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

Table 2.

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

Volatile compounds	ID^d	LRI	Peak area ± sd^e
Volatile compounds	ID^d	LRI	MT0	NST24	NST48	NST72	NST144	NST192
Acetals
Acetaldehyde diethylacetal	A	876	nd	253 ± 33^a,b	2488 ± 265^a,b,c	3971 ± 565^b,c	11,171 ± 1250^a,b,c	10,594 ± 1152^b,c
2,4,5-Trimethyl-1,3-dioxolane	C	911	764 ± 74	514 ± 52	230 ± 26^a,b,c	286 ± 22^b,c	253 ± 19^b,c	270 ± 21^b,c
Acetaldehyde ethyl amyl acetal	C	1069	nd	nd	291 ± 36^a,b,c	557 ± 4^a,b,c	3817 ± 375^a,b,c	3572 ± 120^b,c
Total of acetals			764	767	3010^a,b,c	4814^b,c	15,240^a,b,c	14,473^b,c
Acids
Acetic acid	A	1444	7194 ± 1073	6464 ± 726	5564 ± 768	4921 ± 363	3703 ± 378^b,c	3247 ± 390^b,c
Propanoic acid	A	1536	598 ± 52	796 ± 89	603 ± 60	560 ± 66	485 ± 68	620 ± 37
Isovaleric acid^g	A	1670	491 ± 68	495 ± 53	393.9 ± 0.9^b	413 ± 21^b	257 ± 35^a,b,c	284 ± 15^b
Pentanoic acid^g	A	1739	562 ± 76	463 ± 30	263 ± 35^a,c	241 ± 33^c	237 ± 31^c	197 ± 17^c
Hexanoic acid	A	1847	3871 ± 526	2931 ± 164	1718 ± 236^a,b,c	1662 ± 208^b,c	1306 ± 180^b,c	1215 ± 24^b,c
Heptanoic acid^g	A	1958	666 ± 85	749 ± 101	558 ± 35^b	609 ± 78	480 ± 36	550 ± 54
Octanoic acid	A	2066	1171 ± 165	2421 ± 331^a	2750 ± 51^b,c	1632 ± 235^a,b	1041 ± 112^b	1337 ± 180^b
Nonanoic acid^h	A	2176	788 ± 108	1362 ± 180	1743 ± 255^c	988 ± 87	611 ± 71^a	1266 ± 174^a
Decanoic acid	A	2283	237 ± 26	1721 ± 204^a,b	2182 ± 176^c	1860 ± 28^b,c	612 ± 69^a,b,c	628 ± 87^b,c
Total of acids			15,577	17,400	15,775^b	12,886^b	8733^a,b,c	9344^b,c
Alcohols
Ethanol^f,h	A	922	3441 ± 355	3905 ± 556	6258 ± 14^a,c	6099 ± 268^c	8078 ± 135^a,c	8531 ± 598^c
1-Propanol	A	1017	1590 ± 114	2717 ± 347^a	7523 ± 943^a,c	5372 ± 251^b,c	6498 ± 141^a,b,c	6794 ± 512^c
Isobutanol^h	A	1077	885 ± 97	1138 ± 75	2110 ± 152^a,b,c	1804 ± 104^b,c	2041 ± 125^b,c	2754 ± 236^b,c
1-Butanol^h	A	1134	1099 ± 36	968 ± 34	821 ± 17^a,b,c	770 ± 23^b,c	1209 ± 18^a,b	1445 ± 14^a,b,c
2-Methyl-1-butanol^h	A	1201	9851 ± 1237	22,981 ± 2052^a,b	33,800 ± 889^a,c	44,924 ± 2545^a,c	53,950 ± 2587^c	52,117 ± 3299^c
3-Methyl-1-butanol^f,h	A	1206	444 ± 45	799 ± 85^a	1818 ± 231^a,c	1598 ± 11^b,c	3320 ± 64^a,b,c	3595 ± 28^a,b,c
1-Pentanol^g	A	1245	3084 ± 171	2159 ± 319	1029 ± 31^a,b,c	865 ± 77^c	605 ± 30^a,b,c	422 ± 53^c
1-Hexanol^g	A	1351	42,527 ± 2847	32,803 ± 1103^a	14,269 ± 1384^a,c	13,318 ± 237^b,c	6181 ± 240^a,c	4765 ± 37^a,b,c
cis-2-Hexen-1-ol^g	C	1401	3560 ± 351	nd	nd	nd	nd	nd
1-Octen-3-ol^g	A	1445	26,032 ± 1262	16,571 ± 2338^a	8669 ± 1266^c	8671 ± 532^b,c	3809 ± 19^a,b,c	2701 ± 167^a,c
1-Heptanol^g	A	1456	8412 ± 84	7850 ± 833	4027 ± 437^a,c	3554 ± 172^b,c	1380 ± 33^a,c	1059 ± 6^a,c
6-Methyl-5-hepten-2-ol	C	1462	nd	651 ± 76^a,b	1917 ± 95^a,b,c	2111 ± 29^b,c	1627.6 ± 1.7^a,b,c	1236 ± 63^a,b,c
2-Ethyl-1-hexanol^g	A	1488	1198 ± 176	1147 ± 156	899 ± 125	768 ± 96	451 ± 31^a,c	454 ± 57^c
2-Hepten-1-ol^g	C	1509	1338 ± 37	nd	nd	nd	nd	nd
1-Octanol^g	A	1558	4780 ± 233	3514 ± 430	2034 ± 134^a,b,c	1735 ± 46^b,c	621 ± 15^a,b,c	490 ± 50^b,c
cis-2-Octen-1-ol^g	B¹	1614	2070 ± 77	1004 ± 128^a	215 ± 22^a,b,c	332 ± 47^c	nq	nq
Furfuryl alcohol	A	1659	3040 ± 414	3789 ± 430	3123 ± 466	2759 ± 125	2646 ± 199	3276 ± 408
1-Nonanol^g	A	1663	1998 ± 187	1509 ± 49	274 ± 16^a,b,c	nd	nd	nd
3-Methylthio-1-propanol^h	B²	1723	nd	nd	245 ± 31^a,b,c	213 ± 18^b,c	197 ± 25^b,c	nq
4-Ethylbenzyl alcohol	C	1762	nd	nd	nd	nd	nd	nd
1-Decanol	A	1764	nd	nd	nd	nd	nd	nd
Benzyl alcohol^g	A	1883	693 ± 46	579 ± 24	356 ± 15^a,c	313.8 ± 1.0^c	254 ± 8^a,b,c	230 ± 5^b,c
2-Phenylethanol^f,h	A	1920	188 ± 12	206,2 ± 1.7	918 ± 133^a,c	706 ± 11^b,c	1885 ± 34^a,b,c	1994 ± 181^b,c
Total of alcohols^f			5195	5904	9833^a,c	9292^c	14,068^a,b,c	14,898^b,c
Aldehydes
3-Methyl-butanal^g	C	890	3903 ± 577	nd	nd	nd	nd	nd
Hexanal^g	A	1040	2483 ± 331	nd	nd	nd	nd	nd
Heptanal^g	C	1149	343 ± 6	nd	nd	nd	nd	nd
trans-2-Heptenal^g	B³	1306	3289 ± 282	nd	nd	nd	nd	nd
Nonanal^g	A	1375	1514 ± 104	nd	nd	nd	nd	nd
2-Furfuraldehyde^g	A	1448	18,968 ± 1883	12,614 ± 1413	5590 ± 826^a,c	4272 ± 589^c	4149 ± 597^c	4919 ± 13^c
trans–trans-2,4-Heptadienal^g	C	1483	3156.4 ± 2.3	nd	nd	nd	nd	nd
Benzaldehyde^g	A	1508	5507 ± 243	378 ± 13^a	289 ± 35^c	253 ± 32^c	254 ± 19^c	267 ± 7^c
trans-2-Nonenal^g	B⁴	1525	924 ± 114	nd	nd	nd	nd	nd
5-Methyl-2-furfuraldehyde^g	A	1563	861 ± 9	844 ± 93	745 ± 101^b	407 ± 53^c	402 ± 49^c	404 ± 51^c
Cinnamaldehyde^g	C	1574	309 ± 42	405 ± 4	263.6 ± 1.3^a	292 ± 37	246 ± 33	252 ± 22^b
trans-2-Decenal^g	B⁵	1634	961 ± 64	nd	nd	nd	nd	nd
Safranal^g	C	1635	791 ± 84	369 ± 26^a	nd	nd	nd	nd
trans–trans-2,4-Nonadienal^g	B⁵	1696	725 ± 77	nd	nd	nd	nd	nd
trans–trans-2,4-Decadienal^g	B⁵	1804	5168 ± 266	nd	nd	nd	nd	nd
5-Hydroxymethylfurfural	A	2489	673 ± 39	2462 ± 317^a,b	1216 ± 159^a,b,c	515 ± 71^a	564 ± 70^b	642 ± 83
Total of aldehydes			49,657	16,703^a	8104^a,c	5739^c	5616^c	6485^b,c
Acetic esters
Ethyl acetate^h	A	871	9404 ± 1315	8741 ± 687	18,255 ± 105^a,b,c	23,923 ± 317^a,c	65,748 ± 1463^a,b,c	71,432 ± 1161^a,b,c
Propyl acetate	A	934	nd	nd	160 ± 11^a,b,c	195 ± 8^b,c	434 ± 27^a,b,c	504 ± 9^c
Isobutyl acetate^h	A	971	166 ± 17	248.5 ± 1.2^a	1420 ± 80^a,b,c	2037 ± 33^a,b,c	7025 ± 177^a,b,c	6958 ± 19^b,a
Isoamyl acetate^f	A	1081	8.2 ± 0.7	27.7 ± 1.3^a,b	233 ± 7^a,b,c	342 ± 18^a,b,c	1004.8 ± 0.5^a,b,c	992 ± 10^c
Amyl acetate	A	1136	nd	nd	nd	223 ± 31^a,b,c	nd	nd
Hexyl acetate	A	1252	398 ± 39	578 ± 74^b	633 ± 75^b	797 ± 4^b,c	474 ± 6^a,b	262 ± 16^a,b,c
Heptyl acetate	B³	1356	nd	nd	nd	nd	nd	nd
Octyl acetate	A	1464	nd	nd	nd	nd	nd	nd
Nonyl acetate	B³	1565	nd	nd	nd	nd	nd	nd
Decyl acetate	B³	1672	nd	nd	nd	nd	nd	nd
Benzyl acetate	A	1718	nd	nd	nd	nd	nd	nd
2-Phenylethanol acetate	A	1806	517 ± 68	196 ± 8^a,b	820 ± 110^a,b	789 ± 106^b	2507 ± 47^a,b,c	2577 ± 330^b,c
Nerolidol acetate	C	2257	nd	nd	nd	nd	nd	nd
Total of acetic esters			11,306	12,539^b	44,614^a,b,c	62,164^a,b,c	176,670^a,b,c	180,925^b,c
Ethyl esters
Ethyl propanoate^h	A	924	182 ± 23	236 ± 27	1274 ± 167^a,b,c	2617 ± 134^a,b,c	8655 ± 142^a,b,c	6812 ± 307^a,b,c
Ethyl 2-methylpropanoate^h	A	928	nd	nd	179.9 ± 2.2^a,b,c	184 ± 9^b,c	426 ± 17^a,b,c	437 ± 17^b,c
Ethyl butyrate	A	997	256 ± 31	270 ± 37^b	887 ± 21^a,b,c	1427 ± 21^a,b,c	6209 ± 207^a,b,c	7807 ± 282^a,c
Ethyl 2-methylbutyrate^g	A	1012	198 ± 10	nd	nd	nd	nd	nd
Ethyl valerate^h	A	1092	259 ± 38	186 ± 23	268 ± 9^a,b	445 ± 21^a,b,c	1667 ± 6^a,c	1570 ± 188^c
Ethyl hexanoate^f	A	1210	28.3 ± 1.0	37 ± 3	179 ± 8^a,b,c	333 ± 11^a,b,c	435 ± 31^a,b,c	363 ± 14^b,c
Ethyl heptanoate	A	1315	705 ± 83	1246 ± 110^a	5344 ± 60^a,b,c	7207 ± 230^a,b,c	6873 ± 199^b,c	4701 ± 434^a,b,c
Ethyl 2-hexenoate^h	B⁶	1325	nd	nd	nd	nd	361 ± 16^a,b,c	408.5 ± 1.2^c
Ethyl octanoate^f	A	1435	29 ± 4	159 ± 7^a	738 ± 74^a,b,c	522.4 ± 0.3^b,c	490 ± 36^b,c	447 ± 61^b,c
Ethyl 7-octenoate	A	1473	nd	nd	315 ± 23^a,c	376 ± 6^b,c	393 ± 25^b,c	515 ± 72^b,c
Ethyl nonanoate	A	1525	1673 ± 133	2494 ± 254^b	4305 ± 194^a,b,c	3945 ± 283^b,c	2482 ± 196^a,b,c	2135 ± 310^b
Ethyl decanoate^f	A	1641	7.4 ± 0.8	278 ± 18^a,b	509 ± 37^a,b,c	560 ± 39^b,c	436 ± 34^b,c	536 ± 73^b,c
Ethyl 9-decenoate	B⁶	1686	nd	nd	3149 ± 432^a,c	2216 ± 15^b,c	1835 ± 234^b,c	3174 ± 413^b,c
Ethyl undecanoate	A	1730	nq	177 ± 3^a,b	nq	177 ± 20^a,b,c	nq	nq
Ethyl phenylacetate^h	A	1774	221 ± 14	173 ± 8^b	620 ± 89^a,b,c	342.6 ± 2.2^a,b,c	628 ± 38^a,b,c	584 ± 80^b,c
Ethyl dodecanoate^f	A	1838	1.90 ± 0.21	3.32 ± 0.22^a,b	18.5 ± 2.1^a,b,c	50.58 ± 0.18^a,b,c	87 ± 3^a,b,c	77 ± 11^b,c
Ethyl tetradecanoate^h	A	2041	nq	nq	402 ± 54^a,c	812 ± 28^a,c	2077 ± 182^a,c	2074 ± 104^b,c
Ethyl hexadecanoate	A	2250	nq	nq	nq	281 ± 3^a,b	253 ± 23^b,c	287 ± 42^b,c
Total of ethyl esters			10,169	52,538^a,b	161,211^a,b,c	166,612^b,c	176,679^b,c	172,858^b,c
Isoamyl esters
Isoamyl propionate^h	C	1155	nd	nd	197 ± 18^a,c	307 ± 20^a,c	1506 ± 14^a,b,c	1349 ± 61^b,c
Isoamyl hexanoate	A	1450	nd	nd	nd	nd	nd	nd
Isoamyl octanoate	A	1654	nd	nd	1897 ± 204^a,b,c	2246 ± 158^b,c	2443 ± 179^b,c	1620 ± 215^b,c
Isoamyl decanoate	B⁷	1854	nd	nd	1018 ± 126^a,c	1564 ± 53^a,c	1963 ± 27^a,b,c	2057 ± 307^b,c
Total of isoamyl esters			–	–	3112^a,b,c	4117^b,c	5911^a,b,c	5026^b,c
Methyl esters
Methyl hexanoate	A	1151	nd	162.0 ± 0.3^a,b	162.3 ± 1.5^b,c	215 ± 8^a,b,c	nq	nq
Methyl octanoate	A	1371	234 ± 32	477 ± 66^a	428 ± 60^b	285 ± 7^b	nq	nq
Methyl decanoate	A	1581	nd	908 ± 101^a,b	308 ± 40^a,b,c	247.82 ± 0.15^b,c	nq	nq
Methyl salicylate	A	1762	244 ± 14	175 ± 22^b	nq	nq	194 ± 24^a,b	200 ± 27^b
Total of methyl esters			479	1723^a,b	898^a,b,c	748^b,c	194^a,b,c	200^b,c
Others esters
Propyl hexanoate	B⁸	1299	nd	nd	nq	nq	nq	nq
Propyl octanoate	A	1509	nd	nd	nd	nd	nd	nd
Propyl decanoate	B⁹	1712	nd	nd	nd	nd	nd	nd
Isobutyl hexanoate	B⁹	1335	nd	nd	nd	nd	nq	nq
Isobutyl octanoate	A	1542	nd	nd	nd	nd	nd	nd
Isobutyl decanoate	B⁹	1746	nd	nd	nd	203 ± 28^a,c	171 ± 11^b,c	184 ± 15^b,c
Total of other ester			–	–	–	203^a,b,c	171^b,c	184^c
Ketones
2-Pentanone^g	A	939	473 ± 23	262 ± 10^a	nd	nd	nd	nd
3-Penten-2-one^g	C	1094	1242 ± 140	nd	nd	nd	nd	nd
2-Heptanone^g	C	1152	744 ± 14	291 ± 24^a,b	nq	nq	nq	nq
2-Pentylfuran^g	B³	1196	29,133 ± 3173	29,364 ± 439	17,699 ± 2009^a,c	16,158 ± 2314^c	1404 ± 45^a,c	484 ± 14^a,c
3-Octanone^g	B³	1233	1512 ± 143	1740 ± 144	854 ± 102^a,b,c	940 ± 91^b,c	484 ± 8^a,b,c	367 ± 38^b,c
2-Octanone^g	B³	1266	4291 ± 458	1618 ± 223^a,b	492 ± 69^a,b,c	567 ± 25^c	273 ± 17^a,c	250 ± 33^c
trans-2,2-Pentenyl-furan^g	C	1271	1516 ± 134	1378 ± 38	460 ± 55^a,c	637 ± 81^c	nd	nd
Acetoin^f	A	1273	711 ± 88	721 ± 83	1210 ± 10^a,b,c	815 ± 39^a,b	816 ± 12^b	702 ± 25^a
1-Hydroxy-2-propanone	A	1286	2265 ± 296	4120 ± 533	2373 ± 291	2686 ± 76	2310 ± 144	2459 ± 48
2-Hexylfuran^g	C	1303	389 ± 42	394 ± 17^b	274 ± 39	341 ± 30	nq	nq
6-Methyl-5-hepten-2-one^g	A	1319	4095 ± 195	3988 ± 45	2230 ± 283^a,b,c	2326 ± 143^b,c	742 ± 6^a,b,c	464 ± 11^a,b,c
1-Hydroxy-2-butanone	B³	1363	1097 ± 150	1442 ± 155	1096 ± 62	1583 ± 21^a,b,c	1449 ± 104	1467 ± 200
2-Nonanone^h	A	1374	1657 ± 225	1072 ± 151^b	2216 ± 92^a,b	2054 ± 66^b	1535 ± 86^a	1464 ± 84^b
2-Acetilfuran^g	A	1493	881 ± 16	1123 ± 131	721 ± 95	579 ± 70^c	487 ± 32^c	580 ± 54^c
Dihydro-3(2H)-thiophenone^h	C	1515	nd	nd	281 ± 38^a,b,c	268 ± 35^b,c	nd	nd
6-Methyl-3,5-heptadiene-2-one^g	B³	1588	11,941 ± 59	6343 ± 470^a	2377 ± 6^a,b,c	1714 ± 208^a,b,c	454 ± 35^a,b,c	271 ± 14^a,b,c
Acetofenone^h	A	1641	654 ± 77	711 ± 106	490 ± 67	434 ± 45	348 ± 49^b,c	297 ± 41^b,c
1,2-Cyclopentanedione	C	1775	2224 ± 270	3415 ± 260^a	2645 ± 381	2238 ± 107	2029 ± 179	2763 ± 358
Cyclotene^h	B¹⁰	1841	317 ± 47	397 ± 49	352 ± 47	312 ± 20	261 ± 14	403 ± 55^b
Total of ketones			135,497	129,723	155,601^b	114,387^a,b	93,391^a,b,c	81,515^a,c
Lactones
γ-Butyrolactone^g	A	1625	2903 ± 35	2666 ± 252	1752 ± 31^a,c	1603 ± 58^c	1352 ± 10^a,c	1483 ± 70^b,c
γ-Nonalactona^g	B³	2039	1506 ± 217	1966 ± 62^b	1404 ± 209	1404 ± 33	1020 ± 20^a	838 ± 20^a,b,c
Total of lactones			4409	4632	3156^a,c	3007^c	2372^a,c	2321^c
C ₁₃-Norisoprenoids
TDN	A	1727	793 ± 88	740 ± 70	737 ± 22^b	891 ± 17^a	708 ± 42^a,b	439 ± 60^a,b,c
β-Damascenone^g	A	1813	1595 ± 59	1125 ± 115^a	790 ± 27^b,c	863 ± 17^c	562 ± 25^a,c	633 ± 26^c
β-Ionone^g	A	1941	174 ± 22	129 ± 14^b	nq	nq	nd	nd
Total of C₁₃-Norisoprenoids			2562	1994	1527^b,c	1754^a,c	1270^a,b,c	1073^b,c
Terpenes
1R-α-Pinene^g	C	976	1502 ± 210	983 ± 25^b	780 ± 97^b,c	987 ± 131^b	350 ± 35^a,b,c	219 ± 12^a,b,c
Roseoxide^h	C	1119	nd	nd	nd	525 ± 62^a,b,c	916 ± 41^a,b,c	671 ± 16^a,b,c
Myrtenal	C	1123	663 ± 69	620 ± 44	774 ± 76	1075 ± 96^c	568 ± 29^a	252 ± 29^a,c
Limonene	A	1149	426 ± 52	332 ± 22	798 ± 42^a,c	355 ± 7^a	nq	nq
Cymene^g	B¹¹	1237	604 ± 35	491 ± 30	280 ± 40^a,c	298 ± 41^c	nd	nd
trans-Linalool oxide^g	B¹²	1468	219 ± 31	nq	nd	nd	nd	nd
2-Bornene^g	C	1517	846 ± 32	619 ± 67^a	417 ± 33^c	388 ± 50^c	275 ± 9^c	186 ± 21^a,c
Linalool^g	A	1542	439 ± 35	246 ± 12^a	186.6 ± 2.1^a,b,c	181 ± 7^b,c	nq	nq
Citronellol	A	1767	nd	nd	271 ± 33^a,b,c	nd	286 ± 33^a,b,c	296 ± 36^b,c
α-Calacorene^g	B¹³	1901	307 ± 24	nq	nq	nd	nd	nd
Nerolidol	A	2037	nd	nd	nd	nd	nq	nq
n.i. (m/z 69, 93, 121)	–	1743	nd	nd	nd	nd	nd	nd
Total of Terpenes			5005	3291^a	3508^b,c	3809^b,c	2396^a,b,c	1624^a,b,c
Volatile phenols
Guaiacol^g	A	1858	273 ± 31	nq	nq	nq	nq	nq
4-Vinylguaiacol	A	2203	nq	nq	nq	nq	nd	nd
Coumaran^g	C	2406	238 ± 32	194 ± 28	170 ± 21	nq	nq	nq
Total of volatile phenols			511	194^a	170^b	–	–	–
Others compounds
2-Methylpyrazine^g	A	1256	343 ± 46	415 ± 6	283 ± 32^a	255 ± 31	nq	nq
Indole^h	B¹⁴	2436	375 ± 56	455 ± 20^b	714 ± 100	1073 ± 40^a,c	470 ± 21^a,b	205 ± 7^a,b
Unidentified compounds
n.i. (m/z 59, 43)^h	–	1328	nq	nq	320 ± 22^a,b,c	466 ± 5^a,c	804 ± 13^a,c	743 ± 78^c
n.i. (m/z 67, 85, 151)^g	–	1395	1332 ± 97	1076 ± 16	590 ± 85^a,b,c	790 ± 70^b,c	314 ± 9^a,b,c	163 ± 18^a,b,c
n.i. (m/z 55,88, 101)	–	1887	nd	nd	nd	nd	nd	nd
n.i. (m/z 126, 73)^g	–	2106	4188 ± 85	394 ± 49^a,b	nq	382 ± 37^a,c	628 ± 56^a,b,c	403.8 ± 1.3^a,b,c

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 wine produced by Saccharomyces cerevisiae strain

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

^dLiterature reference agreed with experimental LRI data:(1) Weckerle et al. (2001), (2) Miranda-Lopez et al. (1992), (3) National Center for Biotechnology Information (2015), (4) Schnermann and Schieberle (1997), (5) Rychlik et al. (1998), (6) Ferrari et al. (2004), (7) Riu-Aumatell et al. (2006), (8) Girard and Lau (1995), (9) Sun et al. (2013), (10) Natali et al. (2006), (11) Olivera et al. (2007), (12) Losco et al. (2007), (13) Bicchi et al. (2003), (14) Shiratsuchi et al. (1994) (complete reference provided as supplementary material)

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

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

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

^hVariable highly correlated with samples from T48 to T192 Saccharomyces