Notable changed volatile metabolites identified in garlic.

No.	RTa (min)	Compound nameb	Targetted ion (m/z)	MS fragment ion (m/z)	IDc	RId	VIPe	p-Valuef
Organosulfur compounds
1	6.26	Sulfur dioxide	64	16, 32, 48, 64	MS/NIST	870.25	1.743	8.626 × 10−9
2	6.71	Propyl ethynyl sulfoxide	43	27, 39, 43, 74	MS/NIST	895.36	1.480	3.080 × 10−11
3	6.73	Trans-3,5-Diethyl-1,2,4-trithiolane	74	39, 41, 45, 59, 74, 180	MS/NIST	896.20	1.141	7.111 × 10−11
4	8.19	Allyl methyl sulfide	88	39, 41, 45, 61, 73, 88	STD	966.23	0.899	2.683 × 10−6
5	13.51	Diallyl sulfide	45	39, 41, 45, 73, 99, 114	STD	1157.47	1.340	1.307 × 10−8
6	16.73	3,4-Dimethylthiophene	111	39, 45, 97, 111	MS/NIST	1265.61	0.722	3.323 × 10−5
7	17.55	Allyl methyl disulfide	120	39, 41, 45, 73, 79, 88, 120	STD	1291.67	1.426	2.750 × 10−8
8	17.77	Methyl propenyl disulfide	73	41, 45, 72, 73, 87, 120	MS/NIST	1298.29	0.866	9.379 × 10−13
9	23.25	Diallyl disulfide	41	39, 41, 73, 81, 113, 146	STD	1499.91	2.296	7.191 × 10−8
10	23.35	Diallyl tetrasulphide	73	39, 41, 64, 73, 105, 146	MS/NIST	1504.51	1.499	4.115 × 10−14
11	26.01	Allyl methyl trisulfide	73	39, 41, 73, 79, 87, 105, 114, 152	STD	1610.54	1.199	1.576 × 10−25
12	29.56	3-Vinyl-1,2-dithiacyclohex-4-ene	111	45, 71, 77, 97, 103, 111, 144	MS/NIST	1764.77	1.927	4.445 × 10−4
13	30.65	Diallyl trisulfide	113	39, 41, 45, 73, 113, 178	STD	1813.52	1.728	8.430 × 10−12
14	44.60	1,3-Dithiole-2-thione	58	32, 44, 58, 76, 90, 134, 136	MS/NIST	2550.76	0.712	1.193 × 10−11
Non-organosulfur compounds
15	3.92	Propene	41	41, 42, 40, 39, 27, 15	MS/NIST	∼	1.531	1.823 × 10−4
16	4.61	Acetaldehyde	29	15, 29, 43, 44	MS/NIST	719.62	0.919	4.204 × 10−12
17	21.98	Acetic acid	43	15, 43, 45, 60	STD	1461.68	2.268	3.438 × 10−12
18	24.47	(Z)-Benzaldoxime	103	39, 51, 76, 103, 121	MS/NIST	1550.37	1.414	9.463 × 10−17
19	26.45	Butanoic acid	60	27, 41, 43, 60, 73, 88	STD	1630.30	0.812	6.644 × 10−17
20	27.71	Benzoic acid, ethyl ester	105	51, 77, 105, 122, 150	MS/NIST	1682.85	0.791	1.755 × 10−3

^aRT is retention time.

^bCompounds were selected by VIP > 0.7 and p-value < 0.05.

^cIdentification: STD, standard compound; MS/NIST, comparing mass fragment pattern within house library and NIST.

^dRI is retention indices calculated with n-alkanes.

^eVIP (variable importance in the projection) values were determined by PLS-DA.

^f p-Values were analyzed by ANOVA with Duncan's test.