. 2022 Aug 20;11(16):2516. doi: 10.3390/foods11162516

Table 4.

Headspace volatile composition of cultivated highbush blueberry fruit of the cultivars ‘Duke’, ‘Brigitta’, ‘Jersey’, ‘Liberty’ and ‘Aurora’ determined by 2-dimensional gas chromatography–time of flight–mass spectrometry (GCxGC-TOF-MS) ¹.

Compound	RI	RI-Ref ²	Sim ³	Volatile Composition (Area Counts)							F Prob ⁴	%
Compound	RI	RI-Ref ²	Sim ³	Duke	Brigitta	Jersey	Liberty	Aurora	Mean	SEM	F Prob ⁴	%
Acids
2-Ethylhexenoic acid	1935	1952	933	-- ⁵	227	306	--	442	195	191	ns	0.10
Total				--	227	306	--	442	195	191	ns	0.10
Alcohols
(E)-2-Hexen-1-ol	1404	1402	933	4509	2895	1493	4395	4530	3564	646	0.012	1.82
(E)-2-Hexen-4-yn-1-ol	1221	na ⁶	856	1854	1604	685	2651	4001	2159	718	0.046	1.10
1-Hexanol	1347	1373	923	2141	1058	1531	2447	2324	1900	249	0.004	0.97
2-Ethyl-1-hexanol	1487	1492	924	1885	1827	1468	538	3080	1760	1034	ns	0.90
1-Pentanol	1245	1242	896	636	1514	1298	1414	634	1099	221	0.022	0.56
2-Hexyn-1-ol	1205	1207	886	993	960	643	1418	1174	1038	349	ns	0.53
(Z)-3-Hexen-1-ol	1383	1381	941	1177	149	1195	835	540	779	143	<0.001	0.40
2-Butanol	1016	1020	843	221	188	329	638	449	365	69	0.001	0.19
1-Octen-3-ol	1446	1443	868	141	288	215	242	266	230	53	ns	0.12
Cyclobutanol	1043	NA	789	131	198	172	131	284	183	51	ns	0.09
Total				13,689	10,680	9028	14,709	17,282	13,185	2155	ns	6.69
Aldehydes
(E)-2-Hexenal	1222	1216	941	49,150	49,217	22,884	69,553	73,969	52,955	6302	<0.001	27.09
Hexanal	1083	1087	905	29,102	14,807	14,784	21,079	18,948	19,744	2270	0.002	10.10
(Z)-3-Hexenal	1148	1146 ⁷	887	31,965	1581	8590	9550	7589	11855	3119	<0.001	6.06
Pentanal	979	981	899	1800	7104	1710	5148	4975	4148	1065	0.008	2.12
(E,E)-2,4-Hexadienal	1405	1401	926	2022	469	636	1162	1068	1071	201	<0.001	0.55
(E)-3-Hexenal	1137	1138	866	1302	745	732	886	878	909	232	ns	0.46
Heptanal	1186	1184	909	274	1161	425	697	1338	779	231	0.018	0.40
Nonanal	1396	1389	897	990	621	298	331	233	494	276	ns	0.25
Methacrolein	881	890	844	113	610	187	333	589	366	110	0.013	0.19
4-Pentenal	1133	1129	852	88	345	143	287	755	323	59	<0.001	0.17
(E)-2-Heptenal	1329	1323	922	319	388	202	212	318	288	109	ns	0.15
Octanal	1291	1284	919	249	196	--	75	244	153	90	ns	0.08
(E)-2-Octenal	918	913	835	30	176	--	82	263	110	64	0.053	0.06
3-Methylbutanal	1435	1436	909	81	81	130	35	116	89	53	ns	0.05
Total				117,485	77,501	50,721	109,430	111,282	95,184	9472	<0.001	47.72
Esters-Branched Chain
Methyl 3-methylbutanoate	1018	1016	933	1803	5783	12664	--	1332	4316	826	<0.001	2.21
Methyl 2-methylbutanoate	1010	1008	896	--	563	1012	--	--	315	68	<0.001	0.16
Ethyl 3-methylbutanoate	1065	1066	942	7	177	398	--	--	116	48	<0.001	0.06
Total				1809	6523	14,073	--	1332	4895	1062	<0.001	2.43
Esters-Straight Chain
Ethyl acetate	894	893	866	331	74	3093	--	--	699	133	<0.001	0.36
Methyl acetate	858	856	857	--	1639	1288	--	409	667	140	<0.001	0.34
(Z)-2-Hexen-1-ol acetate	1334	1329	881	1397	337	80	665	539	604	116	<0.001	0.31
Total				1727	2051	4461	665	948	1887	320	<0.001	1.01
Furans
2-Ethylfuran	951	950	918	364	89	220	393	481	309	93	0.06	0.16
Tetrahydrofuran	880	862	850	46	--	242	422	185	179	20	<0.001	0.09
Total				410	89	462	816	666	535	122	0.001	0.25
Hydrocarbons
Hexane	594	600	852	10127	7083	8141	10429	8238	8804	4146	ns	4.50
Ethylcyclobutane	809	692 ⁷	886	2079	1936	1980	1994	1986	1995	712	ns	1.02
(Z,Z)-2,4-Hexadiene	738	na	933	686	51	45	260	383	285	107	0.003	0.15
Toluene	1048	1053	916	133	121	605	--	--	172	40	<0.001	0.09
(E,Z)-2,4-Hexadiene	754	na	937	23	205	62	286	157	147	73	ns	0.08
Total				13,048	9395	10,834	12,969	10,765	11,463	4888	ns	5.83
Ketones
2-Butanone	905	903	916	21,885	5006	16,128	14,576	8948	13,309	854	<0.001	6.81
6-Methyl-5-hepten-2-one	1338	1340	884	3923	2772	657	2336	1820	2302	458	0.002	1.18
3-Ethylidene-1-methoxy-5-hexen-2-one	1325	na	731	5929	119	43	1568	--	1532	51	<0.001	0.78
Acetone	852	836	953	354	406	377	554	348	408	48	0.043	0.21
1-Penten-3-one	1022	1032	878	164	484	134	332	506	324	98	0.04	0.17
2-Heptanone	1182	1180	927	843	44	26	346	195	291	143	0.005	0.15
3-Methyl-3-buten-2-one	995	997 ⁸	935	155	368	161	61	679	285	109	0.006	0.15
1-Octen-3-one	1304	1301	842.5	35	255	--	58	219	113	71	0.066	0.06
Total				33,287	9454	17,526	19,832	12,715	17,923	1963	<0.001	9.50
Monoterpenoids
Linalool	1542	1540	902	48,358	8419	7395	15,063	9012	17,649	1408	<0.001	9.03
Linalool acetate	1543	1548	866	31,870	--	--	34	30	6387	23	<0.001	3.27
α-Terpineol	1698	1690	933	11,103	1428	2097	3456	2993	4215	1696	0.005	2.16
(2R,5R)-2-Methyl-5-(prop-1-en-2-yl)-2-vinyltetrahydrofuran	1243	1233	905	12,803	216	105	2565	96	3157	94	<0.001	1.61
Limonene	1211	1226	892	11,375	437	543	2500	917	3154	1118	<0.001	1.61
β-Myrcene	1201	1226	885	8391	533	540	1228	707	2280	1119	<0.001	1.17
(2R,5S)-2-Methyl-5-(prop-1-en-2-yl)-2-vinyltetrahydrofuran	1162	1164	886	9476	--	--	624	--	2020	75	<0.001	1.03
α-Ocimene	1234	1238	900	6264	334	233	798	383	1602	889	<0.001	0.82
Terpinolene	1210	1204	850	6576	18	46	644	158	1489	1024	<0.001	0.76
Eucalyptol	1285	1280	898	--	4650	250	2417	38	1471	245	<0.001	0.75
1,3,8-p-Menthatriene	1234	1242	912	5427	--	--	1175	--	1320	239	<0.001	0.68
Dehydro-p-cymene	1616	1627 ⁷	888	4424	--	42	456	--	984	67	<0.001	0.50
β-Ocimene	1443	1440	915	3370	175	121	468	279	883	481	<0.001	0.45
o-Cymene	1276	1284	936	2316	--	--	258	0	515	5	<0.001	0.26
Geraniol	1844	1851	855	1614	44	78	314	336	477	247	0.001	0.24
α-Terpinene	1182	1178	858	1988	--	--	193	0	436	306	<0.001	0.22
2,6,6-Trimethyl-2-vinyltetrahydropyran	1111	1112	827	906	--	--	57	1094	411	189	<0.001	0.21
(E)-Geranylacetone	1849	1857	820	364	900	--	549	191	401	77	<0.001	0.21
(E)-Dihydrocarvone	1616	1627 ⁷	888	1594	--	--	--	--	319	0	ns	0.16
Unknown 1611	1611			1035	--	--	381	--	283	72	<0.001	0.14
2,6-Dimethyl-2,6-octadiene	1405	na	797	65	494	--	270	396	245	119	0.041	0.13
γ-Terpinene	1248	1241	864	1125	--	--	25	--	230	191	0.002	0.12
α-Phellandrene	1167	1172	890	1125	--	--	--	--	225	0	ns	0.12
P-Cymene-8-ol	1845	1839	859	705	--	--	--	--	141	0	ns	0.07
Z-Linalool oxide	1519	1513	873	91	--	--	442	--	107	13	<0.001	0.05
β-Phellandrene	1212	1212	869	39	--	--	130	25	39	19	<0.001	0.02
Total				172,402	17,647	11,448	34,047	16,655	48,273	11,115	<0.001	25.80
Sulfur compounds
Dimethyl trisulfide	1391	1390	903	3759	--	--	--	--	752	49	<0.001	0.38
Dimethyl disulfide	1079	1069	944	2578	--	--	--	--	516	394	<0.001	0.26
Total				6337	--	--	--	--	1027	747	<0.001	0.65
Grand Total				360,259	133,672	118,910	192,484	172,128	206,647	26,301	<0.001	100

¹ Values are means of 2 harvests from 3 commercial fields for each cultivar (n = 6). Only compounds with an average relative abundance >0.05% are shown. ² Reference RI values are the average of 3 or more values from the NIST 2017 RI Database unless indicated otherwise. ³ MS Similarity values are the average of 3 samples unless indicated otherwise. ⁴ Significance of effects among cultivars based on ANOVA. ⁵ Value was below the threshold relative abundance of 0.01%. ⁶ na-RI not available in published databases. ⁷ Based on 1 value. ⁸ Based on 2 value.