. 2022 May 16;9:881865. doi: 10.3389/fnut.2022.881865

TABLE 4.

Volatile compounds in jade (BT0), medium-baked (BT1), and deep-baked (BT2) Tieguanyin oolong teas determined by GC-MS.

Retention time	CAS number	Molecular formula	Molecular weight	Name	Relative abundance%			Aroma properties
					BT0	BT1	BT2
1.642	75-18-3	C₂H₆S	62	Dimethyl sulfide	0.342 ± 0.056^a	0.292 ± 0.051^a	<LOQ ^b	Sulfury
1.732	79-20-9	C₃H₆O₂	74	Methyl acetate	<LOQ ^b	<LOQ ^b	0.526 ± 0.170^a	Sweet fruity
1.741	1191-16-8	C₇H₁₂O₂	128	Prenyl acetate	<LOQ ^b	0.440 ± 0.006^a	<LOQ ^b	Sweet banana, fruity
1.800	78-84-2	C₄H₈O	72	Isobutyraldehyde	<LOQ ^b	0.069 ± 0.008^a	0.073 ± 0.009^a	Malty, aldehydic
2.023	111-30-8	C₅H₈O₂	100	Glutaraldehyde	0.060 ± 0.009^b	0.089 ± 0.010^a	0.105 ± 0.007^a	Pungent
2.077	534-22-5	C₅H₆O	82	2-Methylfuran	0.080 ± 0.012^b	0.083 ± 0.010^b	0.147 ± 0.027^a	Ethereal, acetone, chocolate
2.329	NIST#: 194652	C₇H₁₀O₂	126	3-Methyl-4-propenyl-oxetan-2-one	0.052 ± 0.004^a	0.050 ± 0.007^a	0.054 ± 0.003^a	/
2.376	926-54-5	C₆H₁₀	82	Trans-2-methyl-1,3-pentadiene	0.089 ± 0.006^a	0.068 ± 0.002^b	<LOQ ^c	/
2.445	96-38-8	C₆H₈	80	5-Methyl-1,3-cyclopentadiene	<LOQ ^b	<LOQ ^b	0.032 ± 0.005^a	/
2.479	590-86-3	C₅H₁₀O	86	3-Methylbutanal	0.074 ± 0.021^a	0.044 ± 0.005^b	0.055 ± 0.007^ab	Fruity, pungent, nutty, cocoa
2.582	96-17-3	C₅H₁₀O	86	2-Methylbutanal	0.179 ± 0.031^a	0.135 ± 0.018^a	0.225 ± 0.025^a	Musty, cocoa, coffee, nutty
2.816	96-41-3	C₅H₁₀O	86	Cyclopentanol	<LOQ ^b	<LOQ ^b	0.075 ± 0.024^a	Musty, aromatic
2.888	1629-58-9	C₅H₈O	84	1-Penten-3-one	0.238 ± 0.027^a	0.252 ± 0.047^a	0.167 ± 0.025^b	Pungent, peppery, garlic
3.073	589-91-3	C₇H₁₄O	114	4-Methylcyclohexanol	0.576 ± 0.075^a	0.487 ± 0.021^a	0.375 ± 0.027^b	Aromatic
3.182	50521-50-1	C₆H₁₀O₂	114	1,4-Butanediol, 2,3-bis(methylene)-	<LOQ ^b	<LOQ ^b	0.041 ± 0.002^a	/
3.415	30316-00-8	C₇H₁₁N	109	2-Methyl-5-hexenenitrile	0.038 ± 0.007^ab	0.059 ± 0.013^a	0.035 ± 0.007^b	/
3.480	1943-79-9	C₈H₉NO₂	151	Methylcarbamic acid phenyl ester	<LOQ ^b	<LOQ ^b	0.071 ± 0.011^a	/
3.633	625-28-5	C₅H₉N	83	Isovaleronitrile	0.035 ± 0.008^c	0.060 ± 0.007^b	0.130 ± 0.009^a	/
3.761	96-54-8	C₅H₇N	81	1-Methyl-pyrrole	<LOQ ^c	0.026 ± 0.001^b	0.046 ± 0.004^a	Smoky, woody
3.883	497-03-0	C₅H₈O	84	(E)-2-Methyl-2-butenal	<LOQ ^b	0.054 ± 0.010^a	0.060 ± 0.009^a	Strong green
4.022	21856-89-3	C₆H₁₂O₂	116	6-Hydroxyhexan-2-one	<LOQ ^b	<LOQ ^b	0.077 ± 0.013^a	/
4.075	55230-25-6	C₆H₁₀O	98	2-Methyl-5,6-dihydro-2H-pyran	<LOQ ^c	0.069 ± 0.006^b	0.108 ± 0.015^a	/
4.168	89182-08-1	C₅H₈O	84	Cyclobut-1-enylmethanol	0.368 ± 0.057^a	0.359 ± 0.012^a	0.413 ± 0.053^a	/
4.420	108-88-3	C₇H₈	92	Toluene	0.154 ± 0.030^c	0.278 ± 0.035^b	0.695 ± 0.119^a	Sweet
4.837	4054-38-0	C₇H₁₀	94	1,3-Cycloheptadiene	0.073 ± 0.003^a	0.063 ± 0.002^b	0.060 ± 0.012^ab	/
5.302	141-79-7	C₆H₁₀O	98	Mesityl oxide	<LOQ ^b	0.132 ± 0.029^a	<LOQ ^b	Honeylike
5.381	66-25-1	C₆H₁₂O	100	Hexanal	2.563 ± 0.419^a	2.111 ± 0.326^a	1.502 ± 0.204^b	Fresh green
5.689	617-92-5	C₆H₉N	95	1-Ethyl pyrrole	0.573 ± 0.103^b	1.529 ± 0.197^a	1.707 ± 0.188^a	Burnt
6.433	98-01-1	C₅H₄O₂	96	Furfural	0.434 ± 0.068^c	2.102 ± 0.280^b	5.295 ± 0.368^a	Sweet, woody, baked bread
7.330	6728-26-3	C₆H₁₀O	98	(E)-2-Hexenal	0.402 ± 0.059^a	0.400 ± 0.061^a	0.253 ± 0.010^b	Green banana, fatty
7.962	106-42-3	C₈H₁₀	106	p-Xylene	0.084 ± 0.018^c	0.191 ± 0.006^b	1.162 ± 0.120^a	Aromatic
8.970	110-43-0	C₇H₁₄O	114	2-Heptanone	0.271 ± 0.027^b	0.332 ± 0.052^ab	0.379 ± 0.054^a	Fruity
9.467	6728-31-0	C₇H₁₂O	112	(Z)-4-Heptenal	0.181 ± 0.032^a	0.191 ± 0.034^a	0.173 ± 0.015^a	Green, creamy
9.607	111-71-7	C₇H₁₄O	114	Heptanal	0.404 ± 0.019^a	0.282 ± 0.035^b	0.255 ± 0.031^b	Green, fatty
9.706	2199-41-9	C₇H₁₁N	109	2,3,5-Trimethyl-1H-pyrrole	<LOQ ^c	0.201 ± 0.046^b	0.286 ± 0.023^a	/
9.895	1192-62-7	C₆H₆O₂	110	2-Acetyl furan	<LOQ ^c	0.124 ± 0.016^b	0.262 ± 0.013^a	Caramel, sweet
10.086	1558-17-4	C₆H₈N₂	108	4,6-dimethyl-pyrimidine	<LOQ ^c	0.199 ± 0.032^b	0.301 ± 0.025^a	/
10.309	56342-53-1	C₆H₈N₂	108	1-Methyl-3-vinyl-1H-pyrazole	<LOQ ^b	0.140 ± 0.018^a	0.179 ± 0.024^a	/
10.511	930-87-0	C₇H₁₁N	109	1,2,5-Trimethylpyrrole	<LOQ ^c	0.132 ± 0.023^b	0.165 ± 0.002^a	/
10.834	106-70-7	C₇H₁₄O₂	130	Methyl hexanoate	0.111 ± 0.016^a	0.111 ± 0.006^a	0.126 ± 0.008^a	Fruity
11.197	2396-78-3	C₇H₁₂O₂	128	Methyl 3-hexenoate	<LOQ ^c	0.074 ± 0.013^b	0.165 ± 0.006^a	Earthy, sweet, slightly fruity
11.860	589-33-3	C₈H₁₃N	123	1-Butylpyrrole	<LOQ ^b	<LOQ ^b	0.034 ± 0.010^a	/
12.746	100-52-7	C₇H₆O	106	Benzaldehyde	2.992 ± 0.322^b	3.651 ± 0.060^a	3.844 ± 0.165^a	Bitter almond, cherry
13.614	611-13-2	C₆H₆O₃	126	Methyl 2-furoate	<LOQ ^b	<LOQ ^b	0.272 ± 0.038^a	Caramel
14.389	110-93-0	C₈H₁₄O	126	6-Methyl-5-hepten-2-one	2.451 ± 0.453^a	2.131 ± 0.369^a	2.006 ± 0.054^a	Green, lemongrass, citrus
14.692	3777-69-3	C₉H₁₄O	138	2-Pentyl-furan	0.747 ± 0.310^a	0.627 ± 0.061^a	<LOQ ^b	Green, beany
14.697	80255-20-5	C₉H₁₃NO₂	167	1-(2-Nitro-2-propenyl)-cyclohexene	<LOQ ^b	<LOQ ^b	0.937 ± 0.064^a	/
15.071	4313-03-5	C₇H₁₀O	110	(E,E)-2,4-Heptadienal	6.334 ± 0.175^c	9.387 ± 0.823^b	11.103 ± 0.022^a	Fatty, green
15.573	124-13-0	C₈H₁₆O	128	Octanal	0.494 ± 0.081^a	0.446 ± 0.045^a	<LOQ ^b	Citrus
15.581	513-23-5	C₁₀H₁₈O	154	Isothujol	<LOQ ^b	<LOQ ^b	0.573 ± 0.090^a	/
16.770	527-84-4	C₁₀H₁₄	134	o-Cymene	0.666 ± 0.068^ab	0.543 ± 0.087^b	0.768 ± 0.071^a	Citrus
17.072	5989-27-5	C₁₀H₁₆	136	D-Limonene	3.924 ± 0.331^a	3.333 ± 0.396^ab	2.907 ± 0.500^b	Lemon, citrus
17.386	2408-37-9	C₉H₁₆O	140	2,2,6-Trimethyl-cyclohexanone	0.169 ± 0.020^ab	0.141 ± 0.023^b	0.185 ± 0.008^a	Pungent, citrus
17.759	3338-55-4	C₁₀H₁₆	136	(Z)-β-Ocimene	<LOQ ^b	<LOQ ^b	0.290 ± 0.019^a	Warm floral, sweet
17.963	122-78-1	C₈H₈O	120	Benzeneacetaldehyde	5.576 ± 0.401^a	3.804 ± 0.345^b	1.700 ± 0.068^c	Hyacinth, sweet floral
18.216	1877-77-6	C₇H₉NO	123	3-Amino-benzenemethanol	<LOQ ^c	2.851 ± 0.056^b	4.065 ± 0.121^a	/
18.248	264628-15-1	C₉H₁₂	120	5-Methylenecycloocta-1,3-diene	1.549 ± 0.034^a	<LOQ ^b	< LOQ^b	/
18.418	5794-03-6	C₁₀H₁₆	136	(+)-Camphene	<LOQ ^b	0.788 ± 0.124^a	0.796 ± 0.029^a	Camphor, fresh herbal
18.423	7785-70-8	C₁₀H₁₆	136	D-(+)-α-Pinene	1.095 ± 0.043^a	<LOQ ^b	<LOQ ^b	Harsh, terpene, aromatic
18.914	14296-81-2	C₉H₁₂	120	Cyclohexane, 1,2,4-tris(methylene)-	0.400 ± 0.031^a	0.462 ± 0.183^a	0.392 ± 0.032^a	/
19.162	2548-87-0	C₈H₁₄O	126	(E)-2-Octenal	0.480 ± 0.061^b	0.644 ± 0.100^b	0.740 ± 0.017^a	Fatty, fresh cucumber
19.363	41898-89-9	C₉H₁₂	120	2,4-Dimethyl-2,3-heptadien-5-yne	<LOQ ^c	0.299 ± 0.044^b	0.450 ± 0.051^a	/
19.932	30086-02-3	C₈H₁₂O	124	(E,E)-3,5-Octadien-2-one	1.783 ± 0.108^c	2.188 ± 0.078^b	2.418 ± 0.136^a	Fruity, green, grassy
20.280	NIST#: 129149	C₈H₁₂N₂	136	Imidazole, 4-methyl-5-[2-methyl-2-propenyl]-	<LOQ ^b	<LOQ ^b	0.385 ± 0.032^a	/
20.878	514-95-4	C₁₀H₁₆	136	1,5,5-Trimethyl-6-methylene-cyclohexene	<LOQ ^b	<LOQ ^b	0.389 ± 0.030^a	/
20.879	NIST#: 274055	C₁₄H₂₀O₃	236	Acetic acid, 2-(7-methylenebicyclo[3.3.1] oct-2-enyloxy)ethyl ester	0.240 ± 0.046^a	0.297 ± 0.053^a	<LOQ ^b	/
21.049	5989-33-3	C₁₀H₁₈O₂	170	(Z)-Linalool oxide (furanoid)	0.141 ± 0.028^c	0.205 ± 0.036^b	0.272 ± 0.014^a	Earthy, floral sweet, woody
21.180	1195-32-0	C₁₀H₁₂	132	1-Methyl-4-(1-methylethenyl)-benzene	<LOQ ^b	<LOQ ^b	0.220 ± 0.030^a	Phenolic, spicy, guaiacol
21.623	56846-98-1	C₁₉H₃₀O₂	290	13,16-Octadecadiynoic acid, methyl ester	<LOQ ^b	<LOQ ^b	0.414 ± 0.048^a	/
21.631	28638-29-1	C₉H₁₈O	142	2,3,4-Trimethyl-5-hexen-3-ol	0.247 ± 0.033^b	0.379 ± 0.055^a	<LOQ ^c	/
22.079	78-70-6	C₁₀H₁₈O	154	Linalool	1.535 ± 0.216^a	1.130 ± 0.141^b	0.762 ± 0.037^c	Floral, sweet, citrus
22.267	29957-43-5	C₁₀H₁₆O	152	Dehydrolinalool	3.362 ± 0.294^b	5.533 ± 0.532^a	2.762 ± 0.171^c	/
22.420	124-19-6	C₉H₁₈O	142	Non-anal	0.728 ± 0.004^a	0.623 ± 0.116^ab	0.526 ± 0.041^b	Rose, orange, waxy
22.604	50868-73-0	C₈H₁₁NO	137	2-Methoxy-6-methylaniline	<LOQ ^c	0.740 ± 0.098^b	1.182 ± 0.181^a	/
23.028	19945-61-0	C₁₁H₁₈	150	(E)-4, 8-Dimethyl-1,3,7-non-atriene	1.735 ± 0.097^a	1.132 ± 0.188^b	0.796 ± 0.044^c	/
24.016	1079-01-2	C₁₂H₁₈O₂	194	Myrtenyl acetate	0.241 ± 0.011^a	<LOQ ^b	<LOQ ^b	Herbal, fresh
24.417	140-29-4	C₈H₇N	117	Phenyl acetonitrile	4.060 ± 0.188^c	5.946 ± 0.449^b	7.726 ± 0.456^a	Aromatic
24.867	3682-17-5	C₉H₉NO₃	179	α-(Hydroxyimino)-benzenepropanoic acid	0.726 ± 0.115^b	0.592 ± 0.012^b	1.217 ± 0.109^a	/
25.993	73476-31-0	C₈H₁₁NO₂	153	Methyl 1,5-dimethyl-2-pyrrolecarboxylate	<LOQ ^b	<LOQ ^b	0.218 ± 0.011^a	/
26.377	91253-94-0	C₁₁H₁₈O	166	2-Naphthol, 1,2,3,4,4a,5,6,7-octahydro-4a-methyl-	<LOQ ^b	<LOQ ^b	0.253 ± 0.003^a	/
27.364	22767-95-9	C₁₂H₁₆O₂	192	Benzenepropanoic acid 1-methylethyl ester	<LOQ ^b	<LOQ ^b	0.350 ± 0.044^a	/
27.492	1438-94-4	C₉H₉NO	147	1-Furfuryl pyrrole	<LOQ ^b	<LOQ ^b	1.072 ± 0.089^a	Plastic, waxy, coffee
28.439	119-36-8	C₈H₈O₃	152	Methyl salicylate	1.322 ± 0.074^b	1.395 ± 0.292^b	2.418 ± 0.136^a	Wintergreen mint
28.990	99172-18-6	C₁₀H₁₄O	150	2-Ethylidene-6-methyl-3,5-heptadienal	0.408 ± 0.085^a	0.367 ± 0.052^a	0.413 ± 0.045^a	/
30.424	432-25-7	C₁₀H₁₆O	152	β-Cyclocitral	0.670 ± 0.038^a	0.583 ± 0.044^b	0.625 ± 0.021^ab	Tropical, saffron, herbal
31.709	35154-45-1	C₁₁H₂₀O₂	184	cis-3-Hexenyl isovalerate	0.399 ± 0.052^a	0.199 ± 0.029^b	0.228 ± 0.018^b	Fresh green apple
31.905	4677-90-1	C₁₄H₂₀O	204	Mayurone	<LOQ ^b	<LOQ ^b	0.066 ± 0.009^a	/
32.111	10032-15-2	C₁₁H₂₂O₂	186	Butanoic acid, 2- methyl-, hexyl ester	0.187 ± 0.016^a	0.077 ± 0.024^b	0.114 ± 0.018^b	Green, spicy
32.931	472-66-2	C₁₁H₁₈O	166	β-Homocyclocitral	0.077 ± 0.009^a	<LOQ ^b	<LOQ ^b	Cooling woody, camphor
33.134	6290-37-5	C₁₄H₂₀O₂	220	Phenethyl hexanoate	0.199 ± 0.019^c	0.279 ± 0.049^b	0.416 ± 0.009^a	Sweet, honey, floral
34.462	NIST#: 196695	C₁₃H₂₀O	192	1H-2-Indenone,2,4,5,6,7,7a-hexahydro-3-(1-methylethyl)-7a-methyl	<LOQ ^b	<LOQ ^b	0.406 ± 0.041^a	/
35.280	120-72-9	C₈H₇N	117	Indole	14.935 ± 1.281^a	11.255 ± 0.990^b	6.260 ± 1.066^c	Floral
35.739	6125-24-2	C₈H₉NO₂	151	2-Nitroethyl-benzene	3.588 ± 0.199^a	3.483 ± 0.130^a	<LOQ ^b	Floral, spicy
35.761	700-88-9	C₁₁H₁₄	146	Cyclopentylbenzene	<LOQ ^b	<LOQ ^b	2.508 ± 0.104^a	/
36.624	35845-67-1	C₁₃H₁₈O	190	3,6-Nonadien-5-one, 2,2,8,8-tetramethyl-	<LOQ ^b	<LOQ ^b	0.510 ± 0.030^a	/
38.889	30364-38-6	C₁₃H₁₆	172	Dehydro-ar-ionene	0.092 ± 0.003^c	0.176 ± 0.024^b	0.567 ± 0.041^a	Licorice
39.037	475-03-6	C₁₃H₁₈	174	α-Ionene	0.066 ± 0.001^b	0.067 ± 0.004^b	0.129 ± 0.007^a	Grassy
40.805	63435-25-6	C₁₃H₁₈	174	Benzene, 2-(2-butenyl)-1,3,5-trimethyl-	<LOQ ^b	<LOQ ^b	0.096 ± 0.003^a	/
40.963	31501-11-8	C₁₂H₂₂O₂	198	(Z)-3-Hexen-1-yl hexanoate	1.970 ± 0.077^a	1.461 ± 0.185^b	1.215 ± 0.056^b	Fruity, green
41.308	6378-65-0	C₁₂H₂₄O₂	200	Hexyl hexanoate	0.837 ± 0.035^a	0.681 ± 0.046^b	0.447 ± 0.032^c	Fresh cut grass
41.470	488-10-8	C₁₁H₁₆O	164	Jasmone	0.805 ± 0.047^a	0.917 ± 0.093^a	0.543 ± 0.088^b	Floral, jasmine, woody, herbal
42.615	87-44-5	C₁₅H₂₄	204	Caryophyllene	0.100 ± 0.007^a	0.091 ± 0.014^a	<LOQ ^b	Woody, spicy, clove
42.968	6901-97-9	C₁₃H₂₀O	192	α-Ionone	0.167 ± 0.019^b	0.195 ± 0.013^ab	0.214 ± 0.016^a	Floral
43.225	NIST#: 187519	C₁₃H₁₈O	190	4-(2,4,4-Trimethyl-cyclohexa-1,5-dienyl)-but-3-en-2-one	0.113 ± 0.010^b	0.306 ± 0.038^a	0.339 ± 0.009^a	/
43.968	103-52-6	C₁₂H₁₆O₂	192	β-Phenylethyl butyrate	0.352 ± 0.038^a	0.362 ± 0.047^a	0.338 ± 0.047^a	Sweet floral
44.550	3879-26-3	C₁₃H₂₂O	194	Neryl acetone	0.276 ± 0.031^a	0.242 ± 0.042^a	0.302 ± 0.029^a	Fatty, metallic
44.808	18794-84-8	C₁₅H₂₄	204	(E)-β-Famesene	0.774 ± 0.138^a	0.674 ± 0.082^a	0.781 ± 0.132^a	Woody
45.148	4602-84-0	C₁₅H₂₆O	222	Farnesol	<LOQ ^b	<LOQ ^b	0.135 ± 0.020^a	Mild fresh sweet
45.938	14901-07-6	C₁₃H₂₀O	192	β-Ionone	0.719 ± 0.072^a	0.818 ± 0.099^a	0.519 ± 0.020^b	Floral, woody
46.093	81968-62-9	C₁₅H₂₄O	220	(1R,7S,E)-7-Isopropyl-4,10-dimethylenecyclodec-5-enol	0.731 ± 0.111^a	<LOQ ^b	0.667 ± 0.025^a	/
46.310	7460-74-4	C₁₃H₁₈O₂	206	2-Phenylethyl valerate	0.540 ± 0.062^a	0.427 ± 0.077^ab	0.392 ± 0.036^b	Fruity, rose
46.784	13474-59-4	C₁₅H₂₄	204	trans-α-Bergamotene	0.553 ± 0.003^a	0.402 ± 0.144^ab	0.316 ± 0.032^b	Woody, warm, tea
47.000	6892-80-4	C₁₅H₂₆O	222	Widdrol	<LOQ ^b	<LOQ ^b	0.300 ± 0.060^a	/
47.173	25524-95-2	C₁₀H₁₆O₂	168	(Z)-7-Decen-5-olide	0.664 ± 0.082^a	<LOQ ^b	< LOQ^b	Creamy, jasmine
47.443	502-61-4	C₁₅H₂₄	204	α-Farnesene	3.635 ± 0.287^a	2.630 ± 0.222^b	2.112 ± 0.097^c	Herbal, citrus
50.173	40716-66-3	C₁₅H₂₆O	222	(E)-Nerolidol	16.85 ± 1.533^a	13.879 ± 1.656^a	7.859 ± 0.679^b	Floral

The same letter within each row indicates no significant difference (P > 0.05). LOQ is short for the limit of quantification.