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

Table 2.

Concentrations (μg/L relative to internal standard 2-octanol) of volatile aroma compounds found in Croatian monovarietal wines obtained by headspace solid-phase microextraction followed by comprehensive two-dimensional gas chromatography-mass spectrometry with time-of-flight mass spectrometric detection (HS-SPME/GC×GC-TOF-MS) sorted by compound class and descending Fisher F-ratio.

No.	Volatile Compounds	t_R (1D)	t_R (2D)	ID	LRI_exp	LRI_lit	F-Ratio	Variety
		(min:s)	(min:s)					MI	PO	MA	KR	SK
	Terpenes
1	α-Terpineol	18:47.2	00:01.2	MS, LRI	1710	1709	112.904	3.683 ± 1.391 ^b	2.440 ± 0.424 ^c	1.256 ± 0.455 ^d	0.712 ± 0.369 ^d	11.628 ± 0.495 ^a
2	Limonene	08:01.0	00:01.8	S, MS, LRI	1191	1194	54.231	1.401 ± 0.746 ^b	0.429 ± 0.261 ^c	0.360 ± 0.105 ^c	0.191 ± 0.114 ^c	3.956 ± 0.291 ^a
3	Linalool	15:50.0	00:01.1	S, MS, LRI	1541	1541	23.272	16.664 ± 7.072 ^b	10.757 ± 1.712 ^c	5.318 ± 1.567 ^d	2.857 ± 0.970 ^d	23.674 ± 3.494 ^a
4	trans-Alloocimene	12:13.0	00:01.6	MS, LRI	1384	1388	22.080	0.362 ± 0.189 ^b	0.137 ± 0.032 ^c	0.088 ± 0.044 ^c	0.040 ± 0.022 ^c	0.753 ± 0.282 ^a
5	o-Cymene	09:49.9	00:01.6	S, MS, LRI	1273	1268	20.745	1.305 ± 0.436 ^b	0.631 ± 0.353 ^c	0.441 ± 0.268 ^c	0.278 ± 0.142 ^c	2.613 ± 1.042 ^a
6	γ-Dehydro-ar-himachalene	25:10.0	00:01.7	MS	2046	-	18.720	0.003 ± 0.003 ^b	0.003 ± 0.003 ^b	0.003 ± 0.002 ^b	0.016 ± 0.006 ^a	0.004 ± 0.004 ^b
7	β-Myrcene	07:18.8	00:01.6	S, MS, LRI	1159	1159	17.244	2.351 ± 1.293 ^b	0.885 ± 0.539 ^c	0.331 ± 0.070 ^c	0.183 ± 0.094 ^c	4.353 ± 1.916 ^a
8	Nerol	20:43.5	00:01.0	S, MS, LRI	1812	1811	16.944	0.568 ± 0.277 ^b	0.220 ± 0.118 ^c	0.225 ± 0.070 ^c	0.077 ± 0.038 ^c	0.810 ± 0.139 ^a
9	cis-α-Ocimene	09:24.8	00:01.6	MS, LRI	1254	1255	14.724	2.278 ± 0.937 ^a	0.754 ± 0.205 ^b	0.459 ± 0.087 ^b	0.337 ± 0.170 ^b	3.070 ± 1.903 ^a
10	trans-Linalool furan oxide	13:39.9	00:01.2	S, MS, LRI	1445	1450	14.601	0.444 ± 0.117 ^b	0.480 ± 0.160 ^b	0.221 ± 0.144 ^c	0.157 ± 0.138 ^c	0.872 ± 0.264 ^a
11	Ho-trienol	17:07.0	00:01.0	MS, LRI	1607	1612	13.945	2.843 ± 1.206 ^a	2.307 ± 0.568 ^a	0.669 ± 0.405 ^b	0.712 ± 0.395 ^b	2.510 ± 0.219 ^a
12	Geraniol	21:33.0	00:01.0	S, MS, LRI	1856	1857	11.761	0.432 ± 0.254 ^a	0.225 ± 0.091 ^b	0.124 ± 0.041 ^b	0.084 ± 0.020 ^b	0.589 ± 0.079 ^a
13	Carvomenthenal	17:14.0	00:01.5	MS, LRI	1615	1629	11.321	0.381 ± 0.215 ^a	0.193 ± 0.088 ^b	0.142 ± 0.052 ^b	0.057 ± 0.034 ^b	0.525 ± 0.132 ^a
14	Linalool ethyl ether	11:02.8	00:01.9	MS, LRI	1329	1331	10.900	5.419 ± 2.787 ^a	1.744 ± 0.925 ^b	0.998 ± 0.204 ^b	0.444 ± 0.219 ^b	6.365 ± 4.476 ^a
15	4-Terpineol	17:00.0	00:01.3	S, MS, LRI	1600	1597	10.895	0.464 ± 0.097 ^b	0.363 ± 0.069 ^cd	0.418 ± 0.116 ^bc	0.289 ± 0.083 ^d	0.676 ± 0.045 ^a
16	α-Terpinolene	10:03.7	00:01.9	S, MS, LRI	1284	1282	10.846	1.630 ± 0.872 ^b	0.520 ± 0.288 ^c	0.387 ± 0.217 ^c	0.173 ± 0.085 ^c	3.391 ± 2.459 ^a
17	Geranyl ethyl ether	15:08.0	00:01.8	MS, LRI	1506	1506	10.391	2.042 ± 0.965 ^a	0.710 ± 0.328 ^b	0.500 ± 0.186 ^b	0.222 ± 0.161 ^b	2.960 ± 2.199 ^a
18	Monoterpene (n.i.; m/z 93, 121, 136)	13:54.1	00:01.9	MS	1455	-	9.899	10.628 ± 4.686 ^a	4.420 ± 1.974 ^b	2.737 ± 1.576 ^b	1.104 ± 0.702 ^b	16.227 ± 12.511 ^a
19	Neryl ethyl ether	14:26.5	00:01.8	MS, LRI	1477	1468	8.918	0.334 ± 0.175 ^b	0.143 ± 0.065 ^bc	0.100 ± 0.067 ^bc	0.023 ± 0.021 ^c	0.863 ± 0.729 ^a
20	Monoterpene (n.i.; m/z 68, 93, 121)	08:15.2	00:01.8	MS	1202	-	8.901	0.252 ± 0.272 ^b	0.126 ± 0.077 ^bc	0.047± 0.021 ^c	0.020 ± 0.015 ^c	0.575 ± 0.180 ^a
21	p-Cymenene	13:30.2	00:01.5	MS, LRI	1439	1438	7.409	1.332 ± 0.236 ^a	0.899 ± 0.190 ^b	0.918 ± 0.307 ^b	0.733 ± 0.210 ^b	1.711 ± 0.786 ^a
22	trans-β-Ocimene	09:01.7	00:01.7	S, MS, LRI	1237	1241	6.833	0.078 ± 0.148 ^b	0.067 ± 0.087 ^b	0.099 ± 0.109 ^b	0.014 ± 0.019 ^b	0.919 ± 0.926 ^a
23	β-Calacorene	22:43.0	00:01.8	MS, LRI	1919	1918	5.495	0.108 ± 0.018 ^ab	0.075 ± 0.011 ^c	0.078 ± 0.011 ^c	0.131 ± 0.044 ^a	0.072 ± 0.052 ^c
24	cis-Z-α-Bisabolene epoxide	24:28.0	00:01.3	MS, LRI	2010	2007	5.329	0.002 ± 0.003 ^c	0.008 ± 0.004 ^bc	0.010 ± 0.009 ^b	0.013 ± 0.006 ^ab	0.023 ± 0.016 ^a
25	trans-Linalool pyran oxide	19:34.0	00:01.1	MS, LRI	1751	1752	4.346	0.059 ± 0.018 ^ab	0.082 ± 0.049 ^a	0.029 ± 0.031 ^b	0.031 ± 0.019 ^b	0.086 ± 0.025 ^a
26	Cadalene	27:46.2	00:01.6	MS, LRI	>2100	2191	3.956	0.047 ± 0.010 ^b	0.039 ± 0.017 ^b	0.035 ± 0.011 ^b	0.064 ± 0.022 ^a	0.032 ± 0.021 ^b
27	Isogeraniol	20:55.4	00:01.0	MS, LRI	1822	1828	3.457	0.036 ± 0.030 ^a	0.018 ± 0.014 ^ab	0.005 ± 0.006 ^b	0.010 ± 0.011 ^b	0.015 ± 0.007 ^ab
28	α-Terpinene	07:33.6	00:01.8	S, MS, LRI	1170	1175	3.225	0.033 ± 0.061 ^b	0.006 ± 0.010 ^b	0.006 ± 0.010 ^b	0.007 ± 0.015 ^b	0.106 ± 0.120 ^a
29	Sesquiterpene (n.i.; m/z 119, 93, 69)	19:48.0	00:01.8	MS	1763	-	2.809	0.064 ± 0.010 ^a	0.038 ± 0.020 ^b	0.040 ± 0.014 ^b	0.045 ± 0.012 ^b	0.042 ± 0.038 ^b
30	Menthol	17:42.0	00:01.1	MS, LRI	1644	1641	2.746	0.129 ± 0.050 ^b	0.222 ± 0.283 ^b	0.115 ± 0.032 ^b	0.099 ± 0.023 ^b	1.177 ± 1.847 ^a
31	Citronellol	20:02.9	00:01.1	S, MS, LRI	1776	1777	2.724	0.303 ± 0.037 ^ab	0.250 ± 0.089 ^ab	0.260 ± 0.089 ^ab	0.154 ± 0.074 ^b	0.309 ± 0.229 ^ab
32	α-Farnesene II	19:48.0	00:01.9	S, MS, LRI	1763	1762	2.118	0.053 ± 0.018	0.029 ± 0.016	0.026 ± 0.023	0.039 ± 0.021	0.047 ± 0.026
33	Monoterpene (n.i.; m/z 93, 121, 94)	20:48.1	00:01.7	MS	1816	-	2.054	0.056 ± 0.034	0.067 ± 0.027	0.041 ± 0.041	0.028 ± 0.015	0.028 ± 0.009
34	γ-Cadinene	19:55.0	00:02.1	MS, LRI	1769	1774	1.895	0.020 ± 0.003	0.013 ± 0.007	0.016 ± 0.004	0.014 ± 0.007	0.012 ± 0.011
35	(+)-Cuparene	21:05.0	00:02.0	MS, LRI	1831	1830	1.847	0.020 ± 0.001	0.014 ± 0.010	0.017 ± 0.004	0.012 ± 0.007	0.012 ± 0.010
36	trans-Calamenene	21:19.0	00:01.9	MS, LRI	1844	1837	1.780	0.063 ± 0.019	0.056 ± 0.020	0.049 ± 0.011	0.077 ± 0.028	0.056 ± 0.023
37	Citronellyl acetate	18:10.0	00:01.5	MS, LRI	1673	1668	1.652	0.056 ± 0.031	0.082 ± 0.059	0.041 ± 0.022	0.035 ± 0.017	0.063 ± 0.060
38	α-Calacorene	22:29.0	00:01.8	MS, LRI	1906	1916	1.533	0.020 ± 0.003	0.014 ± 0.008	0.015 ± 0.005	0.019 ± 0.009	0.012 ± 0.010
39	Dehydroaromadendrene	28:20.9	00:01.4	MS	>2100	-	1.306	0.001 ± 0.002	0.014 ± 0.036	0.001 ± 0.002	0.012 ± 0.015	0.028 ± 0.034
40	Terpene (n.i.; m/z 121, 93, 136)	15:08.0	00:01.8	MS	1506	-	1.276	0.891 ± 0.202	0.784 ± 0.328	0.788 ± 0.357	0.458 ± 0.172	0.836 ± 1.082
41	β-Cyclocitral	17:21.0	00:01.5	S, MS, LRI	1622	1629	1.195	0.067 ± 0.016	0.071 ± 0.017	0.066 ± 0.030	0.051 ± 0.014	0.052 ± 0.028
42	α-Farnesene I	18:17.0	00:01.9	S, MS, LRI	1681	1697	1.124	0.126 ± 0.043	0.074 ± 0.034	0.102 ± 0.058	0.115 ± 0.061	0.113 ± 0.046
43	2-Acetyl-2-carene	23:11.0	00:01.3	MS	1943	-	1.088	0.030 ± 0.048	0.037 ± 0.039	0.047 ± 0.050	0.010 ± 0.013	0.054 ± 0.013
44	γ-Isogeraniol	20:29.2	00:01.0	MS, LRI	1799	1800	1.071	0.148 ± 0.134	0.123 ± 0.083	0.087 ± 0.064	0.061 ± 0.046	0.087 ± 0.078
45	Cosmene	13:41.6	00:01.4	MS, LRI	1446	1460	0.990	0.109 ± 0.117	0.056 ± 0.056	0.106 ± 0.068	0.080 ± 0.054	0.027 ± 0.011
46	α-Curcumene	20:16.0	00:01.8	MS, LRI	1787	1782	0.736	0.026 ± 0.014	0.019 ± 0.007	0.021 ± 0.007	0.029 ± 0.017	0.022 ± 0.011
47	trans-Geranyl acetone	21:40.0	00:01.5	MS, LRI	1863	1868	0.734	0.409 ± 0.437	0.228 ± 0.071	0.206 ± 0.060	0.422 ± 0.568	0.152 ± 0.036
48	α-Bergamotene	16:18.0	00:02.4	MS, LRI	1565	1585	0.675	0.027 ± 0.011	0.037 ± 0.027	0.058 ± 0.071	0.041 ± 0.020	0.043 ± 0.024
49	Sesquiterpene (n.i.; m/z 93, 80, 121)	20:16.0	00:02.0	MS	1787	-	0.596	0.021 ± 0.007	0.014 ± 0.008	0.020 ± 0.013	0.022 ± 0.014	0.022 ± 0.021
50	Neryl acetate	19:20.7	00:01.5	MS, LRI	1739	1742	0.576	0.085 ± 0.021	0.060 ± 0.050	0.058 ± 0.038	0.078 ± 0.054	0.092 ± 0.083
51	4-Thujanol	15:20.1	00:01.7	MS	1516	-	0.444	0.055 ± 0.040	0.051 ± 0.029	0.067 ± 0.043	0.068 ± 0.024	0.046 ± 0.012
52	Nerolidol	24:56.2	00:01.3	S, MS, LRI	2034	2034	0.434	0.114 ± 0.049	0.102 ± 0.040	0.124 ± 0.087	0.142 ± 0.058	0.131 ± 0.064
53	Geranyl acetate	19:55.0	00:01.5	S, MS, LRI	1769	1768	0.413	0.037 ± 0.015	0.048 ± 0.038	0.035 ± 0.018	0.034 ± 0.013	0.034 ± 0.033
	C₁₃-norisoprenoids
54	1,2-Dihydro-1,4,6-trimethylnaphthalene	25:38.3	00:01.5	MS	2071	-	7.148	0.001 ± 0.001 ^b	0.000 ± 0.000 ^b	0.009 ± 0.008 ^b	0.023 ± 0.018 ^a	0.002 ± 0.001 ^b
55	β-Damascenone	21:05.0	00:01.5	S, MS, LRI	1831	1832	6.736	8.245 ± 2.169 ^a	5.770 ± 2.963 ^bc	4.338 ± 1.563 ^cd	6.981 ± 1.067 ^ab	2.336 ± 0.303 ^d
56	α-Ionene	14:28.9	00:02.0	MS	1479	-	5.379	0.045 ± 0.017 ^bc	0.017 ± 0.023 ^c	0.069 ± 0.047 ^ab	0.085 ± 0.031 ^a	0.032 ± 0.017 ^bc
57	Norisoprenoid (n.i.; m/z 69, 121, 105)	20:00.5	00:01.6	MS	1774	-	5.061	0.248 ± 0.076 ^a	0.163 ± 0.101 ^b	0.127 ± 0.060 ^bc	0.202 ± 0.058 ^ab	0.055 ± 0.025 ^c
58	3,4-Dehydro-β-ionone	18:38.0	00:01.8	MS	1702	-	4.920	0.032 ± 0.009 ^a	0.011 ± 0.010 ^b	0.036 ± 0.017 ^a	0.040 ± 0.020 ^a	0.020 ± 0.004 ^ab
59	Vitispirane I	15:29.0	00:01.9	MS, LRI	1524	1524	3.470	1.155 ± 0.481 ^c	3.501 ± 1.555 ^ab	4.058 ± 2.588 ^a	2.200 ± 0.966 ^bc	3.007 ± 2.552 ^abc
60	1,2-Dihydro-1,5,8-trimethylnaphthalene	19:41.0	00:01.6	MS	1757	-	2.579	0.360 ± 0.109	0.363 ± 0.186	0.682 ± 0.399	0.770 ± 0.451	1.085 ± 1.062
61	Actinidol ethyl ether II	18:52.0	00:01.9	MS, LRI	1714	1723	2.179	0.099 ± 0.082	0.181 ± 0.106	0.167 ± 0.130	0.055 ± 0.030	0.133 ± 0.067
62	1,2-Dihydro-1,1,6-trimethylnaphthalene (TDN)	19:06.0	00:01.6	S, MS, LRI	1727	1729	0.885	0.021 ± 0.012	0.019 ± 0.010	0.031 ± 0.021	0.026 ± 0.018	0.015 ± 0.015
63	trans-1-(2,3,6-Trimethylphenyl)buta-1,3-diene (TPB)	21:12.0	00:01.5	MS, LRI	1837	1832	0.433	0.065 ± 0.029	0.057 ± 0.036	0.076 ± 0.048	0.057 ± 0.031	0.050 ± 0.025
	Benzenoids
64	Ethyl benzoate	18:17.0	00:01.2	MS, LRI	1681	1678	20.194	0.759 ± 0.232 ^b	1.493 ± 0.366 ^a	0.653 ± 0.128 ^b	0.533 ± 0.118 ^b	0.570 ± 0.115 ^b
65	1,1’-Oxybisbenzene	24:20.1	00:01.3	MS, LRI	2003	2017	18.956	0.011 ± 0.002 ^a	0.004 ± 0.002 ^b	0.004 ± 0.003 ^b	0.003 ± 0.001 ^b	0.003 ± 0.001 ^b
66	2,3-Dihydro-1,1,5,6-tetramethyl-1H-indene I	18:17.0	00:01.7	MS	1681	-	9.842	0.076 ± 0.019 ^bc	0.027 ± 0.030 ^d	0.105 ± 0.039 ^ab	0.139 ± 0.054 ^a	0.050 ± 0.013 ^cd
67	Octylbenzene	19:27.0	00:01.8	MS, LRI	1745	1746	8.638	0.109 ± 0.011 ^a	0.065 ± 0.022 ^b	0.074 ± 0.010 ^b	0.072 ± 0.012 ^b	0.070 ± 0.032 ^b
68	trans-Edulan	17:07.0	00:01.8	MS, LRI	1607	1602	7.938	0.039 ± 0.016 ^b	0.084 ± 0.018 ^a	0.056 ± 0.019 ^b	0.042 ± 0.010 ^b	0.035 ± 0.031 ^b
69	2,3-Dihydro-1,1,5,6-tetramethyl-1H-indene II	17:28.0	00:01.7	MS	1629	-	7.671	0.023 ± 0.006 ^bc	0.007 ± 0.010 ^c	0.038 ± 0.020 ^ab	0.056 ± 0.030 ^a	0.016 ± 0.004 ^bc
70	3-Methylphenylacetylene	14:33.0	00:01.3	MS, LRI	1481	1450.9	7.438	0.012 ± 0.002 ^b	0.016 ± 0.006 ^b	0.013 ± 0.007 ^b	0.032 ± 0.013 ^a	0.028 ± 0.012 ^a
71	Benzoic acid	30:48.9	00:00.8	S, MS, LRI	>2100	2438	6.952	0.269 ± 0.021 ^bc	0.412 ± 0.064 ^a	0.350 ± 0.047 ^a	0.233 ± 0.107 ^c	0.334 ± 0.111 ^ab
72	Azulene	19:34.0	00:01.3	MS, LRI	1751	1746	6.891	0.240 ± 0.058 ^a	0.181 ± 0.044 ^b	0.165 ± 0.042 ^bc	0.130 ± 0.039 ^c	0.117 ± 0.039 ^c
73	Trimethyl-tetrahydronaphthalene	13:12.1	00:01.8	MS	1426	-	6.830	0.007 ± 0.012 ^c	0.002 ± 0.004 ^c	0.056 ± 0.056 ^ab	0.102 ± 0.070 ^a	0.007 ± 0.008 ^c
74	Benzeneacetaldehyde	17:49.0	00:01.1	S, MS, LRI	1651	1648	6.827	5.920 ± 1.513 ^c	10.269 ± 2.174 ^a	8.487 ± 2.065 ^ab	5.884 ± 2.053 ^c	6.501 ± 1.630 ^bc
75	m-Methoxyanisole	19:48.0	00:01.2	MS, LRI	1763	1761	6.715	0.009 ± 0.013 ^c	0.035 ± 0.021 ^b	0.009 ± 0.011 ^c	0.013 ± 0.013 ^bc	0.070 ± 0.052 ^a
76	Benzenoid (n.i.; m/z 115, 130, 129)	16:37.2	00:01.4	MS	1581	-	5.764	0.007 ± 0.003 ^b	0.005 ± 0.004 ^b	0.005 ± 0.004 ^b	0.014 ± 0.005 ^a	0.009 ± 0.003 ^ab
77	6-[1-(Hydroxymethyl)vinyl]-4,8a-dimethyl-1,2,4a,5,6,7,8,8a-octahydro-2-naphthalenol	19:54.7	00:02.0	MS	1769	-	5.587	0.010 ± 0.014 ^b	0.010 ± 0.011 ^b	0.009 ± 0.010 ^b	0.041 ± 0.023 ^a	0.013 ± 0.011 ^b
78	Prehnitene	14:40.0	00:01.5	MS, LRI	1486	1476	5.516	0.198 ± 0.035 ^ab	0.160 ± 0.052 ^bc	0.249 ± 0.080 ^a	0.124 ± 0.034 ^c	0.124 ± 0.089 ^c
79	2-Methylnaphthalene	22:15.0	00:01.3	MS, LRI	1894	1872	4.321	0.021 ± 0.004 ^a	0.015 ± 0.003 ^b	0.014 ± 0.004 ^b	0.015 ± 0.005 ^b	0.012 ± 0.003 ^b
80	meso-2,3-Diphenylbutane	17:07.0	00:01.3	MS	1607	-	4.291	0.025 ± 0.017 ^b	0.050 ± 0.016 ^a	0.037 ± 0.009 ^ab	0.027 ± 0.010 ^b	0.032 ± 0.007 ^ab
81	4-Ethylbenzaldehyde	19:34.0	00:01.2	MS, LRI	1751	1747	4.168	0.059 ± 0.010 ^ab	0.067 ± 0.014 ^a	0.060 ± 0.015 ^ab	0.043 ± 0.010 ^c	0.048 ± 0.008 ^bc
82	Styrene	09:27.4	00:05.0	MS, LRI	1256	1257	3.578	2.067 ± 0.516 ^ab	2.462 ± 0.859 ^a	2.161 ± 0.275 ^ab	1.701 ± 0.419 ^bc	1.223 ± 0.083 ^c
83	Ethyl o-methylbenzoate	19:34.2	00:01.3	MS	1751	-	3.148	0.039 ± 0.005 ^ab	0.041 ± 0.005 ^a	0.034 ± 0.005 ^abc	0.028 ± 0.013 ^c	0.027 ± 0.015 ^c
84	2,3-Dihydrobenzofuran	16:46.0	00:01.2	MS	1588	-	3.122	0.025 ± 0.011 ^b	0.046 ± 0.014 ^a	0.039 ± 0.013 ^ab	0.029 ± 0.014 ^b	0.029 ± 0.001 ^b
85	Benzofuran	15:01.0	00:01.1	MS, LRI	1500	1496	3.121	0.040 ± 0.013 ^b	0.061 ± 0.022 ^a	0.047 ± 0.015 ^ab	0.040 ± 0.013 ^b	0.030 ± 0.005 ^b
86	Benzonitrile	17:00.0	00:01.0	MS, LRI	1600	1591	3.041	0.033 ± 0.015 ^b	0.064 ± 0.026 ^a	0.052 ± 0.021 ^ab	0.038 ± 0.016 ^b	0.039 ± 0.005 ^ab
87	α,α-Dimethylbenzenemethanol	19:55.2	00:01.0	MS, LRI	1769	1770	2.981	0.021 ± 0.009 ^b	0.033 ± 0.018 ^b	0.024 ± 0.008 ^b	0.027 ± 0.007 ^b	0.203 ± 0.309 ^a
88	Methyl 2-(benzyloxy)propanoate	23:18.0	00:01.3	MS	1949	-	2.958	0.825 ± 0.861 ^a	0.144 ± 0.151 ^b	0.107 ± 0.138 ^b	0.211 ± 0.456 ^b	0.018 ± 0.017 ^b
89	α-Methylstyrene	11:10.8	00:01.3	MS, LRI	1336	1325	2.727	0.006 ± 0.007	0.014 ± 0.006	0.015 ± 0.007	0.017 ± 0.008	0.118 ± 0.192
90	3-Ethylbenzaldehyde	18:59.4	00:01.2	MS, LRI	1721	1732	2.631	0.088 ± 0.013	0.092 ± 0.016	0.086 ± 0.023	0.065 ± 0.021	0.075 ± 0.004
91	3-Methylbenzofuran	21:19.0	00:01.1	MS	1844	-	2.594	0.027 ± 0.006	0.046 ± 0.012	0.034 ± 0.016	0.032 ± 0.014	0.034 ± 0.006
92	Styralyl isobutyrate	23:31.8	00:01.4	MS	1961	-	2.462	0.065 ± 0.022	0.191 ± 0.121	0.166 ± 0.115	0.149 ± 0.069	0.097 ± 0.023
93	2’,5’-Dimethylcrotonophenone	24:00.0	00:01.3	MS	1985	-	2.362	0.045 ± 0.017	0.040 ± 0.029	0.026 ± 0.019	0.040 ± 0.011	0.010 ± 0.009
94	Ethyl benzenepropanoate	22:15.0	00:01.3	MS, LRI	1894	1892	2.328	0.404 ± 0.256	0.509 ± 0.353	0.314 ± 0.180	0.206 ± 0.052	0.131 ± 0.079
95	1-Methylnapthalene	21:40.0	00:01.3	MS, LRI	1863	1878	2.319	0.017 ± 0.005	0.016 ± 0.007	0.014 ± 0.003	0.011 ± 0.003	0.010 ± 0.001
96	Ethyl salicylate	21:35.8	00:01.1	S, MS, LRI	1859	1837	2.288	0.037 ± 0.054	0.005 ± 0.008	0.027 ± 0.049	0.011 ± 0.012	0.177 ± 0.296
97	Methyl salicylate	20:16.0	00:01.2	S, MS, LRI	1787	1789	2.151	3.457 ± 1.576	4.548 ± 6.357	2.447 ± 1.435	1.979 ± 0.985	14.629 ± 21.656
98	2-Methylbenzaldehyde	17:27.8	00:01.1	MS, LRI	1629	1622	2.145	0.041 ± 0.014	0.057 ± 0.023	0.034 ± 0.023	0.032 ± 0.012	0.051 ± 0.025
99	Durene	13:16.0	00:01.5	MS, LRI	1429	1435	2.038	0.085 ± 0.033	0.084 ± 0.040	0.080 ± 0.027	0.056 ± 0.034	0.034 ± 0.028
100	Butylated hydroxytoluene	22:43.0	00:01.5	MS, LRI	1919	1920	1.558	0.314 ± 0.073	0.351 ± 0.163	0.295 ± 0.107	0.228 ± 0.067	0.210 ± 0.146
101	Ethyl benzeneacetate	20:30.0	00:01.2	MS, LRI	1799	1788	1.474	1.334 ± 0.310	3.173 ± 0.863	2.503 ± 1.245	3.294 ± 3.186	3.112 ± 2.566
102	p-Methoxyanisole	19:34.2	00:01.2	MS, LRI	1751	1752	1.309	0.153 ± 0.041	0.184 ± 0.074	0.141 ± 0.044	0.197 ± 0.052	0.191 ± 0.075
103	Benzeneacetic acid	32:45.2	00:00.8	MS, LRI	>2100	2519	1.243	0.002 ± 0.000	0.005 ± 0.005	0.008 ± 0.007	0.004 ± 0.007	0.009 ± 0.013
104	Benzyl alcohol	22:01.0	00:00.9	S, MS, LRI	1881	1877	1.243	0.914 ± 1.413	2.007 ± 2.953	0.468 ± 0.243	0.354 ± 0.079	0.565 ± 0.297
105	2-Hydroxybenzeneacetic acid	23:11.0	00:01.0	MS	1943	-	1.238	0.003 ± 0.008	0.008 ± 0.004	0.003 ± 0.003	0.005 ± 0.001	0.005 ± 0.002
106	2-Ethyl-m-xylene	11:58.5	00:01.6	MS, LRI	1373	1372	1.224	0.106 ± 0.064	0.112 ± 0.059	0.082 ± 0.043	0.094 ± 0.040	0.040 ± 0.035
107	Benzaldehyde	15:16.8	00:05.8	S, MS, LRI	1514	1509	1.094	1.935 ± 0.978	4.662 ± 6.475	1.479 ± 0.377	2.161 ± 0.535	2.934 ± 2.144
108	2-(1,1-Dimethylethyl)-1,4-dimethoxybenzene	22:29.0	00:01.4	MS, LRI	1906	1870	0.996	0.069 ± 0.010	0.061 ± 0.014	0.066 ± 0.017	0.075 ± 0.021	0.051 ± 0.044
109	trans-1,2-Diphenylcyclobutane	20:58.0	00:01.3	MS	1825	-	0.674	0.003 ± 0.002	0.003 ± 0.002	0.004 ± 0.007	0.002 ± 0.003	0.000 ± 0.000
110	3,3-Dimethoxy-1-phenylpropan-1-one	09:56.8	00:05.6	MS	1278	-	0.569	0.037 ± 0.032	0.048 ± 0.054	0.052 ± 0.059	0.025 ± 0.027	0.062 ± 0.031
111	trans-Anethole	21:12.0	00:01.3	S, MS, LRI	1837	1834	0.502	0.423 ± 0.223	0.449 ± 0.199	0.390 ± 0.213	0.395 ± 0.309	0.613 ± 0.344
112	cis-Anethole	19:55.0	00:01.3	S, MS, LRI	1769	1780	0.322	0.013 ± 0.005	0.015 ± 0.007	0.014 ± 0.004	0.014 ± 0.007	0.017 ± 0.010
113	1,2-Dimethylbenzene	07:41.0	00:05.1	MS, LRI	1176	1175	0.176	0.468 ± 0.333	0.412 ± 0.402	0.503 ± 0.355	0.356 ± 0.312	0.432 ± 0.375
	Hydrocarbons
114	Pentadecane	14:54.0	00:02.7	S, MS, LRI	1496	1500	1.699	0.251 ± 0.055	0.195 ± 0.066	0.222 ± 0.104	0.205 ± 0.034	0.140 ± 0.045
115	2,3,3-Trimethyl-cis-4-nonene	10:42.0	00:01.6	MS	1313	-	1.585	0.078 ± 0.095	0.052 ± 0.034	0.031 ± 0.008	0.016 ± 0.009	0.026 ± 0.031
116	Hexadecane	17:00.0	00:02.7	S, MS, LRI	1600	1600	1.332	0.170 ± 0.025	0.140 ± 0.051	0.162 ± 0.082	0.134 ± 0.038	0.100 ± 0.031
117	cis,trans-1,3,5-Octatriene	08:08.4	00:00.7	MS	1196	-	1.087	0.376 ± 0.146	0.364 ± 0.125	0.315 ± 0.140	0.245 ± 0.137	0.329 ± 0.029
118	2,6,8-Trimethyl-trans-4-nonene	11:13.5	00:02.5	MS	1338	-	0.464	0.048 ± 0.083	0.029 ± 0.052	0.019 ± 0.039	0.032 ± 0.043	0.002 ± 0.002
	Aldehydes
119	Decanal	14:54.0	00:01.5	S, MS, LRI	1496	1497	3.149	0.068 ± 0.041 ^a	0.068 ± 0.035 ^a	0.051 ± 0.040 ^ab	0.014 ±0.011 ^b	0.060 ± 0.008 ^ab
120	trans-2-Decenal	17:49.0	00:01.4	MS, LRI	1651	1647	2.553	0.116 ± 0.030	0.131 ± 0.043	0.109 ± 0.030	0.071 ± 0.034	0.094 ± 0.065
121	trans-2-Octenal	13:25.3	00:01.3	S, MS, LRI	1435	1432	2.307	0.249 ± 0.301	0.017 ± 0.023	0.120 ± 0.038	0.105 ± 0.092	0.021 ± 0.020
122	Undecanal	17:07.0	00:01.5	S, MS, LRI	1607	1606	1.967	0.061 ± 0.020	0.053 ± 0.016	0.040 ± 0.010	0.041 ± 0.010	0.051 ± 0.031
123	Dodecanal	19:06.0	00:01.6	MS, LRI	1727	1722	1.471	0.066 ± 0.015	0.062 ± 0.019	0.050 ± 0.014	0.056 ± 0.022	0.043 ± 0.011
124	3,3-Dimethyl-2-oxobutanal	11:24.8	00:01.9	MS	1347	-	0.279	0.108 ± 0.091	0.158 ± 0.178	0.106 ± 0.104	0.226 ± 0.522	0.078 ± 0.082
125	Nonanal	12:40.6	00:01.5	S, MS, LRI	1405	1404	0.206	10.699 ± 7.689	12.183 ± 7.410	11.470 ± 8.481	8.722 ± 6.668	10.800 ± 6.868
	Ketones
126	1,4,7,10,13-Pentaoxacyclononadecane-14,19-dione	27:35.0	00:01.3	MS	>2100	-	9.721	0.027 ± 0.038 ^b	0.013 ± 0.014 ^b	0.005 ± 0.003 ^b	0.022 ± 0.020 ^b	0.107 ± 0.038 ^a
127	α-Isophorone	16:46.0	00:01.3	S, MS, LRI	1588	1593	7.380	0.116 ± 0.022 ^a	0.101 ± 0.032 ^a	0.047 ± 0.024 ^b	0.093 ± 0.021 ^a	0.093 ± 0.029 ^a
128	Cyclohexylideneacetone	17:35.0	00:01.8	MS	1637	-	6.967	0.097 ± 0.097 ^c	0.671 ± 0.428 ^b	0.424 ± 0.259 ^bc	0.546 ± 0.254 ^b	1.194 ± 0.691 ^a
129	Acetophenone	17:56.0	00:01.1	S, MS, LRI	1659	1660	6.036	0.297 ± 0.048 ^cd	0.557 ± 0.116 ^a	0.415 ± 0.107 ^bc	0.271 ± 0.078 ^d	0.487 ± 0.348 ^ab
130	2-Undecanone	16:53.4	00:01.5	MS, LRI	1594	1598	4.027	0.755 ± 0.471 ^a	0.320 ± 0.097 ^b	0.294 ± 0.104 ^b	0.347 ± 0.246 ^b	0.215 ± 0.162 ^b
131	4,4-(Ethylenedioxy)-2-pentanone	19:20.0	00:01.1	MS	1739	-	3.787	0.166 ± 0.053 ^ab	0.245 ± 0.111 ^a	0.145 ± 0.089 ^b	0.102 ± 0.020 ^b	0.102 ± 0.067 ^b
132	Unsaturated diketone (n.i.; m/z 43, 99, 71)	14:26.0	00:01.1	MS	1477	-	3.213	0.137 ± 0.151 ^b	0.361 ± 0.123 ^a	0.269 ± 0.095 ^ab	0.170 ± 0.174 ^b	0.150 ± 0.114 ^b
133	3-Undecanone	16:20.3	00:01.6	MS, LRI	1567	1571	3.176	0.455 ± 0.440 ^a	0.075 ± 0.051 ^b	0.081 ± 0.040 ^b	0.123 ± 0.265 ^b	0.025 ± 0.021 ^b
134	3-Tridecanone	20:16.0	00:01.7	MS, LRI	1787	1755	3.120	0.036 ± 0.023 ^a	0.010 ± 0.008 ^b	0.008 ± 0.009 ^b	0.018 ± 0.026 ^ab	0.006 ± 0.005 ^b
135	1b,5,5,6a-Tetramethyl-octahydro-1-oxa-cyclopropa[a]inden-6-one	18:31.0	00:02.1	MS	1695	-	2.570	0.016 ± 0.019	0.042 ± 0.038	0.047 ± 0.054	0.088 ± 0.068	0.123 ± 0.138
136	3-(Acetoxy)-4-methyl-2-pentanone	14:07.3	00:01.3	MS	1464	-	2.528	0.012 ± 0.021	0.055 ± 0.055	0.073 ± 0.057	0.025 ± 0.025	0.031 ± 0.027
137	trans-5-Methyl-2-(1-methylethyl)-cyclohexanone	14:08.1	00:01.6	MS, LRI	1464	1473	2.282	0.041 ± 0.045	0.312 ± 0.657	0.077 ± 0.050	0.058 ± 0.030	1.167 ± 1.900
138	4-(1,1-Dimethylethyl)-cyclohexanone	17:35.0	00:01.5	MS, LRI	1637	1645	2.032	0.057 ± 0.095	0.124 ± 0.122	0.025 ± 0.033	0.011 ± 0.011	0.092 ± 0.125
139	1-Phenyl-1-propanone	19:20.2	00:01.2	MS, LRI	1739	1744	1.745	0.019 ± 0.018	0.030 ± 0.013	0.015 ± 0.007	0.015 ± 0.004	0.021 ± 0.005
140	2-Nonanone	12:34.0	00:01.4	S, MS, LRI	1401	1402	1.689	10.162 ± 9.346	4.449 ± 3.737	6.475 ± 7.123	3.195 ± 1.103	2.225 ± 2.037
141	2H-Pyran-2,6(3H)-dione	24:10.5	00:00.8	MS	1995	-	1.599	0.485 ± 0.190	0.661 ± 0.326	0.564 ± 0.226	0.397 ± 0.138	0.394 ± 0.069
142	2-Heptanone	07:46.5	00:05.2	S, MS, LRI	1180	1180	1.445	0.692 ± 0.406	0.605 ± 0.416	1.117 ± 1.197	0.301 ± 0.265	0.502 ± 0.401
143	2,2-Dimethyl-1,3-dioxane-4,6-dione	18:17.0	00:01.1	MS	1681	-	1.167	0.032 ± 0.014	0.022 ± 0.021	0.037 ± 0.010	0.035 ± 0.006	0.026 ± 0.023
144	2-Decanone	14:47.0	00:01.5	MS, LRI	1491	1491	0.990	0.502 ± 0.298	0.457 ± 0.128	0.377 ± 0.175	0.432 ± 0.159	0.255 ± 0.107
145	Acetoin	10:07.9	00:00.8	S, MS, LRI	1287	1287	0.732	0.054 ± 0.017	0.071 ± 0.048	0.061 ± 0.026	0.093 ± 0.083	0.058 ± 0.024
146	2,6-Di(tert-butyl)-4-hydroxy-4-methyl-2,5-cyclohexadien-1-one	25:45.0	00:01.1	MS, LRI	2077	2094	0.694	0.009 ± 0.003	0.010 ± 0.006	0.010 ± 0.007	0.014 ± 0.011	0.013 ± 0.008
147	2-Cyclohexene-1,4-dione	19:33.7	00:01.0	MS	1751	-	0.669	0.006 ± 0.010	0.027 ± 0.031	0.093 ± 0.214	0.031 ± 0.060	0.055 ± 0.078
148	3,4-Dihydroxy-cyclobutene-1,2-dione	18:10.0	00:01.1	MS	1673	-	0.409	0.089 ± 0.031	0.075 ± 0.037	0.060 ± 0.053	0.078 ± 0.059	0.073 ± 0.022
149	5-Methyl-5-hepten-2-one	11:24.0	00:01.3	MS, LRI	1346	1343	0.215	0.147 ± 0.160	0.113 ± 0.085	0.125 ± 0.023	0.116 ± 0.112	0.170 ± 0.130
	Alcohols
150	4-Methyl-1-heptanol	12:42.1	00:01.6	MS, LRI	1406	1409	23.056	0.313 ± 0.161 ^b	0.115 ± 0.060 ^c	0.056 ± 0.047 ^c	0.033 ± 0.031 ^c	0.638 ± 0.209 ^a
151	cis-3-Hexen-1-ol	12:20.0	00:00.9	S, MS, LRI	1390	1386	15.611	7.191 ± 2.621 ^c	15.988 ± 3.409 ^a	11.216 ± 4.880 ^b	3.383 ± 0.607 ^d	5.727 ± 3.198 ^cd
152	2-Heptanol	10:56.0	00:01.0	S, MS, LRI	1324	1320	7.290	0.943 ± 0.327 ^bc	1.984 ± 0.923 ^a	1.044 ± 0.321 ^bc	0.601 ± 0.251 ^c	1.571 ± 0.480 ^ab
153	2-Penten-1-ol	10:56.2	00:00.8	MS, LRI	1324	1321	5.588	0.044 ± 0.021 ^a	0.045 ± 0.014 ^a	0.044 ± 0.017 ^a	0.012 ± 0.002 ^b	0.040 ± 0.012 ^a
154	3-Octanol	12:36.4	00:01.1	MS, LRI	1402	1406	5.108	0.082 ± 0.068 ^b	0.185 ± 0.070 ^a	0.062 ± 0.053 ^b	0.072 ± 0.050 ^b	0.054 ± 0.054 ^b
155	1-Undecanol	21:49.4	00:01.1	MS, LRI	1871	1883	5.052	0.004 ± 0.006 ^b	0.023 ± 0.015 ^a	0.007 ± 0.012 ^b	0.022 ± 0.010 ^a	0.022 ± 0.007 ^a
156	Alcohol (n.i.; m/z 69, 41, 84)	15:02.3	00:01.0	MS	1501	-	4.278	0.491 ± 0.778 ^bc	0.848 ± 0.393 ^ab	1.178 ± 0.637 ^a	0.192 ± 0.081 ^c	0.079 ± 0.036 ^c
157	1-Octen-3-ol	13:51.0	00:01.0	S, MS, LRI	1453	1452	3.832	3.494 ± 2.869 ^b	5.797 ± 1.668 ^a	2.467 ± 0.654 ^b	2.597 ± 1.254 ^b	3.015 ± 1.251 ^b
158	2-Decanol	17:20.3	00:01.1	MS, LRI	1621	1621	3.058	0.023 ± 0.011 ^b	0.047 ± 0.025 ^b	0.021 ± 0.015 ^b	0.024 ± 0.013 ^b	0.212 ± 0.318 ^a
159	2,3-Butanediol II	16:25.2	00:00.8	S, MS, LRI	1571	1567	2.708	1.964 ± 0.450	2.601 ± 0.580	2.586 ± 1.276	1.421 ± 0.780	2.007 ± 0.180
160	4-Hepten-1-ol	14:54.5	00:00.9	MS, LRI	1496	1502	2.635	0.105 ± 0.065	0.093 ± 0.090	0.125 ± 0.060	0.044 ± 0.025	0.172 ± 0.057
161	6-Methyl-5-hepten-2-ol	14:05.8	00:01.0	S, MS, LRI	1463	1466	2.465	0.034 ± 0.006	0.050 ± 0.015	0.042 ± 0.013	0.037 ± 0.011	0.030 ± 0.012
162	3-Methyl-1-pentanol	11:03.7	00:00.9	S, MS, LRI	1330	1332	2.387	5.790 ± 1.421	5.799 ± 1.504	6.404 ± 2.937	3.575 ± 1.820	4.453 ± 0.203
163	2,3-Butanediol I	15:36.0	00:02.1	S, MS, LRI	1530	1542	2.291	3.399 ± 1.779	4.339 ± 1.812	3.931 ± 2.279	1.744 ± 1.027	3.597 ± 0.875
164	Alcohol (n.i.; m/z 45, 55, 43)	14:17.6	00:01.0	MS	1471	-	2.157	0.137 ± 0.120	0.012 ± 0.022	0.096 ± 0.114	0.093 ± 0.042	0.054 ± 0.043
165	1-Decanol	20:02.0	00:01.1	S, MS, LRI	1775	1778	2.086	0.710 ± 0.219	0.625 ± 0.100	0.597 ± 0.138	0.812 ± 0.097	0.642 ± 0.209
166	3,5-Dimethyl-4-heptanol	19:35.2	00:00.8	MS	1752	-	2.033	0.043 ± 0.031	0.104 ± 0.063	0.098 ± 0.058	0.053 ± 0.056	0.068 ± 0.002
167	2-Ethylhexanol	14:40.0	00:01.0	MS, LRI	1486	1484	1.756	4.569 ± 0.735	4.664 ± 0.537	4.826 ± 0.481	4.169 ± 0.465	4.122 ± 0.201
168	8-Methyl-1,8-nonanediol	10:56.2	00:01.1	MS	1324	-	1.454	0.123 ± 0.079	0.199 ± 0.084	0.223 ± 0.122	0.206 ± 0.084	0.133 ± 0.116
169	3,4-Nonadienol	19:48.0	00:01.0	MS, LRI	1763	1754	1.445	0.017 ± 0.025	0.016 ± 0.013	0.007 ± 0.005	0.003 ± 0.002	0.005 ± 0.001
170	1-Pentanol	08:53.5	00:00.5	S, MS, LRI	1231	1242	1.272	0.082 ± 0.091	0.135 ± 0.100	0.112 ± 0.076	0.058 ± 0.060	0.039 ± 0.014
171	3-Ethyl-4-octanol	18:24.9	00:01.3	MS	1689	-	1.225	0.364 ± 0.208	0.304 ± 0.189	0.479 ± 0.198	0.471 ± 0.108	0.331 ± 0.229
172	2-Octen-1-ol	17:14.0	00:01.0	S, MS, LRI	1615	1622	1.115	0.151 ± 0.206	0.114 ± 0.060	0.077 ± 0.033	0.041 ± 0.015	0.057 ± 0.020
173	2-Undecanol	19:13.0	00:01.2	MS, LRI	1733	1738	0.841	0.173 ± 0.218	0.330 ± 0.184	0.226 ± 0.137	0.241 ± 0.094	0.278 ± 0.205
174	4-Methyl-1-pentanol	10:49.0	00:00.9	MS, LRI	1319	1319	0.819	2.297 ± 1.083	2.626 ± 0.800	3.318 ± 2.010	2.130 ± 2.101	1.782 ± 0.130
175	4-Ethyl-3-octanol	15:08.0	00:01.2	MS	1506	-	0.721	0.400 ± 0.059	0.374 ± 0.067	0.430 ± 0.232	0.389 ± 0.202	0.245 ± 0.213
176	2-Nonanol	15:15.0	00:01.1	S, MS, LRI	1512	1518	0.715	0.512 ± 0.187	0.581 ± 0.344	0.429 ± 0.127	0.398 ± 0.169	0.468 ± 0.272
177	1-Nonanol	18:03.3	00:01.0	S, MS, LRI	1666	1661	0.580	1.420 ± 1.635	0.776 ± 0.538	2.515 ± 3.679	1.557 ± 2.268	1.018 ± 1.218
178	1-Heptanol	13:58.2	00:00.9	S, MS, LRI	1458	1457	0.560	1.238 ± 0.721	1.394 ± 0.657	1.120 ± 0.904	0.875 ± 0.381	1.183 ± 0.341
179	2-Methyl-1-pentanol	10:28.5	00:00.9	S, MS, LRI	1303	1297	0.229	0.262 ± 0.326	0.200 ± 0.248	0.323 ± 0.434	0.312 ± 0.145	0.199 ± 0.124
180	trans-4-tert-Butylcyclohexanol	19:43.3	00:01.1	MS, LRI	1759	1730	0.189	0.136 ± 0.326	0.149 ± 0.283	0.267 ± 0.447	0.204 ± 0.181	0.216 ± 0.332
181	2-Octanol (internal standard)	13:09.0	00:01.0	S, MS, LRI	1424	1418		40.000 ± 0.000	40.000 ± 0.000	40.000 ± 0.000	40.000 ± 0.000	40.000 ± 0.000
	Acids
182	Propionic acid	15:43.0	00:00.7	S, MS, LRI	1536	1540	4.365	1.294 ± 0.324 ^ab	1.631 ± 0.472 ^a	1.159 ± 0.294 ^b	0.946 ± 0.158 ^b	0.991 ± 0.348 ^b
183	Acid (n.i.; m/z 74, 45, 73)	14:33.0	00:01.1	MS, LRI	1481	1491	4.041	0.018 ± 0.015 ^b	0.038 ± 0.020 ^a	0.016 ± 0.013 ^b	0.009 ± 0.006 ^b	0.013 ± 0.008 ^b
184	trans-2-Hexenoic acid	23:39.0	00:00.8	MS, LRI	1967	1967	3.651	0.081 ± 0.047 ^b	0.205 ± 0.094 ^a	0.159 ± 0.107 ^ab	0.083 ± 0.045 ^b	0.266 ± 0.213 ^a
185	Nonanoic acid	26:51.5	00:00.8	S, MS, LRI	>2100	2119	3.641	0.096 ± 0.049 ^b	0.169 ± 0.095 ^b	0.094 ± 0.043 ^b	0.166 ± 0.156 ^b	0.313 ± 0.078 ^a
186	trans-3-Hexenoic acid	22:49.8	00:00.8	MS, LRI	1924	1929	3.190	0.031 ± 0.033 ^a	0.006 ± 0.005 ^b	0.007 ± 0.003 ^b	0.005 ± 0.003 ^b	0.011 ± 0.005 ^ab
187	Formic acid	15:10.4	00:00.7	MS, LRI	1508	1501	2.526	1.442 ± 0.465	2.092 ± 0.849	1.523 ± 0.393	1.176 ± 0.507	1.306 ± 0.515
188	3,5,5-Trimethylhexanoic acid	23:46.0	00:00.8	MS	1973	-	2.194	0.330 ± 0.053	0.347 ± 0.115	0.370 ± 0.113	0.437 ± 0.094	0.479 ± 0.101
189	2-Propenoic acid	17:42.7	00:00.7	MS	1645	-	2.118	0.245 ± 0.073	0.262 ± 0.101	0.266 ± 0.042	0.214 ± 0.039	0.146 ± 0.055
190	Heptanoic acid	23:22.2	00:00.8	S, MS, LRI	1953	1955	1.423	0.071 ± 0.022	0.075 ± 0.044	0.083 ± 0.076	0.060 ± 0.021	0.152 ± 0.139
191	2-Decenoic acid	15:43.7	00:00.8	MS, LRI	1536	1540	1.289	0.021 ± 0.022	0.012 ± 0.024	0.005 ± 0.010	0.025 ± 0.011	0.022 ± 0.025
192	Pentanoic acid	19:34.0	00:00.8	S, MS, LRI	1751	1751	1.006	0.408 ± 0.074	0.490 ± 0.147	0.395 ± 0.074	0.394 ± 0.063	0.513 ± 0.338
193	Isobutyric acid	16:18.0	00:00.7	S, MS, LRI	1565	1555	0.832	3.347 ± 0.988	4.725 ± 1.518	4.212 ± 2.107	3.795 ± 1.757	3.200 ± 2.305
194	trans,trans-2,4-Hexadienoic acid	26:51.6	00:00.8	MS, LRI	>2100	2150	0.753	0.188 ± 0.145	0.053 ± 0.066	18.360 ± 48.172	4.350 ± 10.563	2.236 ± 3.744
195	Isovaleric acid	18:18.8	00:00.7	S, MS, LRI	1683	1680	0.745	5.833 ± 1.482	3.926 ± 3.916	5.923 ± 2.842	6.130 ± 2.208	5.222 ± 2.990
196	2-Ethylhexanoic acid	23:18.0	00:00.8	MS, LRI	1949	1960	0.568	0.602 ± 1.256	0.232 ± 0.224	0.312 ± 0.271	0.144 ± 0.061	0.151 ± 0.019
197	Butyric acid	17:28.0	00:00.7	S, MS, LRI	1629	1626	0.546	18.241 ± 2.608	19.305 ± 5.118	17.622 ± 2.372	16.638 ± 0.905	18.144 ± 6.443
	Esters
198	Methyl octanoate	12:34.0	00:01.5	MS, LRI	1401	1404	12.568	51.242 ± 14.675 ^a	14.588 ± 8.497 ^b	25.349 ± 13.750 ^b	21.407 ± 4.375 ^b	12.261 ± 13.962 ^b
199	cis-3-Hexen-1-yl acetate	10:56.0	00:01.3	MS, LRI	1324	1300	12.068	20.041 ± 8.968 ^b	39.339 ± 11.050 ^a	22.891 ± 14.489 ^b	6.372 ± 2.659 ^c	4.576 ± 3.341 ^c
200	Methyl hexanoate	07:51.1	00:05.4	S, MS, LRI	1183	1188	10.455	6.240 ± 2.416 ^a	2.417 ± 1.319 ^b	3.001 ± 1.098 ^b	2.216 ± 0.469 ^b	1.222 ± 1.089 ^b
201	Butyl hexanoate	13:05.2	00:01.7	S, MS, LRI	1422	1428	10.423	0.059 ± 0.026 ^a	0.015 ± 0.014 ^b	0.017 ± 0.016 ^b	0.015 ± 0.008 ^b	0.008 ± 0.007 ^b
202	Isoamyl hexanoate	14:05.0	00:01.8	S, MS, LRI	1462	1458	9.888	7.130 ± 1.573 ^a	1.804 ± 1.100 ^c	3.941 ± 3.105 ^b	3.323 ± 0.756 ^bc	1.537 ± 1.597 ^c
203	Ethyl 3-nonenoate	16:44.2	00:01.6	MS	1587	-	7.481	0.067 ± 0.040 ^a	0.021 ± 0.020 ^b	0.011 ± 0.005 ^b	0.017 ± 0.015 ^b	0.006 ± 0.007 ^b
204	Hexanodibutyrin	12:20.0	00:01.7	MS	1390	-	7.472	0.444 ± 0.181 ^a	0.571 ± 0.245 ^a	0.180 ± 0.173 ^b	0.179 ± 0.103 ^b	0.705 ± 0.336 ^a
205	Methyl decanoate	16:53.0	00:01.6	MS, LRI	1594	1593	7.131	1.375 ± 0.608 ^a	0.552 ± 0.226 ^b	0.741 ± 0.248 ^b	0.599 ± 0.132 ^b	0.426 ± 0.345 ^b
206	Phenethyl formate	20:29.8	00:01.1	MS, LRI	1799	1806	6.718	0.088 ± 0.035 ^c	0.211 ± 0.070 ^a	0.156 ± 0.046 ^b	0.119 ± 0.043 ^bc	0.112 ± 0.032 ^bc
207	Ethyl trans-4-octenoate	15:15.0	00:01.5	MS	1512	-	6.256	0.031 ± 0.003 ^a	0.017 ± 0.009 ^b	0.023 ± 0.006 ^b	0.016 ± 0.007 ^b	0.017 ± 0.006 ^b
208	Ethyl methyl succinate	17:36.4	00:01.1	MS, LRI	1638	1631	6.026	0.347 ± 0.156 ^a	0.306 ± 0.126 ^a	0.242 ± 0.078 ^a	0.079 ± 0.067 ^b	0.254 ± 0.070 ^a
209	Octyl formate	16:04.2	00:01.0	MS, LRI	1553	1560	5.909	6.604 ± 0.947 ^b	6.267 ± 1.160 ^b	6.531 ± 1.465 ^b	9.177 ± 1.345 ^a	6.050 ± 2.280 ^b
210	trans-3-Hexen-1-yl acetate	10:42.0	00:01.3	MS, LRI	1313	1316	5.675	20.322 ± 7.276 ^a	10.073 ± 8.187 ^b	5.922 ± 3.176 ^b	10.530 ± 4.255 ^b	7.388 ± 8.444 ^b
211	Ethyl hexadecanoate	30:13.7	00:01.5	MS, LRI	>2100	2261	5.586	0.560 ± 0.414 ^a	0.051 ± 0.082 ^b	0.119 ± 0.222 ^b	0.091 ± 0.149 ^b	0.052 ± 0.064 ^b
212	Ethyl 2-hydroxy-4-methylpentanoate	15:49.3	00:01.0	MS	1541	-	5.543	0.380 ± 0.161 ^c	0.829 ± 0.571 ^bc	1.875 ± 0.999 ^a	1.625 ± 1.112 ^ab	0.266 ± 0.231 ^c
213	2-Phenylethyl isobutyrate	22:45.7	00:01.1	MS, LRI	1921	1916	5.419	3.788 ± 1.880 ^a	1.824 ± 1.708 ^b	1.421 ± 1.243 ^b	0.816 ± 0.397 ^b	0.769 ± 0.245 ^b
214	Propyl hexanoate	10:56.2	00:01.7	MS, LRI	1324	1319	4.982	0.760 ± 0.330 ^a	0.339 ± 0.286 ^b	0.286 ± 0.227 ^b	0.379 ± 0.143 ^b	0.170 ± 0.180 ^b
215	Diethyl glutarate	20:23.0	00:01.2	MS, LRI	1793	1780	4.706	0.028 ± 0.012 ^c	0.105 ± 0.061 ^a	0.064 ± 0.043 ^bc	0.059 ± 0.013 ^bc	0.092 ± 0.020 ^ab
216	3-Ethoxypropyl acetate	11:52.0	00:01.2	MS	1368	-	4.423	0.754 ± 0.514 ^b	2.176 ± 1.442 ^a	0.638 ± 0.941 ^b	0.442 ± 0.365 ^b	0.454 ± 0.707 ^b
217	Isoamyl octanoate	18:06.1	00:01.9	MS, LRI	1669	1657	4.033	4.133 ± 0.747 ^a	2.340 ± 0.822 ^b	3.155 ± 1.362 ^ab	3.789 ± 0.950 ^a	2.125 ± 1.656 ^b
218	Ethyl heptanoate	11:17.0	00:01.6	MS, LRI	1341	1342	3.762	3.007 ± 1.131 ^a	1.591 ± 1.355 ^b	1.701 ± 0.709 ^b	1.498 ± 0.355 ^b	0.938 ± 1.126 ^b
219	Ethyl pyruvate	09:53.4	00:01.0	MS, LRI	1276	1276	3.717	1.711 ± 0.693 ^b	3.025 ± 0.908 ^a	1.931 ± 1.095 ^b	1.496 ± 0.650 ^b	1.685 ± 0.421 ^b
220	Isoamyl decanoate	21:58.0	00:01.9	MS, LRI	1879	1871	3.685	0.039 ± 0.093 ^b	0.191 ± 0.114 ^ab	0.180 ± 0.153 ^ab	0.239 ± 0.042 ^ab	0.178 ± 0.115 ^ab
221	Propyl octanoate	15:22.0	00:01.8	MS, LRI	1518	1504	3.637	0.893 ± 0.277 ^a	0.428 ± 0.431 ^b	0.384 ± 0.269 ^b	0.577 ± 0.297 ^ab	0.270 ± 0.261 ^b
222	Ethyl 4-pyrazolecarboxylate	14:33.0	00:01.1	MS	1481	-	3.291	0.016 ± 0.002 ^b	0.026 ± 0.011 ^a	0.014 ± 0.010 ^b	0.012 ± 0.008 ^b	0.010 ± 0.009 ^b
223	Methyl 2-methyllactate	16:39.0	00:01.2	MS	1582	-	3.049	0.116 ± 0.015 ^a	0.088 ± 0.013 ^bc	0.102 ± 0.017 ^ab	0.109 ± 0.024 ^ab	0.068 ± 0.059 ^c
224	3-Hydroxy-2,4,4-trimethylpentyl isobutyrate	21:54.7	00:01.2	MS	1876	-	3.046	0.089 ± 0.019 ^b	0.191 ± 0.051 ^a	0.124 ± 0.108 ^b	0.104 ± 0.035 ^b	0.112 ± 0.044 ^b
225	Isobutyl hexanoate	11:45.0	00:01.8	MS, LRI	1362	1357	2.919	1.039 ± 0.567 ^a	0.392 ± 0.297 ^b	0.767 ± 0.580 ^ab	0.595 ± 0.202 ^ab	0.259 ± 0.272 ^b
226	Hydroxyl acid ester (n.i.; m/z 143, 115, 75)	17:49.0	00:01.3	MS	1651	-	2.680	0.005 ± 0.005	0.012 ± 0.005	0.009 ± 0.006	0.007 ± 0.004	0.014 ± 0.005
227	Ethyl 4-hydroxybutyrate	20:47.7	00:00.9	MS, LRI	1815	1819	2.518	0.955 ± 0.717	1.134 ± 0.677	1.141 ± 0.695	0.315 ± 0.171	0.536 ± 0.197
228	Octyl acetate	14:24.4	00:01.5	MS, LRI	1475	1475	2.454	0.408 ± 0.857	1.601 ± 1.141	1.423 ± 1.416	3.153 ± 1.639	6.579 ± 10.545
229	3-Methyl-3-buten-1-yl acetate	08:07.8	00:01.2	MS, LRI	1196	1190	2.448	0.072 ± 0.037	0.066 ± 0.036	0.032 ± 0.028	0.049 ± 0.021	0.025 ± 0.026
230	Ethyl 2-octenoate	16:04.0	00:01.5	MS, LRI	1553	1557	2.386	0.031 ± 0.005	0.027 ± 0.009	0.024 ± 0.008	0.019 ± 0.003	0.027 ± 0.015
231	Ethyl undecanoate	18:45.2	00:01.0	MS, LRI	1709	1725	2.352	0.539 ± 0.749	0.198 ± 0.111	0.319 ± 0.391	1.006 ± 0.777	0.166 ± 0.169
232	Pentyl acetate	07:36.1	00:01.3	S, MS, LRI	1172	1161	2.334	0.123 ± 0.199	0.088 ± 0.204	0.037 ± 0.056	0.282 ± 0.174	0.053 ± 0.057
233	Isobutyl octanoate	15:57.7	00:01.9	MS, LRI	1548	1551	2.226	0.217 ± 0.071	0.119 ± 0.083	0.185 ± 0.114	0.213 ± 0.109	0.074 ± 0.069
234	Ethyl 4-hexenoate	10:21.3	00:01.4	MS, LRI	1297	1292	2.211	7.705 ± 10.236	2.044 ± 1.364	1.287 ± 0.650	0.784 ± 0.458	1.363 ± 1.374
235	Ethyl trans-2-butenoate	07:19.0	00:05.0	MS, LRI	1159	1161	2.127	8.551 ± 4.382	5.204 ± 3.185	7.463 ± 2.841	4.376 ± 2.710	4.293 ± 2.995
236	trans,trans-2,4-Octadien-1-yl acetate	16:18.0	00:01.4	MS	1565	-	1.956	0.017 ± 0.017	0.024 ± 0.018	0.006 ± 0.010	0.007 ± 0.009	0.017 ± 0.017
237	2-Phenylethyl octanoate	32:17.5	00:01.3	MS, LRI	>2100	2373	1.762	0.032 ± 0.036	0.006 ± 0.005	0.009 ± 0.004	0.024 ± 0.030	0.004 ± 0.004
238	Isoamyl butyrate	09:45.8	00:01.7	S, MS, LRI	1270	1266	1.756	2.573 ± 0.919	2.131 ± 0.957	2.055 ± 0.892	1.912 ± 0.358	1.089 ± 1.161
239	Di-isobutyl acetate	20:02.0	00:01.2	MS	1775	-	1.724	0.206 ± 0.065	0.243 ± 0.211	0.139 ± 0.106	0.112 ± 0.037	0.094 ± 0.032
240	3-Methylheptyl acetate	12:26.5	00:01.6	MS	1395	-	1.665	0.367 ± 0.347	0.236 ± 0.216	0.182 ± 0.086	0.112 ± 0.050	0.124 ± 0.077
241	Diethyl malonate	16:32.0	00:01.1	MS, LRI	1577	1574	1.648	0.174 ± 0.052	0.188 ± 0.079	0.148 ± 0.050	0.126 ± 0.033	0.197 ± 0.034
242	Heptyl acetate	12:13.4	00:01.5	MS, LRI	1385	1385	1.487	0.236 ± 0.133	0.249 ± 0.179	0.151 ± 0.091	0.120 ± 0.044	0.143 ± 0.145
243	Ethyl hydrogen succinate	30:16.2	00:00.8	MS, LRI	>2100	2350	1.443	3.279 ± 0.920	7.386 ± 6.573	5.875 ± 1.785	4.985 ± 2.470	4.242 ± 1.226
244	Methyl 2-isopropoxypropanoate	20:30.0	00:01.3	MS	1799	-	1.288	0.030 ± 0.042	0.076 ± 0.036	0.061 ± 0.043	0.065 ± 0.045	0.053 ± 0.047
245	Vinyl decanoate	19:27.2	00:01.4	MS	1745	-	1.258	0.224 ± 0.357	0.086 ± 0.065	0.044 ± 0.038	0.038 ± 0.034	0.130 ± 0.062
246	Diethyl malate	25:29.4	00:00.9	MS, LRI	2063	2065	1.210	0.227 ± 0.144	0.462 ± 0.502	0.399 ± 0.220	0.360 ± 0.231	0.629 ± 0.235
247	trans-Penten-1-yl acetate	08:50.0	00:01.2	MS	1228	-	1.132	0.050 ± 0.049	0.039 ± 0.049	0.024 ± 0.031	0.011 ± 0.011	0.024 ± 0.023
248	Phenylmethyl acetate	19:27.0	00:01.2	MS, LRI	1745	1747	1.119	0.042 ± 0.026	0.211 ± 0.394	0.035 ± 0.018	0.046 ± 0.018	0.054 ± 0.021
249	Ethyl 3-hydroxybutyrate	15:15.5	00:00.9	MS, LRI	1512	1512	1.045	0.398 ± 0.278	0.407 ± 0.202	0.430 ± 0.195	0.233 ± 0.157	0.430 ± 0.093
250	Isoamyl propanoate	07:56.8	00:01.5	MS, LRI	1188	1188	1.017	0.638 ± 0.264	0.677 ± 0.436	0.740 ± 0.490	0.543 ± 0.341	0.250 ± 0.186
251	Ethyl hydroxyacetate	13:09.0	00:00.8	MS, LRI	1424	1436	0.987	0.032 ± 0.045	0.097 ± 0.079	0.058 ± 0.076	0.085 ± 0.144	0.163 ± 0.215
252	Ethyl nonanoate	15:43.0	00:01.7	MS, LRI	1536	1535	0.928	1.843 ± 0.503	0.984 ± 0.394	0.971 ± 0.345	2.321 ± 3.355	1.116 ± 0.807
253	2-(1,1-Dimethylethyl)-cyclohexen-1-yl acetate	16:11.0	00:01.8	MS	1559	-	0.848	0.046 ± 0.026	0.024 ± 0.015	0.045 ± 0.031	0.040 ± 0.032	0.034 ± 0.004
254	Ethyl 2-hydroxy-3-phenylpropanoate	29:11.1	00:01.0	MS, LRI	>2100	2273	0.846	0.001 ± 0.001	0.001 ± 0.001	0.009 ± 0.019	0.007 ± 0.014	0.001 ± 0.000
255	Ethyl 3-methylbutylbutanedioate	22:29.7	00:01.3	MS, LRI	1907	1907	0.835	2.315 ± 0.806	3.353 ± 2.324	2.743 ± 1.814	2.843 ± 0.908	1.639 ± 0.545
256	Ethyl 9-decenoate	18:45.0	00:01.6	S, MS, LRI	1708	1708	0.801	0.133 ± 0.189	0.177 ± 0.227	0.280 ± 0.347	0.101 ± 0.086	0.067 ± 0.058
257	Ethyl 3-ethoxy-trans-2-propenoate	15:43.0	00:01.2	MS	1536	-	0.785	1.418 ± 0.096	1.363 ± 0.205	1.480 ± 0.136	1.542 ± 0.317	1.360 ± 0.353
258	Butyl ethyl succinate	20:37.0	00:01.3	MS, LRI	1806	1820	0.776	0.245 ± 0.112	0.295 ± 0.195	0.294 ± 0.182	0.220 ± 0.139	0.136 ± 0.063
259	Ethyl 2,4-hexadienoate I	14:35.0	00:01.3	MS, LRI	1483	1501	0.673	0.033 ± 0.034	0.019 ± 0.011	0.869 ± 2.269	0.343 ± 0.855	0.097 ± 0.153
260	Ethyl 2,4-hexadienoate II	15:08.0	00:01.3	MS, LRI	1506	1501	0.645	0.290 ± 0.328	0.038 ± 0.016	6.200 ± 16.289	3.473 ± 8.685	0.353 ± 0.515
261	Isobutyl acetate	04:23.8	00:04.7	S, MS, LRI	1015	1009	0.531	0.726 ± 0.371	0.774 ± 0.280	0.728 ± 0.435	0.534 ± 0.175	0.658 ± 0.405
262	2-Phenylethyl isovalerate	24:00.0	00:01.4	MS, LRI	1985	1988	0.530	0.015 ± 0.012	0.014 ± 0.014	0.013 ± 0.010	0.020 ± 0.006	0.011 ± 0.010
263	Methyl 2-hydroxybutanoate	11:45.0	00:01.1	MS, LRI	1362	1382	0.529	0.274 ± 0.056	0.217 ± 0.155	0.208 ± 0.156	0.280 ± 0.040	0.225 ± 0.197
264	Isopropyl lactate	15:36.0	00:01.6	MS	1530	-	0.512	0.032 ± 0.007	0.027 ± 0.004	0.029 ± 0.016	0.026 ± 0.007	0.023 ± 0.024
265	Ethyl cis-4-decenoate	18:17.4	00:01.6	MS, LRI	1681	1680	0.510	0.017 ± 0.019	0.012 ± 0.010	0.008 ± 0.014	0.015 ± 0.011	0.011 ± 0.009
266	Ethyl cis-4-octenoate	14:39.6	00:01.5	MS	1486	-	0.503	0.127 ± 0.073	0.094 ± 0.054	0.123 ± 0.053	0.098 ± 0.015	0.101 ± 0.094
267	Ethyl 2-hexenoate	11:31.7	00:01.5	S, MS, LRI	1352	1357	0.469	1.626 ± 0.984	1.864 ± 0.759	2.107 ± 1.213	1.408 ± 0.806	1.721 ± 1.542
268	Isoamyl lactate	16:18.0	00:01.0	MS, LRI	1565	1572	0.376	0.449 ± 0.304	0.829 ± 1.062	0.597 ± 0.380	0.703 ± 0.581	0.596 ± 0.341
269	Ethyl 2-propynoate	09:11.0	00:01.8	MS	1244	-	0.368	4.550 ± 1.065	4.324 ± 1.444	4.768 ± 1.504	4.322 ± 1.565	3.562 ± 2.475
270	Diethyl fumarate	17:56.0	00:01.2	MS, LRI	1659	1660	0.155	0.055 ± 0.027	0.047 ± 0.018	0.048 ± 0.031	0.050 ± 0.014	0.045 ± 0.014
	Volatile phenols
271	2-Methoxyphenol	21:47.0	00:00.9	MS, LRI	1869	1869	5.084	0.023 ± 0.016 ^b	0.052 ± 0.034 ^a	0.019 ± 0.011 ^b	0.010 ± 0.001 ^b	0.011 ± 0.003 ^b
272	4-Vinylguaiacol	27:33.5	00:00.9	S, MS, LRI	>2100	2168	2.970	0.563 ± 0.266 ^ab	0.762 ± 0.426 ^a	0.373 ± 0.170 ^b	0.377 ± 0.330 ^b	0.163 ± 0.069 ^b
273	Phenol	24:14.0	00:00.8	S, MS, LRI	1998	1995	1.607	0.701 ± 0.049	0.856 ± 0.131	0.804 ± 0.309	0.601 ± 0.130	0.886 ± 0.541
274	4-Ethylguaiacol	24:44.7	00:01.0	S, MS, LRI	2024	2024	1.514	0.011 ± 0.020	0.024 ± 0.034	0.004 ± 0.004	0.002 ± 0.005	0.003 ± 0.003
275	2,4-Bis(1,1-dimethylethyl)phenol	29:01.0	00:01.0	MS, LRI	>2100	2270	1.328	0.923 ± 0.417	0.821 ± 0.247	1.133 ± 0.583	0.667 ± 0.280	0.810 ± 0.189
	Furanoids and lactones
276	3-Methyl-2(5H)-furanone	19:13.3	00:01.0	MS, LRI	1733	1726	7.776	0.029 ± 0.012 ^a	0.024 ± 0.011 ^ab	0.017 ± 0.009 ^b	0.004 ± 0.004 ^c	0.017 ± 0.006 ^ab
277	Acetylfuran	15:01.2	00:01.0	MS, LRI	1501	1501	4.958	0.092 ± 0.054 ^b	0.416 ± 0.326 ^a	0.201 ± 0.104 ^b	0.086 ± 0.040 ^b	0.092 ± 0.031 ^b
278	γ-Butyrolactone	17:28.0	00:01.0	MS, LRI	1629	1626	4.491	3.839 ± 1.256 ^a	4.284 ± 1.527 ^a	4.055 ± 0.852 ^a	1.918 ± 1.271 ^b	2.661 ± 0.844 ^ab
279	2-(5-Methyl-5-vinyltetrahydro-2-furanyl)-2-propanol	14:16.1	00:01.2	MS	1470	-	4.293	0.050 ± 0.089 ^b	0.106 ± 0.063 ^b	0.053 ± 0.063 ^b	0.100 ± 0.084 ^b	0.305 ± 0.233 ^a
280	γ-Nonalactone	24:42.6	00:01.2	S, MS, LRI	2022	2018	3.909	0.037 ± 0.072 ^c	0.311 ± 0.222 ^a	0.152 ± 0.123 ^bc	0.200 ± 0.100 ^ab	0.191 ± 0.089 ^abc
281	Lactone (n.i.; m/z 85, 57, 100)	23:39.0	00:01.1	MS	1967	-	2.450	0.057 ± 0.059	0.013 ± 0.014	0.039 ± 0.037	0.010 ± 0.006	0.009 ± 0.001
282	Pantolactone	24:42.0	00:00.8	MS, LRI	2022	2029	2.220	0.091 ± 0.018	0.184 ± 0.075	0.174 ± 0.101	0.156 ± 0.067	0.123 ± 0.046
283	Furfuryl ether	10:14.0	00:01.1	MS	1292	-	2.138	0.159 ± 0.187	0.242 ± 0.117	0.245 ± 0.100	0.091 ± 0.033	0.116 ± 0.071
284	Furfural	14:05.2	00:00.9	S, MS, LRI	1462	1460	2.087	1.122 ± 0.381	16.951 ± 26.840	2.258 ± 1.044	0.857 ± 0.168	1.010 ± 0.306
285	Ethyl 2-furoate	17:21.0	00:01.1	MS, LRI	1622	1624	1.823	4.805 ± 1.288	7.089 ± 2.513	4.929 ± 2.119	5.484 ± 1.375	4.786 ± 1.742
286	γ-Octalactone	22:49.8	00:01.1	S, MS, LRI	1924	1923	1.722	0.533 ± 0.208	0.907 ± 0.309	0.708 ± 0.325	0.723 ± 0.299	0.730 ± 0.048
287	2(5H)-furanone	19:59.4	00:00.9	S, MS, LRI	1773	1787	1.266	0.079 ± 0.013	0.151 ± 0.172	0.078 ± 0.013	0.060 ± 0.010	0.079 ± 0.046
288	5-Methyl-2-furfural	16:25.8	00:01.0	S, MS, LRI	1571	1570	1.263	0.014 ± 0.014	1.971 ± 4.278	0.055 ± 0.053	0.033 ± 0.013	0.027 ± 0.033
289	Lactone (n.i.; m/z 99, 71, 87)	23:41.8	00:01.2	MS	1970	-	1.206	0.012 ± 0.022	0.121 ± 0.223	0.022 ± 0.036	0.025 ± 0.022	0.040 ± 0.034
290	γ-Hydroxymethyl-γ-butyrolactone	28:33.0	00:00.9	MS	>2100	-	0.725	1.594 ± 1.045	1.857 ± 1.170	2.753 ± 1.813	2.442 ± 1.912	1.735 ± 1.520
291	5-Ethoxydihydro-2(3H)-furanone	19:20.0	00:01.0	MS, LRI	1739	1728	0.666	0.054 ± 0.024	0.059 ± 0.031	0.071 ± 0.032	0.046 ± 0.027	0.062 ± 0.039
292	δ-Caprolactone	20:37.4	00:01.1	MS, LRI	1806	1818	0.121	0.344 ± 0.225	0.332 ± 0.181	0.357 ± 0.160	0.305 ± 0.174	0.288 ± 0.108
	Sulfur containing compounds
293	Methional	14:02.7	00:01.0	MS, LRI	1461	1461	11.821	0.018 ± 0.014 ^c	0.116 ± 0.047 ^a	0.060 ± 0.043 ^b	0.017 ± 0.005 ^c	0.027 ± 0.031 ^bc
294	2-(Methylthio)ethanol	15:29.0	00:00.8	S, MS, LRI	1524	1531	9.501	0.261 ± 0.063 ^b	0.356 ± 0.069 ^a	0.290 ± 0.094 ^ab	0.133 ± 0.020 ^c	0.237 ± 0.103 ^b
295	Methionol	19:08.8	00:00.9	S, MS, LRI	1729	1733	5.647	2.344 ± 0.660 ^bc	4.022 ± 1.550 ^a	3.056 ± 1.076 ^ab	1.741 ± 0.881 ^c	1.465 ± 0.676 ^c
296	Ethyl thiophene-2-carboxylate	20:02.0	00:01.2	MS	1775	-	4.883	0.024 ± 0.006 ^a	0.020 ± 0.003 ^ab	0.018 ± 0.005 ^bc	0.017 ± 0.004 ^bc	0.012 ± 0.002 ^c
297	4-(Methylthio)-1-butanol	21:26.0	00:00.9	MS	1850	-	4.672	0.011 ± 0.005 ^bc	0.022 ± 0.010 ^a	0.018 ± 0.009 ^ab	0.009 ± 0.004 ^c	0.007 ± 0.003 ^c
298	S-(3-hydroxypropyl) thioacetate	14:47.0	00:01.1	MS	1491	-	4.320	0.052 ± 0.015 ^b	0.083 ± 0.032 ^a	0.062 ± 0.016 ^b	0.048 ± 0.006 ^b	0.042 ± 0.020 ^b
299	2-Thiophenecarboxaldehyde	18:45.0	00:01.0	S, MS, LRI	1708	1701	3.796	0.039 ± 0.017 ^b	0.087 ± 0.046 ^a	0.063 ± 0.036 ^ab	0.032 ± 0.013 ^b	0.069 ± 0.020 ^ab
300	Ethyl methanesulfonate	18:31.0	00:00.9	MS	1695	-	3.638	0.177 ± 0.028 ^a	0.157 ± 0.037 ^a	0.159 ± 0.030 ^a	0.120 ± 0.023 ^b	0.163 ± 0.029 ^a
301	Ethyl 3-(methylthio)-trans-2-propenoate	19:41.0	00:01.2	MS, LRI	1757	1733	2.915	0.013 ± 0.007 ^b	0.021 ± 0.008 ^a	0.012 ± 0.004 ^b	0.018 ± 0.003 ^ab	0.010 ± 0.007 ^b
302	3-(Methylthio)propyl acetate	17:28.7	00:01.2	MS, LRI	1630	1627	2.832	0.589 ± 0.319 ^ab	0.731 ± 0.337 ^a	0.385 ± 0.305 ^bc	0.427 ± 0.061 ^bc	0.202 ± 0.087 ^c
303	Ethyl 3-(methylthio)-trans-2-propenoate	21:33.0	00:01.2	MS, LRI	1856	1837	2.795	0.002 ± 0.004 ^b	0.011 ± 0.006 ^a	0.006 ± 0.005 ^ab	0.010 ± 0.006 ^a	0.005 ± 0.006 ^ab
304	Diethyl sulfate	17:21.0	00:01.0	MS	1622	-	2.496	0.013 ± 0.003	0.010 ± 0.004	0.011 ± 0.003	0.009 ± 0.002	0.011 ± 0.002
305	Ethyl thiocyanate	21:05.2	00:01.2	MS	1831	-	2.399	0.250 ± 0.090	0.299 ± 0.119	0.279 ± 0.086	0.251 ± 0.073	0.112 ± 0.045
306	3-Ethoxythiophene	14:19.0	00:01.2	MS	1472	-	1.656	0.030 ± 0.015	0.042 ± 0.035	0.054 ± 0.039	0.023 ± 0.005	0.020 ± 0.018
307	S-[(2,5-dihydro-4-hydroxy-5-oxo-3-furanyl)methyl] ethanethioate	23:09.7	00:00.8	MS	1942	-	1.376	0.113 ± 0.149	0.032 ± 0.055	0.048 ± 0.057	0.030 ± 0.024	0.016 ± 0.020
308	1-(tert-Butylsulfonyl)-2-octanol	19:14.9	00:02.2	MS	1734	-	0.996	0.182 ± 0.125	0.193 ± 0.116	0.220 ± 0.078	0.160 ± 0.086	0.086 ± 0.078
309	Cyclohexyl isothiocyanate	18:17.0	00:01.6	MS, LRI	1681	1667	0.780	0.014 ± 0.011	0.017 ± 0.011	0.017 ± 0.009	0.014 ± 0.008	0.006 ± 0.005
310	3-[(2-Hydroxyethyl)thio]-1-propanol	20:58.0	00:00.9	MS	1825	-	0.515	0.020 ± 0.004	0.019 ± 0.006	0.027 ± 0.023	0.029 ± 0.026	0.022 ± 0.009
311	2-Methyldihydro-3(2H)-thiophenone	15:28.6	00:01.1	MS, LRI	1523	1538	0.510	1.630 ± 0.556	1.418 ± 0.673	1.130± 0.911	1.449 ± 0.752	1.235 ± 0.462
	Other compounds
312	2,6,10,10-Tetramethyl-1-oxaspiro[4.5]deca-3,6-diene	15:50.0	00:01.9	MS	1541	-	7.995	0.139 ± 0.058 ^a	0.025 ± 0.012 ^c	0.076 ± 0.036 ^b	0.054 ± 0.020 ^bc	0.075 ± 0.072 ^bc
313	Ethylene diglycol monoethyl ether	17:19.0	00:00.9	MS, LRI	1620	1622	5.688	0.081 ± 0.031 ^b	0.238 ± 0.114 ^a	0.175 ± 0.095 ^a	0.227 ± 0.062 ^a	0.261 ± 0.017 ^a
314	Acetic formic anhydride	15:59.6	00:00.7	MS	1549	-	1.865	0.065 ± 0.090	0.159 ± 0.132	0.151 ± 0.102	0.059 ± 0.084	0.040 ± 0.053
315	Crotonic anhydride	21:25.8	00:01.5	MS	1850	-	1.557	0.077 ± 0.060	0.063 ± 0.042	0.043 ± 0.023	0.065 ± 0.018	0.020 ± 0.017
316	1H-indole	31:00.2	00:00.9	MS, LRI	>2100	2420	1.036	0.044 ± 0.012	0.041 ± 0.019	0.037 ± 0.021	0.027 ± 0.005	0.035 ± 0.026
317	Methylsuccinic anhydride	18:59.0	00:00.9	MS	1720	-	0.517	0.013 ± 0.021	0.051 ± 0.112	0.038 ± 0.028	0.029 ± 0.026	0.053 ± 0.009

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 NIST 2.0, Wiley 8, and FFNSC 2 mass spectra electronic libraries or literature; n.i.—not identified. The compounds with only MS symbol in ID column were tentatively identified. LRI_lit—linear retention index from the literature, 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.