1.27 ± 0.41 ^ab	0.17 ± 0.07 ^c	0.55 ± 0.18 ^bc	1.30 ± 0.50 ^ab
14	Citronellol	43:11	S, MS, LRI	1758	1758	8.34	5.02 ± 0.61 ^a	5.09 ± 0.69 ^a	5.30 ± 1.78 ^a	2.56 ± 0.30 ^b	5.60 ± 1.75 ^a
15	Nerol oxide	29:18	MS, LRI	1459	1464	7.01	3.04 ± 1.12 ^a	3.74 ± 1.82 ^a	1.35 ± 1.17 ^b	1.11 ± 0.40 ^b	4.11 ± 1.44 ^a
16	Geranyl acetone	47:01	MS, LRI	1845	1845	5.38	2.93 ± 0.58 ^b	3.58 ± 0.99 ^b	7.58 ± 4.80 ^a	2.64 ± 0.39 ^b	2.55 ± 1.14 ^b
17	trans-Linalool pyran oxide	41:49	MS, LRI	1726	1752	4.85	0.08 ± 0.02 ^b	0.13 ± 0.05 ^a	0.07 ± 0.05 ^b	0.04 ± 0.03 ^b	0.06 ± 0.02 ^b
18	trans-Nerolidol	54:39	MS, LRI	2031	2031	4.61	2.89 ± 0.50 ^a	3.17 ± 0.59 ^a	2.66 ± 1.58 ^ab	1.59 ± 0.22 ^b	1.53 ± 0.35 ^b
19	Monoterpene (n.i.; m/z 121, 93, 136)	31:30	MS	1509	-	3.09	2.45 ± 0.49 ^a	2.41 ± 0.56 ^a	2.11 ± 0.73 ^a	1.11 ± 0.16 ^b	2.88 ± 2.79 ^a
20	Geraniol	46:35	S, MS, LRI	1838	1838	2.93	40.64 ± 21.59 ^ab	24.23 ± 8.96 ^ab	39.96 ± 48.27 ^ab	2.73 ± 1.56 ^b	46.19 ± 10.53 ^ab
21	Geranyl ethyl ether	31:54	MS, LRI	1511	1499	2.69	0.53 ± 0.33	0.86 ± 0.97	1.08 ± 0.84	0.05 ± 0.02	0.82 ± 0.25
22	α-Terpinolene	19:34	MS, LRI	1287	1281	2.32	0.49 ± 0.29	0.73 ± 0.92	0.07 ± 0.04	0.14 ± 0.07	0.33 ± 0.26
	C₁₃-norisoprenoids
23	Vitispirane II	31:16	MS, LRI	1523	1529	9.85	0.07 ± 0.02 ^c	0.34 ± 0.16 ^a	0.20 ± 0.10 ^b	0.09 ± 0.01 ^c	0.14 ± 0.06 ^bc
24	β-Damascenone	45:26	MS, LRI	1809	1809	7.09	3.52 ± 0.69 ^a	2.81 ± 1.42 ^ab	1.99 ± 0.58 ^bc	2.28 ± 0.25 ^b	0.89 ± 0.29 ^c
25	Actinidol I	49:55	MS, LRI	1914	1914	5.59	0.12 ± 0.05 ^a	0.16 ± 0.06 ^a	0.13 ± 0.07 ^a	0.04 ± 0.01 ^b	0.09 ± 0.03 ^ab
26	Actinidol II	50:27	MS, LRI	1927	1927	5.10	0.20 ± 0.08 ^a	0.23 ± 0.07 ^a	0.23 ± 0.10 ^a	0.08 ± 0.01 ^b	0.16 ± 0.04 ^ab
27	Vitispirane I	32:08	MS, LRI	1521	1526	5.03	0.09 ± 0.04 ^c	0.46 ± 0.24 ^a	0.33 ± 0.24 ^ab	0.19 ± 0.05 ^bc	0.32 ± 0.18 ^abc
28	β-Ionone	50:17	S, MS, LRI	1923	1923	3.89	0.06 ± 0.01 ^ab	0.05 ± 0.01 ^b	0.07 ± 0.01 ^a	0.05 ± 0.01 ^b	0.07 ± 0.01 ^a
29	Actinidol ethyl ether I	40:25	MS, LRI	1690	1690	3.37	0.25 ± 0.12 ^bc	0.43 ± 0.24 ^a	0.34 ± 0.25 ^ab	0.11 ± 0.02 ^c	0.24 ± 0.06 ^bc
30	Actinidol ethyl ether II	41:49	MS, LRI	1723	1723	2.76	0.15 ± 0.07 ^ab	0.25 ± 0.16 ^a	0.20 ± 0.15 ^a	0.06 ± 0.01 ^b	0.15 ± 0.04 ^ab
	Benzenoids
31	Ethyl cinnamate	57:33	S, MS, LRI	2111	2122	6.96	0.41 ± 0.19 ^b	1.16 ± 0.78 ^a	0.39 ± 0.08 ^b	0.21 ± 0.10 ^b	0.16 ± 0.10 ^b
32	Benzaldehyde	31:26	S, MS, LRI	1508	1509	0.84	1.66 ± 1.25	3.48 ± 5.40	1.17 ± 0.54	2.56 ± 0.81	3.11 ± 1.57
	Alcohols
33	1-Hexanol	23:35	S, MS, LRI	1356	1357	25.56	792.14 ± 264.44 ^b	949.93 ± 179.86 ^b	859.15 ± 171.18 ^b	321.89 ± 32.90 ^c	1544.09 ± 146.31 ^a
34	cis-3-Hexen-1-ol	25:03	S, MS, LRI	1379	1379	12.73	77.49 ± 40.64 ^c	299.33 ± 113.23 ^a	193.20 ± 123.23 ^b	26.16 ± 4.63 ^c	54.67 ± 23.77 ^c
35	2-Phenylethanol	48:52	S, MS, LRI	1891	1893	7.16	20,047.0 ± 4767.1 ^b	33,176.1 ± 4679.3 ^a	32,117.2 ± 10,870.7 ^a	20,712.5 ± 6134.8 ^b	17,665.9 ± 1061.0 ^b
36	trans-3-Hexen-1-ol	24:03	S, MS, LRI	1361	1361	1.73	61.38 ± 24.09	45.64 ± 17.99	46.57 ± 10.28	43.09 ± 10.26	63.87 ± 22.80
	Acids
37	Decanoic acid	62:49	S, MS, LRI	2257	2258	5.05	646.02 ± 179.70 ^b	1627.60 ± 659.33 ^a	1062.71 ± 505.33 ^b	994.33 ± 67.19 ^b	1090.36 ± 494.95 ^ab
38	Octanoic acid	54:56	S, MS, LRI	2043	2042	4.03	4294.07 ± 796.78 ^b	6239.74 ± 1532.91 ^a	5147.23 ± 1562.12 ^ab	6219.42 ± 455.69 ^a	6359.73 ± 1152.33 ^a
39	Hexanoic acid	46:10	S, MS, LRI	1830	1828	3.05	5715.09 ± 552.13 ^ab	5184.65 ± 722.46 ^b	5284.54 ± 1710.50 ^b	6487.89 ± 603.01 ^a	7025.45 ± 1103.35 ^a
40	Butyric acid	36:28	S, MS, LRI	1612	1612	0.54	1766.10 ± 323.75	1607.09 ± 231.34	1685.41 ± 407.86	1581.53 ± 184.63	1788.32 ± 346.09
	Esters
41	2-Phenethyl acetate	45:03	S, MS, LRI	1803	1801	9.02	2230.06 ± 481.79 ^b	4731.20 ± 1467.85 ^a	2359.08 ± 1289.62 ^b	2579.92 ± 287.25 ^b	1750.70 ± 284.91 ^b
42	Ethyl octanoate	28:06	S, MS, LRI	1435	1435	8.88	1211.04 ± 239.22 ^a	1086.51 ± 223.88 ^a	817.08 ± 231.10 ^b	701.64 ± 160.66 ^b	544.02 ± 243.59 ^b
43	Ethyl hexanoate	17:35	S, MS, LRI	1236	1236	6.80	721.60 ± 172.38 ^a	379.34 ± 86.89 ^c	463.42 ± 153.50 ^bc	580.60 ± 120.60 ^ab	474.95 ± 108.08 ^bc
44	Hexyl acetate	19:26	S, MS, LRI	1272	1272	6.10	216.64 ± 52.04 ^a	204.45 ± 73.60 ^a	123.25 ± 54.35 ^b	107.91 ± 34.65 ^b	207.09 ± 40.86 ^a
45	Ethyl decanoate	37:43	S, MS, LRI	1637	1638	5.61	302.58 ± 46.92 ^a	279.95 ± 69.24 ab	179.10 ± 81.94 ^c	220.08 ± 29.45 ^bc	199.26 ± 29.89 ^bc
46	Isoamyl acetate	12:29	S, MS, LRI	1120	1122	3.97	3299.12 ± 1092.74 ^a	3321.37 ± 1674.71 ^a	1460.92 ± 566.57 ^b	2397.45 ± 774.95 ^ab	1879.81 ± 562.20 ^ab
47	Ethyl butyrate	09:27	S, MS, LRI	1030	1030	3.09	456.83 ± 69.21 ^a	415.44 ± 50.58 ^ab	363.29 ± 80.70 ^b	367.30 ± 47.60 ^b	350.99 ± 74.33 ^b
48	Ethyl 3-methylbutyrate	10:31	S, MS, LRI	1065	1065	2.58	8.51 ± 1.98	14.79 ± 5.57	12.86 ± 5.26	11.34 ± 4.39	8.39 ± 0.88
49	Ethyl 2-methylbutyrate	10:00	S, MS, LRI	1049	1049	2.17	4.19 ± 1.13	6.57 ± 2.31	6.57 ± 2.70	6.25 ± 2.48	4.01 ± 0.62
50	Diethyl succinate	39:04	S, MS, LRI	1667	1669	1.53	1634.59 ± 398.33	1917.40 ± 1362.67	1665.03 ± 858.64	997.49 ± 290.90	1064.55 ± 106.44
51	Ethyl lactate	22:56	S, MS, LRI	1341	1341	0.58	25,943.4 ± 13,586.8	45,815.9 ± 55,981.7	34,462.1 ± 16,552.6	25,359.5 ± 12,701.8	32654.3 ± 7282.3

ID—identification of compounds; S—retention time and mass spectrum consistent with that of the pure standard and with NIST05 mass spectra electronic library; LRI—linear retention index consistent with that found in literature; MS—mass spectra consistent with that from NIST05 mass spectra electronic library or literature; n.i.—not identified. The compounds with only MS symbol in ID column were tentatively identified. The compounds for which pure standards were not available (without symbol S in the ID column) were quantified semi-quantitatively and their concentrations were expressed as equivalents of compounds with similar chemical structure assuming a response factor = 1. LRI_exp—linear retention index obtained experimentally. Varieties: MI—Malvazija istarska, PO—Pošip, MA—Maraština, KR—Kraljevina, SK—Škrlet. Different superscript lowercase letters in a row represent statistically significant differences between mean values at p < 0.05 obtained by one-way ANOVA and least significant difference (LSD) test.