TABLE 1.

Information of identified volatile compounds during NF and IF process

Count	Compound	CAS#	Formula	MW	RI	Rt (s)	Dt (RIPrel)	Comment	Identification
1	Hexyl hexanoate	C6378650	C12H24O2	200.3	1,558.7	1,170.184	1.5963		RI,Dt
2	Ethyl nonanoate	C123295	C11H22O2	186.3	1,374.8	892.49	1.5408		RI,Dt
3	Isoamyl hexanoate	C2198610	C11H22O2	186.3	1,260.8	720.352	1.5153	Monomer	RI,Dt
4	Isoamyl hexanoate	C2198610	C11H22O2	186.3	1,257.5	715.481	2.1399	Dimer	RI,Dt
5	Methyl salicylate	C119368	C8H8O3	152.1	1,220.3	659.302	1.2006		RI,Dt
6	Ethyl octanoate	C106321	C10H20O2	172.3	1,185.2	606.274	1.4812		RI,Dt
7	Methyl octanoate	C111115	C9H18O2	158.2	1,124.9	515.216	1.468	Monomer	RI,Dt
8	Methyl octanoate	C111115	C9H18O2	158.2	1,124.5	514.614	2.0618	Dimer	RI,Dt
9	Nonanal	C124196	C9H18O	142.2	1,108.9	491.123	1.4867	Monomer	RI,Dt
10	Nonanal	C124196	C9H18O	142.2	1,108.5	490.521	1.9397	Dimer	RI,Dt
11	Methyl benzoate	C93583	C8H8O2	136.1	1,092.5	466.428	1.2237		RI,Dt
12	Phenylacetaldehyde	C122781	C8H8O	120.2	1,043.3	394.148	1.2576	Monomer	RI,Dt
13	Phenylacetaldehyde	C122781	C8H8O	120.2	1,042.9	393.546	1.5376	Dimer	RI,Dt
14	E‐E‐2‐4‐Heptadienal	C4313035	C7H10O	110.2	1,016.8	358.741	1.196		RI,Dt
15	Octanal	C124130	C8H16O	128.2	1,008.3	348.385	1.4139		RI,Dt
16	E‐Z‐2‐4‐Heptadienal	C4313024	C7H10O	110.2	1,002.6	341.766	1.2064		RI,Dt
17	6‐Methyl‐5‐hepten‐2‐one	C110930	C8H14O	126.2	995.3	333.382	1.1743		RI,Dt
18	Benzaldehyde	C100527	C7H6O	106.1	965.2	303.377	1.1489	Monomer	RI,Dt
19	Benzaldehyde	C100527	C7H6O	106.1	964.7	302.936	1.4701	Dimer	RI,Dt
20	2‐Pentylfuran	C3777693	C9H14O	138.2	994.0	332.058	1.2533		RI,Dt
21	1‐Octen‐3‐ol	C3391864	C8H16O	128.2	987.5	324.998	1.1569		RI,Dt
22	Gamma‐butyrolactone	C96480	C4H6O2	86.1	927.0	272.937	1.0809	Monomer	RI,Dt
23	Gamma‐butyrolactone	C96480	C4H6O2	86.1	924.0	270.819	1.2971	Dimer	RI,Dt
24	Methional	C3268493	C4H8OS	104.2	909.5	261.135	1.0882	Monomer	RI,Dt
25	Methional	C3268493	C4H8OS	104.2	910.5	261.74	1.4003	Dimer	RI,Dt
26	2‐6‐Dimethylpyrazine	C108509	C6H8N2	108.1	904.4	257.806	1.5315		RI,Dt
27	Cyclohexanone	C108941	C6H10O	98.1	887.1	247.358	1.1514		RI,Dt
28	1‐Hexanol	C111273	C6H14O	102.2	876.0	241.002	1.3241		RI,Dt
29	2‐Acetylfuran	C1192627	C6H6O2	110.1	932.1	276.569	1.4392		RI,Dt
30	E‐2‐Hexenol	C928950	C6H12O	100.2	852.7	228.451	1.1793	Monomer	RI,Dt
31	E‐2‐Hexenol	C928950	C6H12O	100.2	855.0	229.661	1.5157	Dimer	RI,Dt
32	Dimethyl disulfide	C624920	C2H6S2	94.2	743.1	178.214	0.9837		RI,Dt
33	Furfurol	C98011	C5H4O2	96.1	831.3	217.693	1.0831		RI,Dt
34	Hexanal	C66251	C6H12O	100.2	796.8	201.459	1.5618	Dimer	RI,Dt
35	Hexanal	C66251	C6H12O	100.2	797.2	201.665	1.2638	Monomer	RI,Dt
36	3‐Methylpentanol	C589355	C6H14O	102.2	833.4	218.721	1.5706		RI,Dt
37	1‐Pentanol	C71410	C5H12O	88.1	770.0	189.54	1.2531		RI,Dt
38	2‐Methylbutanol	C137326	C5H12O	88.1	754.2	182.759	1.4661		RI,Dt
39	Acetoin	C513860	C4H8O2	88.1	722.3	170.019	1.3273		RI,Dt
40	2‐Ethylfuran	C3208160	C6H8O	96.1	699.3	161.799	1.3107		RI,Dt
41	1‐Butanol	C71363	C4H10O	74.1	671.5	153.168	1.3781		RI,Dt
42	3‐Methylbutanal	C590863	C5H10O	86.1	653.7	148.27	1.4073		RI,Dt
43	2‐Methylpropanol	C78831	C4H10O	74.1	642.2	145.31	1.3662		RI,Dt
44	Ethyl acetate	C141786	C4H8O2	88.1	637.6	144.153	1.3364		RI,Dt
45	Butanal	C123728	C4H8O	72.1	594.7	133.973	1.283		RI,Dt
46	Acetone	C67641	C3H6O	58.1	524.9	117.893	1.1158		RI,Dt
47	Linalool	C78706	C10H18O	154.3	1,103.6	483.186	1.218		RI,Dt
48	2‐Methylpropionic acid	C79312	C4H8O2	88.1	798.3	202.172	1.363		RI,Dt
49	3‐Methylbutanol	C123513	C5H12O	88.1	744.5	178.74	1.3325		RI,Dt
50	2‐Methylbutanoic acid	C116530	C5H10O2	102.1	843.4	223.707	1.4662		RI,Dt
51	2‐Methylbutanal	C96173	C5H10O	86.1	675.7	154.407	1.4087		RI,Dt
52	Ethanol	C64175	C2H6O	46.1	458.1	102.494	1.0455	Monomer	RI,Dt
53	Ethanol	C64175	C2H6O	46.1	461.2	103.211	1.1372	Dimer	RI,Dt

The ordinal numbers in Table 1 corresponded to those in Figure 3.

Abbreviations: Dt: drift time; IF: inoculated fermentation; MW: molecular mass; NF: natural fermentation; RI: retention index; Rt: retention time.