. 2017 Jan 31;54(2):538–557. doi: 10.1007/s13197-017-2499-6

Table 3.

Evolution of volatile compounds monitored online along alcoholic fermentation carried out by Saccharomyces yeast strain

Volatile compounds	ID	LRI	Peak area ± sd^c
Volatile compounds	ID	LRI	ST24	ST48	ST72	ST144	ST192
Acetals
Acetaldehyde diethylacetal^f	A	876	nd	6193 ± 219^a,b	10,607 ± 1467^b	54,828 ± 3506^a,b	42,198 ± 1594^a,b
2,4,5-Trimethyl-1,3-dioxolane^f	C	911	614 ± 4	491 ± 13^b	956 ± 56^a	6902 ± 757^a,b	8819 ± 683^b
Acetaldehyde ethyl amyl acetal^f	C	1069	nd	601 ± 3^a,b	1449 ± 189^a,b	8091 ± 89^a,b	5651 ± 369^a,b
Total of acetals			614	7285^a,b	13,012^a,b	69,821^a,b	56,668^a,b
Acids
Acetic acid^f	A	1444	7022 ± 906	6905 ± 888	5396 ± 775	11,031 ± 1146^a	9543 ± 1354
Propanoic acid^f	A	1536	742 ± 96	656 ± 80	648 ± 94	831 ± 102	683 ± 5
Isovaleric acid^e	A	1670	769 ± 90	648 ± 56	567.1 ± 1.0	665 ± 43	527 ± 16
Pentanoic acid^e	A	1739	496 ± 66	297.6 ± 1.0^b	293 ± 10^b	286 ± 5^b	255 ± 28^b
Hexanoic acid^f	A	1847	3129 ± 446	3136 ± 263	4392 ± 176^a	6094 ± 561	5551 ± 374
Heptanoic acid^e	A	1958	687 ± 93	386 ± 39	564 ± 77	389 ± 31^b	565 ± 81
Octanoic acid^f	A	2066	2042 ± 291	8433 ± 449^b	11,450 ± 392^a,b	10,697 ± 1544^b	11,299 ± 242^b
Nonanoic acid	A	2176	844 ± 117	1219.83 ± 0.19^b	907 ± 123	662 ± 89	1449 ± 203^a
Decanoic acid^f	A	2283	995 ± 110^a	2655 ± 113^a,b	4961 ± 111^a,b	5065 ± 679^b	5026 ± 75^b
Total of acids			16,753^a	24,336^a,b	29,179^a,b	35,719^a,b	34,897^b
Alcohols
Ethanol^d	A	922	3215 ± 30	6537 ± 605^b	6785 ± 365^b	8696 ± 305^a,b	8212 ± 76^b
1-Propanol^f	A	1017	1675 ± 29	7867 ± 122^a,b	7959 ± 123^b	10,132 ± 303^a,b	8346 ± 866^b
Isobutanol	A	1077	891 ± 58	1213 ± 81	1287 ± 33^b	1346 ± 178	1025 ± 53
1-Butanol	A	1134	988 ± 20	1549 ± 68^b	1250.8 ± 1.1^a,b	825 ± 92^a	622 ± 71^b
2-Methyl-1-butanol	A	1201	15,576 ± 632^a	34,803 ± 1522^a,b	37,770 ± 1883^b	50,969 ± 1812^a,b	45,303 ± 2586^b
3-Methyl-1-butanol^d	A	1206	871 ± 58^a	1636 ± 72^a,b	1421 ± 23^b	1387 ± 41^b	1272 ± 42^b
1-Pentanol^e	A	1245	2045 ± 40^a	866 ± 39^a,b	792 ± 17^b	417 ± 3^a,b	381.8 ± 2.3^a,b
1-Hexanol^e	A	1351	34,943 ± 296	11,934 ± 715^b	9992 ± 315^b	6106 ± 25^a,b	4225 ± 31^a,b
cis-2-Hexen-1-ol^e	C	1401	nd	nd	nd	nd	nd
1-Octen-3-ol^e	A	1445	17,768 ± 597^a	7084 ± 198^a,b	6010 ± 175^a,b	3094 ± 86^a,b	2227 ± 115^a,b
1-Heptanol^e	A	1456	8549 ± 652	3555 ± 68^b	2610 ± 77^a,b	1417 ± 25^a,b	1201 ± 50^a,b
6-Methyl-5-hepten-2-ol	C	1462	nd	658.7 ± 1.4^a,b	815 ± 7^a,b	899 ± 67^b	667 ± 60^b
2-Ethyl-1-hexanol^e	A	1488	1228 ± 120	600 ± 30c	578 ± 77c	640 ± 75	637 ± 86
2-Hepten-1-ol^e	C	1509	nd	nd	nd	nd	nd
1-Octanol^e	A	1558	3700 ± 397	3413 ± 60^b	3317 ± 106^b	1710 ± 186^a,b	1186 ± 23^b
cis-2-Octen-1-ol^e	B	1614	1455 ± 165^a	427 ± 20^a,b	303 ± 15^a,b	nd	nd
Furfuryl alcohol	A	1659	4425 ± 628	3372 ± 386	3262 ± 444	3348 ± 482	2838 ± 277
1-Nonanol^e	A	1663	1742 ± 223	672 ± 71^b	735 ± 110^b	331 ± 49^a,b	326 ± 4^b
3-Methylthio-1-propanol	B	1723	nd	nd	nd	nd	nd
4-Ethylbenzyl alcohol^f	C	1762	nd	310 ± 8^a,b	556 ± 49^a,b	363 ± 3^a,b	254 ± 12^a,b
1-Decanol^f	A	1764	nd	607 ± 35^a,b	1083 ± 15^a,b	765 ± 54^a,b	432 ± 19^a,b
Benzyl alcohol^e	A	1883	501 ± 45	347 ± 4^b	318 ± 4^b	208 ± 3^a,b	186 ± 11^b
2-Phenylethanol^d	A	1920	227 ± 31	1261 ± 78^b	919 ± 13^a,b	946 ± 47^b	1067 ± 6^b
Total of alcohols^d			5268	10,227^b	9911^b	11,855^a,b	11,249^b
Aldehydes
3-Methyl-butanal^e	C	890	nd	nd	nd	nd	nd
Hexanal^e	A	1040	nd	nd	nd	nd	nd
Heptanal^e	C	1149	nd	nd	nd	nd	nd
trans-2-Heptenal^e	B	1306	nd	nd	nd	nd	nd
Nonanal^e	A	1375	nd	nd	nd	nd	nd
2-Furfuraldehyde^e	A	1448	14,496 ± 2084	6664 ± 755^b	5260 ± 704^b	4553 ± 544^b	4245 ± 420^b
trans–trans-2,4-Heptadienal^e	C	1483	1286 ± 41^a	nd	nd	nd	nd
Benzaldehyde^e	A	1508	542 ± 74^a	233 ± 5^a,b	260 ± 27^b	285 ± 35^b	274 ± 35^b
trans-2-Nonenal^e	B	1525	nd	nd	nd	nd	nd
5-Methyl-2-furfuraldehyde^e	A	1563	652 ± 93	407 ± 8^b	399 ± 56^b	529 ± 75^b	314 ± 26^b
Cinnamaldehyde^e	C	1574	448 ± 66	253 ± 34	266 ± 33	173 ± 3^b	175 ± 14^b
trans-2-Decenal^e	B	1634	nd	nd	nd	nd	nd
Safranal^e	C	1635	nd	nd	nd	nd	nd
trans–trans-2,4-Nonadienal^e	B	1696	nd	nd	nd	nd	nd
trans–trans-2,4-Decadienal^e	B	1804	nd	nd	nd	nd	nd
5-Hydroxymethylfurfural	A	2489	909 ± 106	672.9 ± 0.7	805 ± 103	1154 ± 45^a,b	465 ± 57^a
Total of aldehydes			18,333^a	8230^a,b	6990^b	6693^b	5473^b
Acetic esters
Ethyl acetate	A	871	8359 ± 519	16,234 ± 104^b	23,209 ± 519^a,b	41, 238 ± 4762^a,b	37, 890 ± 2344^b
Propyl acetate^f	A	934	nd	467 ± 40^a,b	610 ± 27^b	756 ± 88^b	565 ± 60^b
Isobutyl acetate	A	971	237 ± 20	2644 ± 203^b	3872 ± 41^a,b	3847 ± 410^b	2320 ± 254^a,b
Isoamyl acetate^d,f	A	1081	48.2 ± 0.6^a	1151 ± 73^a,b	1608 ± 81^a,b	1705 ± 199^b	1153 ± 62^b
Amyl acetate^f	A	1136	nd	1969 ± 98^a,b	3095 ± 45^a,b	2368 ± 167^a,b	1149 ± 101^a,b
Hexyl acetate^f	A	1252	4806 ± 36^a	53,965 ± 3425^a,b	78,336 ± 485^a,b	46,441 ± 2127^a,b	23,961 ± 826^a,b
Heptyl acetate	B	1356	1212 ± 30^a,b	9352 ± 405^a,b	13,844 ± 142^a,b	6651 ± 32^a,b	3247 ± 47^a,b
Octyl acetate^f	A	1464	nd	5540 ± 185^a,b	11,319 ± 287^a,b	7289 ± 26^a,b	4205 ± 4^a,b
Nonyl acetate^f	B	1565	nd	1204 ± 23^a,b	2644 ± 130^a,b	1558 ± 164^a,b	1036 ± 112^b
Decyl acetate^f	B	1672	nd	556 ± 41^a,b	1716 ± 126^a,b	2414 ± 115^a,b	2281 ± 83^b
Benzyl acetate	A	1718	nd	230 ± 3^a,b	215 ± 3^a,b	164.2 ± 2.2^a,b	nq
2-Phenylethanol acetate^f	A	1806	1000 ± 128^a	89,451 ± 2541^a,b	61,507 ± 5304^a,b	50,422 ± 872^b	51,838 ± 461^b
Nerolidol acetate^f	C	2257	nd	nd	298 ± 25^a,b	691 ± 97^a,b	1023 ± 48^a,b
Total of acetic esters			20,433^a	296,712^a,b	361,498^a,b	334,354^b	244,861^a,b
Ethyl esters
Ethyl propanoate	A	924	209 ± 5	362 ± 6^b	626 ± 34^a,b	860 ± 74^b	866 ± 37^b
Ethyl 2-methylpropanoate	A	928	nd	nd	nd	nd	nd
Ethyl butyrate^f	A	997	426 ± 20^a	2423 ± 3^a,b	5636 ± 91^a,b	12,466 ± 1600^a,b	11,076 ± 1394^b
Ethyl 2-methylbutyrate^e	A	1012	nd	nd	nd	nd	nd
Ethyl valerate	A	1092	230,4 ± 1,3	352 ± 10	642 ± 16^a,b	1664 ± 178^a,b	1887 ± 109^b
Ethyl hexanoate^d,f	A	1210	41.86 ± 0.14^a	1603 ± 112^a,b	2989 ± 114^a,b	4317 ± 182^a,b	3620 ± 156^b
Ethyl heptanoate^f	A	1315	943 ± 49	12,828 ± 507^a,b	13,765 ± 280^b	15,435 ± 220^a,b	16,275 ± 276^b
Ethyl 2-hexenoate	B	1325	nd	nd	nd	226 ± 4^b	394 ± 10^a,b
Ethyl octanoate^d,f	A	1435	136,3 ± 2,2^a	4567 ± 121^a,b	8601 ± 893^a,b	14,101 ± 183^a,b	15,920 ± 19^a,b
Ethyl 7-octenoate^f	A	1473	nd	642 ± 30^b	779 ± 6^a,b	1339 ± 26^a,b	2431 ± 158^a,b
Ethyl nonanoate^f	A	1525	1065 ± 126^a	5573 ± 53^a,b	10,019 ± 63^a,b	13,327 ± 595^a,b	15,005 ± 87^b
Ethyl decanoate^d,f	A	1641	24.5 ± 1.8^a	1353 ± 52^a,b	3708 ± 589^a,b	9668 ± 32^a,b	10,261 ± 295^b
Ethyl 9-decenoate^f	B	1686	nd	14,756 ± 415^a,b	36,581 ± 4997^a,b	67,374 ± 15^a,b	107,580 ± 2435^a,b
Ethyl undecanoate^f	A	1730	nq	479 ± 9^a,b	886 ± 88^a,b	2397 ± 59^a,b	2402 ± 35^b
Ethyl phenylacetate	A	1774	nq	319 ± 26^a,b	246 ± 8	282 ± 12^b	310 ± 11^b
Ethyl dodecanoate^d,f	A	1838	1.69 ± 0.23	99 ± 4^b	325 ± 44^a,b	1627 ± 23^a,b	1657 ± 79^b
Ethyl tetradecanoate	A	2041	nq	256 ± 20^a,b	737 ± 71^a,b	2957 ± 399^a,b	3302 ± 129^b
Ethyl hexadecanoate^f	A	2250	nq	nq	411.2 ± 1.7^a,b	1330 ± 179^a,b	1717 ± 63^b
Total of ethyl esters			23,309^a	800,155^a,b	1632,542^a,b	3091,015^a,b	3308,983^a,b
Isoamyl esters
Isoamyl propionate	C	1155	nd	220 ± 21^a,b	349 ± 7^a,b	554 ± 20^a,b	454.9 ± 0.3^a,b
Isoamyl hexanoate^f	A	1450	nd	2439 ± 90^a,b	6615 ± 724^a,b	11,509 ± 392^a,b	8916 ± 76^a,b
Isoamyl octanoate^f	A	1654	nd	7176 ± 184^a,b	15,667 ± 1742^a,b	32,624 ± 816^a,b	31,538 ± 616^b
Isoamyl decanoate^f	B	1854	nd	700 ± 72^a,b	2282 ± 324^a,b	10,581 ± 572^a,b	15,170 ± 904^a,b
Total of isoamyl esters			–	10,535^a,b	24,913^a,b	55,268^a,b	56,079^b
Methyl Esters
Methyl hexanoate^f	A	1151	204 ± 3^a	797 ± 33^a,b	1392 ± 42^a,b	983 ± 106^a,b	526 ± 12^a,b
Methyl octanoate^f	A	1371	623 ± 50^a	2932 ± 124^a,b	3304 ± 127^b	2691 ± 76^a,b	2023 ± 73^a,b
Methyl decanoate^f	A	1581	164 ± 3^a	981 ± 77^a,v	2066 ± 261^a,b	2260 ± 143^b	1617 ± 12^a,b
Methyl salicylate^f	A	1762	nq	nq	nq	297 ± 13^a	374 ± 24^b
Total of methyl esters			991^a	4711^a,b	6761^a,b	6231^v	4540^a,b
Others esters
Propyl hexanoate^f	B	1299	nd	425 ± 13^a,b	627 ± 31^a,b	836 ± 33^a,b	625 ± 7^a,b
Propyl octanoate^f	A	1509	nd	406 ± 5^a,b	778 ± 85^a,b	1301 ± 45^a,b	1148 ± 50^b
Propyl decanoate^f	B	1712	nd	nq	257 ± 38^a,b	858 ± 32^a,b	750 ± 41^b
Isobutyl hexanoate^f	B	1335	nd	388 ± 15^a,b	662 ± 5^a,b	745 ± 73^b	465 ± 7^a,b
Isobutyl octanoate^f	A	1542	nd	899 ± 19^a,b	1690 ± 171^a,b	3624 ± 136^a,b	3091 ± 74^a,b
Isobutyl decanoate	B	1746	nd	nd	277 ± 12^a,b	1364 ± 111^a,b	1570 ± 64^b
Total of other ester			–	2188^a,b	4291^a,b	8728^a,b	7650^a,b
Ketones
2-Pentanone^e	A	939	385 ± 45	nd	nd	nd	nd
3-Penten-2-one^e	C	1094	nd	nd	nd	nd	nd
2-Heptanone^e	C	1152	691 ± 44	234 ± 6^b	221 ± 14^b	205 ± 7^b	nd
2-Pentylfuran^e	B	1196	29,825 ± 275	14,917 ± 489^b	13,853 ± 1139^b	1546 ± 71^a,b	571 ± 34^a,b
3-Octanone^e	B	1233	1845 ± 76	489 ± 7^b	540 ± 69^b	225 ± 1^a,b	nq
2-Octanone^e	B	1266	4118 ± 234	748.6 ± 1.4^b	564 ± 49^a,b	228 ± 14^a,b	180.7 ± 2.1^a,b
trans-2,2-Pentenyl-furan^e	C	1271	1456 ± 40	421 ± 3^b	392 ± 12^b	nd	nd
Acetoin^d	A	1273	650 ± 38	1522 ± 90^b	1664 ± 40^b	1477 ± 115^b	654.2 ± 0.6^a
1-Hydroxy-2-propanone	A	1286	3346 ± 493	2970 ± 420	3160 ± 446	2883 ± 150	2782 ± 124
2-Hexylfuran^e	C	1303	312.37 ± 0.17	355 ± 22	324 ± 6	nq	nq
6-Methyl-5-hepten-2-one^e	A	1319	4016 ± 71	5999 ± 292^b	5618 ± 205^b	3493 ± 152^a	2645 ± 259^b
1-Hydroxy-2-butanone	B	1363	1442 ± 209	1339 ± 190	1572 ± 208	1271 ± 18	1427 ± 111
2-Nonanone	A	1374	1628 ± 40	841 ± 27^b	793 ± 72^b	1517 ± 12^a	1023 ± 47^a
2-Acetilfuran^e	A	1493	1033 ± 137	610 ± 9^b	637 ± 80	576 ± 79^b	427 ± 58^b
Dihydro-3(2H)-thiophenone	C	1515	nd	nd	nd	nd	nd
6-Methyl-3,5-heptadiene-2-one^e	B	1588	6926 ± 913^a	1677 ± 43^a,b	697 ± 65^a,b	nq	nq
Acetofenone	A	1641	750 ± 66	431 ± 10	356 ± 34^b	nd	nd
1,2-Cyclopentanedione	C	1775	2838 ± 357	2861 ± 319	2912 ± 345	3460 ± 479	2619 ± 335
Cyclotene	B	1841	440 ± 47	369 ± 23	373 ± 49	321 ± 36	215 ± 3
Total of ketones			126,097	186,469^b	198,450^b	163,455	77,256^a,b
Lactones
γ-Butyrolactone^e	A	1625	2743 ± 33^a	1837 ± 26^a,b	1607 ± 124^b	1344 ± 79^b	1223 ± 6^b
γ-Nonalactona^e	B	2039	1208 ± 180	1502 ± 38	1432 ± 95	1025 ± 124	999 ± 20
Total of lactones			3951	3339^b	3039^a,b	2370^a,b	2222^b
C ₁₃-Norisoprenoids
TDN^f	A	1727	718 ± 54	887 ± 25	1006 ± 88	1067.4 ± 0.3	1017 ± 37
β-Damascenone^e	A	1813	1071 ± 88^a	906 ± 3^a,b	819 ± 7^a,b	588 ± 39^a,b	600 ± 69^b
β-Ionone^e	A	1941	nq	nq	nq	nd	nd
Total of C₁₃-Norisoprenoids			1789^a	1793^b	1825^b	1656^b	1616^b
Terpenes
1R-α-Pinene^e	C	976	1572 ± 190	1311 ± 74	1512 ± 22	878 ± 61^a	395 ± 32^a,b
Roseoxide	C	1119	nd	nd	nd	316 ± 26^b	331 ± 22^b
Myrtenal	C	1123	486 ± 19	893 ± 4^b	1148 ± 74^a,b	583 ± 14^a	330 ± 18^a,b
Limonene	A	1149	379 ± 23	880 ± 18^b	354 ± 8^a	nq	nq
Cymene^e	B	1237	563 ± 26	317 ± 5^b	315 ± 9^b	nd	nd
trans-Linalool oxide^e	B	1468	nq	nq	nd	nd	nd
2-Bornene^e	C	1517	616 ± 25^a	392 ± 5^a,b	364 ± 24^b	233 ± 32^a,b	189 ± 4^b
Linalool^e	A	1542	219 ± 28^a	227 ± 5^a,b	238 ± 11	nd	nd
Citronellol^h	A	1767	nd	488 ± 15^a,b	535 ± 31^b	615 ± 58^b	673 ± 41^b
α-Calacorene^e	B	1901	nd	nd	nd	nd	nd
Nerolidol^f	A	2037	nd	nd	nd	370 ± 40^a,b	403 ± 26^b
n.i. (m/z 69, 93, 121)^f	–	1743	nd	1029 ± 48^a,b	1326 ± 109^b	830 ± 99^a,b	693 ± 68^b
Total of terpenes			3833^a	5536^a,b	5793^b	3825^a,b	3015^a,b
Volatile phenols
Guaiacol^e	A	1858	nq	nq	nq	nq	nq
4-Vinylguaiacol^f	A	2203	nq	274 ± 32^a,b	465 ± 47^a,b	890 ± 7^a,b	1976 ± 110^a,b
Coumaran^e	C	2406	174 ± 10	187 ± 7	214 ± 29	176 ± 11	229 ± 6a
Total of volatile phenols			174	460^a	679^a	1066^a,b	2204^a,b
Others compounds
2-Methylpyrazine^e	A	1256	619 ± 75^a	327 ± 7^a	233 ± 15^a	nq	nq
Indole	B	2436	182.2 ± 0.9^a	806 ± 29^a,b	1196 ± 34^a,b	316 ± 26^a	nq
Unidentified compounds
n.i. (m/z 59, 43)	–	1328	nq	461 ± 14^a,b	456 ± 25^b	720 ± 35^a,b	506 ± 11^a,b
n.i. (m/z 67, 85, 151)^e	–	1395	1180 ± 38	1249 ± 19	1403 ± 13^a	755 ± 5^a,b	419 ± 24^a,b
n.i. (m/z 55,88, 101)^f	–	1887	nd	192 ± 3^a,b	774 ± 97^a,b	4071 ± 330^a,b	5952 ± 17^a,b
n.i. (m/z 126, 73)^e	–	2106	788 ± 49^a	nq	317 ± 34^a,b	nq	nq

ID: reliability of identification: A, mass spectrum and LRI agreed with standards; B, mass spectrum agreed with mass spectral data base and LRI agreed with the literature data; C, mass spectrum agreed with mass spectral data base

nd: peak not detected or lower than detection limit (a signal-to-noise ratio higher than or equal to 3); nq: lower than quantification limit (a signal-to-noise ratio higher than or equal to 10)

^aThere is significant different (p < 0.05) with previous sample

^bThere is significant different (p < 0.05) with substrate, only for samples from 48 to 192 h

^cValue of peak area and sd have been divided per 1000

^dValue of peak area and sd have been divided per 100,000

^eVariable highly correlated with substrate and T24 (non-Saccharomyces and Saccharomyces)

^fVariable highly correlated with samples from T48 to T192 Saccharomyces