Research on the Dynamic Change of Tea Quality-related Chemical Compositions During‘Danxia 2’Black Tea Processing

doi:10.16420/j.issn.0513-353x.2023-0019

Acta Horticulturae Sinica ›› 2024, Vol. 51 ›› Issue (1): 145-161.doi: 10.16420/j.issn.0513-353x.2023-0019

• Cultivation·Physiology & Biochemistry • Previous Articles Next Articles

Research on the Dynamic Change of Tea Quality-related Chemical Compositions During‘Danxia 2’Black Tea Processing

XU Xuhua¹, HUANG Wenjie¹, CHEN Xufeng¹, CHEN Yuanyuan¹, WU Shaowen¹, LI Hongjian², YAN Shijuan¹^,^*()

¹ Guangdong Key Laboratory for Crop Germplasm Resources Preservation and Utilization，Agro-biological Gene Research Center，Guangdong Academy of Agricultural Sciences，Guangzhou 510640，China
² Guangdong Key Laboratory of Tea Plant Resources Innovation and Utilization，Tea Research Institute，GuangdongAcademy of Agricultural Sciences，Guangzhou 510640，China

Received:2023-01-09 Revised:2023-03-06 Online:2024-01-25 Published:2024-01-16
Contact: * （E-mail：shijuan@agrogene.ac.cn）

Abstract

Abstract:

To explore the dynamic changes of secondary metabolites in five processing stages (fresh leaf plucking，withering，rolling，fermentation and drying) of‘Danxia 2’black tea and the impact of those metabolites on the formation of black tea quality，liquid chromatography coupled with a hybrid quadrupole linear ion trap orbitrap mass spectrometry（LC-Q-LIT-OT-MS）-based metabolomic study is performed. In‘Danxia 2’tea leaves，124 metabolites were identified，including 22 catechins，19 catechin polymers， 32 flavone and flavone glycosides. Multivariate statistical analysis of metabonomic data showed that during the black tea processing of‘Danxia 2’，there were 162，412，308，and 126 metabolites significantly changed from fresh leaves plucking to withering，withering to rolling，rolling to fermentation，and fermentation to drying，respectively. The type and content of metabolites of black tea quality characteristic components changed most significantly during rolling and fermentation. The content of catechins showed a downward trend as a whole. The relative contents of catechin polymers increased dramatically at the rolling period，and then decreased gradually during the fermentation and drying process. The content of flavone and flavone glycosides showed an increasing trend，mainly peaked at the rolling or fermentation stage. The contents of catechins，catechin polymers，flavone and their glycosides showed positive correlation with the contents of aspartic acid，glutamine，phenylalanine and soluble sugar.

Key words: black tea, processing, LC-Q-LIT-OT-MS, metabolomics

XU Xuhua, HUANG Wenjie, CHEN Xufeng, CHEN Yuanyuan, WU Shaowen, LI Hongjian, YAN Shijuan. Research on the Dynamic Change of Tea Quality-related Chemical Compositions During‘Danxia 2’Black Tea Processing[J]. Acta Horticulturae Sinica, 2024, 51(1): 145-161.

Figures/Tables 7

References 38

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保留时间/ min Retention time	代谢物 Metabolite	实测质荷比/ （m/z） Accurate mass	理论质荷比/（m/z） Theoretical mass	分子式 Formula	检测模式 Detection mode
儿茶素类 Catechins（22）
5.423	儿茶素 Catechin	289.0717	289.0718	C₁₅H₁₄O₆	ESI-
6.050/6.050	表儿茶素 Epicatechin	291.0857/289.0719	291.0863/289.0718	C₁₅H₁₄O₆	ESI+/ESI-
4.605	没食子儿茶素 Gallocatechin	305.0666	305.0667	C₁₅H₁₄O₇	ESI-
12.645	儿茶素3-O-没食子酸酯 Catechin 3-O-gallate	441.0828	441.0827	C₂₂H₁₈O₁₀	ESI-
5.265/5.265	表儿茶素3-O-没食子酸酯 Epicatechin 3-O-gallate	443.0966/441.0826	443.0973/441.0827	C₂₂H₁₈O₁₀	ESI+/ESI-
2.688	表没食子儿茶素 Epigallocatechin	305.0666	305.0667	C₁₅H₁₄O₇	ESI-
4.289	表没食子儿茶素没食子酸酯 Epigallocatechin gallate	457.0776	457.0776	C₂₂H₁₈O₁₁	ESI-
7.640/7.640	没食子儿茶素3-O-没食子酸酯 Gallocatechin 3-O-gallate	459.0914/457.078	459.0922/457.0776	C₂₂H₁₈O₁₁	ESI+/ESI-
4.933/4.933	表阿福豆素3-O-没食子酸酯 Epiafzelechin 3-O-gallate	427.1017/425.0878	427.1024/425.0878	C₂₂H₁₈O₉	ESI+/ESI-
6.278	表没食子儿茶素3,5-双没食子酸酯Epigallocatechin 3,5-digallate	609.0885	609.0886	C₂₉H₂₂O₁₅	ESI-
8.47/8.48	表儿茶素3-O-对羟基苯甲酸酯 Epicatechin 3-O-p-hydroxybenzoate	411.1075/409.0931	411.1074/409.0929	C₂₂H₁₈O₈	ESI+/ESI-
9.380	表没食子儿茶素3-O-对香豆素 Epigallocatechin 3-O-p-coumarate	451.1034	451.1035	C₂₄H₂₀O₉	ESI-
9.500	表儿茶素3-O-(3-O-甲基)没食子酸酯 Epicatechin 3-O-(3-O-methyl)gallate	457.1129	457.1129	C₂₃H₂₀O₁₀	ESI+
6.253/6.258	表阿福豆素 Epiafzelechin	275.0896/273.0768	275.0914/273.0768	C₁₅H₁₄O₅	ESI+/ESI-
11.940	表没食子儿茶素3-O-肉桂酸酯 Epigallocatechin 3-O-cinnamate	437.1223	437.1231	C₂₄H₂₀O₈	ESI+
12.590/12.590	3-O-没食子酰-表儿茶素-(4β->8)-儿茶素3-O-galloyl-epicatechin-(4β->8)-catechin	731.1594/729.1473	731.1607/729.1461	C₃₇H₃₀O₁₆	ESI+/ESI-
4.177	表儿茶素3-葡萄糖苷 Epicatechin 3-glucoside	451.1245	451.1246	C₂₁H₂₄O₁₁	ESI-
12.84	没食子儿茶素-(4α->8)-表儿茶素Gallocatechin-(4α->8)-epicatechin	593.1301	593.1300	C₃₀H₂₆O₁₃	ESI-
8.120/8.120	表没食子儿茶素3-O-(3-O-甲基)没食子酸酯Epigallocatechin 3-O- (3-O-methyl)gallate	473.1069/471.093	473.1078/471.0933	C₂₃H₂₀O₁₁	ESI+/ESI-
5.520	8-C-抗坏血酸表没食子儿茶素3-O-没食子酸酯8-C-Ascorbyl epigallocatechin 3-O-gallate	631.0949	631.0941	C₂₈H₂₄O₁₇	ESI-
11.430/11.430	表茶黄棓灵3-O-没食子酸酯 Epitheaflagallin 3-O-gallate	553.0969/551.0829	553.0977/551.0831	C₂₇H₂₀O₁₃	ESI+/ESI-
8.410	表没食子儿茶素-(4β->8)-表儿茶-3-O-没食子酸酯 Epigallocatechin-(4β->8)-epicatechin-3-O-gallate ester	747.1553	747.1556	C₃₇H₃₀O₁₇	ESI+
儿茶素聚合物 Dimeric，oligomeric and polymeric of catechins（19）
6.390/6.390	聚酯型儿茶素B Theasinensin B	763.1491/761.1359	763.1505/761.1359	C₃₇H₃₀O₁₈	ESI+/ESI-
4.765	聚酯型儿茶素A Theasinensin A	913.1468	913.1468	C₄₄H₃₄O₂₂	ESI-
0.807	聚酯型儿茶素C Theasinensin C	609.1249	609.1249	C₃₀H₂₆O₁₄	ESI-
6.420/6.420	聚酯型儿茶素F Theasinensin F	899.1665/897.1519	899.1665/897.1519	C₄₄H₃₄O₂₁	ESI+/ESI-
7.290	新唢呐草素I Tellimagrandin I	785.0859	785.0843	C₃₄H₂₆O₂₂	ESI-
7.450	茶氨酸-3-没食子酸酯 Theacitrin-3-gallate	761.1326	761.1348	C₃₇H₂₈O₁₈	ESI+
7.670	乌龙茶素3′-O-没食子酸酯 Oolongtheanin 3′-O-gallate	883.1357	883.1363	C₄₃H₃₂O₂₁	ESI-
9.040	茶氨酸C Theacitrin C	911.1321	911.1312	C₄₄H₃₂O₂₂	ESI+
9.040	茶氨酸A Theacitrin A	759.1204	759.1203	C₃₇H₂₈O₁₈	ESI-
9.610	茶黄素 Theaflavin	565.1344	565.1341	C₂₉H₂₄O₁₂	ESI+
11.260	茶黄素3-O-没食子酸酯 Theaflavin 3-O-gallate	715.1309	715.1305	C₃₆H₂₈O₁₆	ESI-
10.340	茶黄酸 Theaflavic acid	427.0674	427.0671	C₂₁H₁₆O₁₀	ESI-
9.463	茶黄素3,3′-双没食子酸酯 Theaflavin 3,3′-digallate	867.1414	867.1414	C₄₃H₃₂O₂₀	ESI-
12.190	乌龙茶素 Oolongtheanin	731.1253	731.0124	C₃₆H₂₈O₁₇	ESI-
12.450/12.450	脱氢茶黄素 Dehydrotheaflavin	579.1127/577.0984	579.1133/577.0977	C₂₉H₂₂O₁₃	ESI+/ESI-
12.650/12.650	茶黄酸盐B Theaflavate B	717.144/699.137	701.1501/699.1355	C₃₆H₂₈O₁₅	ESI+/ESI-
7.210	原花青素B2 Procyanidin B2	865.1985	865.1985	C₄₅H₃₈O₁₈	ESI-
8.970	原花青素B4 Procyanidin B4	577.1354	577.1351	C₃₀H₂₆O₁₂	ESI-
10.610/10.610	茶多醌 Theanaphthoquinone	535.1229/533.1094	535.1234/533.1089	C₂₈H₂₂O₁₁	ESI+/ESI-
黄酮和黄酮糖苷Flavone and flavone glycosides（32）
9.860	芦丁 Rutin	611.1597	611.1607	C₂₇H₃₀O₁₆	ESI+
1.490	圣草酚 Eriodictyol	288.0633	288.0628	C₁₅H₁₁O₆	ESI+
9.980/9.980	茶黄棓灵 Theaflagallin	401.0855/399.0719	401.0867/399.0722	C₂₀H₁₆O₉	ESI+/ESI-
4.170/4.170	白矢车菊素 Leucocyanidin	307.0807/305.0668	307.0812/305.0667	C₁₅H₁₄O₇	ESI+/ESI-
11.640	槲皮素 Quercetin	301.0353	301.0354	C₁₅H₁₀O₇	ESI-
5.270/5.270	槲皮-3-O-葡萄糖苷 Quercetin-3-O-glucoside	465.1027/463.0881	465.1027/463.0881	C₂₁H₂₀O₁₂	ESI+/ESI-
8.752/8.572	槲皮-3-O-半乳糖苷 Quercetin-3-O-galactoside	465.1026/463.08842	465.1028/463.0881	C₂₁H₂₀O₁₂	ESI+/ESI-
11.080/11.150	槲皮素3-O-鼠李糖苷 Quercetin 3-O-rhamnoside	449.1072/447.0932	449.1078/447.0933	C₂₁H₂₀O₁₁	ESI+/ESI-
5.920	飞燕草素3-O-β-D-(6-O-(E)-对香豆素基)吡喃半乳糖苷 Delphinidin 3-O-β-D-(6-O-(E)-p-coumaryl)galactopyranoside	610.1332	610.1328	C₃₀H₂₇O₁₄	ESI-
5.970	花青素3-O-(2-O-β-吡喃木糖基)-β-吡吡喃半乳糖苷 Cyanidin 3-O-(2-O-β-xylopyranosyl)-β- galactopyranoside	580.1428	580.1433	C₂₆H₂₉O₁₅	ESI-
7.030	二氢山奈酚 Dihydrokaempferol	289.0707	289.0707	C₁₅H₁₂O₆	ESI+
7.640	Assamicain A	915.1629	915.1625	C₄₄H₃₆O₂₂	ESI-
7.890	二氢槲皮素 Dihydroquercetin	303.0511	303.0510	C₁₅H₁₂O₇	ESI-
8.950/8.950	杨梅素 Myricetin	319.0443/317.0302	319.0448/317.0303	C₁₅H₁₀O₈	ESI+/ESI-
9.090/9.090	杨梅素3-O-葡萄糖苷 Myricetin 3-O-glucoside	481.0976/479.0831	481.0976/479.0831	C₂₁H₂₀O₁₃	ESI+/ESI-
9.190/9.190	杨梅素3-O-半乳糖苷 Myricetin 3-O-galactoside	481.0967/479.0829	481.0977/479.0831	C₂₁H₂₀O₁₃	ESI+/ESI-
9.190/9.190	山奈酚 Kaempferol	287.0543/285.0404	287.0550/285.0404	C₁₅H₁₀O₆	ESI+/ESI-
10.450	山奈酚-3-O-阿拉伯糖苷Kaempferol-3-O-arabinoside	419.0747	419.0972	C₂₀H₁₈O₁₀	ESI+
6.483	山奈酚-3-芸香苷 Kaempferol-3-rutinoside	595.1651	595.1657	C₂₇H₃₀O₁₅	ESI+
6.517	山奈酚-3-O-葡萄糖苷 Kaempferol-3-O-glucoside	447.0934	447.0932	C₂₁H₂₀O₁₁	ESI+
6.846	山奈酚-3-O-半乳糖苷Kaempferol-3-O-galactoside	447.0934	447.0932	C₂₁H₂₀O₁₁	ESI+
9.780	槲皮素3-木糖-(1->2)-鼠李糖基-(1->6)-葡萄糖苷 Quercetin 3-xylosyl-(1->2)-rhamnosyl- (1->6)-glucoside	741.1884	741.1883	C₃₂H₃₈O₂₀	ESI-
9.880	槲皮素3-葡萄糖基-(1->3)-鼠李糖基-(1->6)-半乳糖苷 Quercetin 3-glucosyl-(1->3)-rhamnosyl- (1->6)-galactoside	771.1989	771.1989	C₃₃H₄₀O₂₁	ESI-
10.780	山奈酚3-葡萄糖基-(1->3)-鼠李糖基-(1->6)-半乳糖苷 Kaempferol 3-glucosyl-(1->3)-rhamnosyl- (1->6)-galactoside	755.2041	755.204	C₃₃H₄₀O₂₀	ESI-
11.080	山奈酚3-鼠李糖基-(1->3)-鼠李糖-(1->6)-葡萄糖苷 Kaempferol 3-rhamnosyl-(1->3)- rhamnosyl-(1->6)-glucoside	739.2096	739.2091	C₃₃H₄₀O₁₉	ESI-
11.140	牡荆-2-O-葡萄糖苷 Vitexin-2-O-glucoside	595.1649	595.1657	C₂₇H₃₀O₁₅	ESI-
11.450	茶花粉黄酮 Pollenitin	315.0514	315.0510	C₁₆H₁₂O₇	ESI-
10.930	牡荆素 Vitexin	433.1129	433.1129	C₂₁H₂₀O₁₀	ESI+
13.740	芹菜素 Apigenin	269.0457	269.0455	C₁₅H₁₀O₅	ESI-
8.741	芹菜素6-C-葡糖基-8-C-阿拉伯糖苷 Apigenin 6-C-glucosyl-8-C-arabinoside	725.1934	725.1934	C₃₂H₃₈O₁₉	ESI-
7.293	槲皮素3-O-葡糖苷酸 Quercetin 3-O-glucuronide	477.0674	477.0675	C₂₁H₁₈O₁₃	ESI-
5.078	槲皮素3-O-葡糖基-芸香糖苷 Quercetin 3-O-glucosyl-rutinoside	771.1989	771.1989	C₃₃H₄₀O₂₁	ESI-
氨基酸Amino acids（19）
0.764/0.764	精氨酸 Arginine	175.1189/173.1042	175.1190/173.1044	C₆H₁₄N₄O₂	ESI+/ESI-
0.762	谷氨酸 Glutamic acid	148.0604	148.0604	C₅H₉NO₄	ESI+
0.761	谷氨酰胺 Glutamine	145.0618	145.0619	C₅H₁₀N₂O₃	ESI-
1.023	亮氨酸 Leucine	132.1019	132.1019	C₆H₁₃NO₂	ESI+
0.742	赖氨酸 Lysine	147.1128	147.1128	C₆H₁₄N₂O₂	ESI+
1.631	哌啶酸 Pipecolic acid	130.0862	130.0863	C₆H₁₁NO₂	ESI+
1.049	脯氨酸 Proline	116.0706	116.0706	C₅H₉NO₂	ESI+
0.761/0.761	焦谷氨酸 Pyroglutamic acid	130.0498/128.0353	130.0499/128.0353	C₅H₇NO₃	ESI+/ESI-
1.842	茶氨酸 Theanine	175.1077	175.1077	C₇H₁₄N₂O₃	ESI+
5.691	色氨酸 Tryptophan	203.0826	203.0826	C₁₁H₁₂N₂O₂	ESI-
0.812/0.812	缬氨酸 Valine	118.0862/116.0717	118.0862/116.0717	C₅H₁₁NO₂	ESI+/ESI-
1.060/1.060	丝氨酸 Serine	106.0497/104.0353	106.0499/104.0353	C₃H₇NO₃	ESI+/ESI-
1.080	苏氨酸 Threonine	120.0654	120.0655	C₄H₉NO₃	ESI+
1.070	天冬酰胺 Asparagine	133.0607	133.0608	C₄H₈N₂O₃	ESI+
1.070	天冬氨酸 Aspartic acid	134.0447	134.0448	C₄H₇NO₄	ESI+
1.220	蛋氨酸 Methionine	150.0581	150.0583	C₅H₁₁NO₂S	ESI+
1.060	组氨酸 Histidine	156.0766	156.0768	C₆H₉N₃O₂	ESI+
3.990	苯丙氨酸 Phenylalanine	166.0861	166.0863	C₉H₁₁NO₂	ESI+
1.420/1.420	酪氨酸 Tyrosine	182.0809/180.0666	182.0812/180.0666	C₉H₁₁NO₃	ESI+/ESI-
有机酸Organic acids（7）
5.950	香豆酸 Coumaric acid	163.0401	163.0401	C₉H₈O₃	ESI-
2.320	没食子酸 Gallic acid	169.0142	169.0142	C₇H₆O₅	ESI-
5.960	咖啡酸 Caffeic acid	179.0349	179.0350	C₉H₈O₄	ESI-
12.110	茉莉酸 Jasmonic acid	209.1185	209.1183	C₁₂H₁₈O₃	ESI-
4.840	泛酸 Pantothenic acid	218.1034	218.1034	C₉H₁₇NO₅	ESI-
1.130	抗坏血酸 Ascorbic acid	175.0246	175.0248	C₆H₈O₆	ESI-
1.646	5-没食子酰奎宁酸 5-Galloylquinic acid	345.0809	345.0816	C₁₄H₁₆O₁₀	ESI+
糖类Sugars（8）
1.130	木酮糖 Xylulose	149.0455	149.0455	C₅H₁₀O₅	ESI-
7.790	苄基β-D-吡喃葡萄糖苷 Benzyl β-D-glucopyranoside	269.1031	269.1031	C₁₃H₁₈O₆	ESI-
1.110/1.110	麦芽糖 Maltose	341.1089/343.1234	341.1089/343.1235	C₁₂H₂₂O₁₁	ESI+/ESI-
1.070	棉子糖 Raffinose	503.1619	503.1618	C₁₈H₃₂O₁₆	ESI-
6.560	香豆酰β-D-吡喃葡萄糖苷 Coumaroyl β-D-glucopyranoside	325.0929	325.0929	C₁₅H₁₈O₈	ESI-
6.690/7.030	阿魏酰-β-D-吡喃葡萄糖苷Feruloyl-β-D-glucopyranoside	357.1173/355.1034	357.1180/355.1035	C₁₆H₂₀O₉	ESI+/ESI-
1.170	6-O-没食子酰葡萄糖 6-O-galloylglucose	331.0671	331.0671	C₁₃H₁₆O₁₀	ESI-
9.740	苯乙基β-D-吡喃葡萄糖苷 Phenylethyl β-D-glucopyranoside	285.1324	285.1332	C₁₄H₂₀O₆	ESI+
酚酸Phenolic acids（5）
5.810	木麻黄素 Strictinin	633.0733	633.0733	C₂₇H₂₂O₁₈	ESI-
7.410	4-对香豆酰奎宁酸 4-p-Coumaroylquinic acid	337.0931	337.0929	C₁₆H₁₈O₈	ESI-
2.192	1-咖啡酰奎宁酸 1-Caffeoylquinic acid	353.0878	353.0878	C₁₆H₁₈O₉	ESI-
0.768/0.768	奎尼酸 Quinic acid	193.0706/191.0561	193.0707/191.0561	C₇H₁₂O₆	ESI+/ESI-
3.304	原儿茶酸 Protocatechuic acid	153.0193	153.0193	C₇H₆O₄	ESI-
生物碱Alkaloids（3）
4.990/4.990	茶碱 Theophylline	181.0717/179.0574	181.0720/179.0574	C₇H₈N₄O₂	ESI+/ESI-
4.978/5.346	咖啡碱 Caffeine	195.0876	195.0877	C₈H₁₀N₄O₂	ESI+
1.018	哌啶 Piperidine	86.0964	86.0964	C₅H₁₁N	ESI+
核苷和核苷酸Nucleosides and nucleotides（4）
0.848	腺苷酸 Adenosine monophosphate	346.0558	346.0558	C₁₀H₁₄N₅O₇P	ESI-
1.595	鸟苷 Guanosine	284.0989	284.0989	C₁₀H₁₃N₅O₅	ESI+
2.603	1-甲基黄嘌呤 1-Methylxanthine	167.0563	167.0564	C₆H₆N₄O₂	ESI+
5.331	甲硫腺苷 Methylthioadenosine	298.0968366	298.0968	C₁₁H₁₅N₅O₃S	ESI+
激素Hormones（2）
9.100	茉莉酸甲酯 Methyl jasmonate	225.1477	225.1485	C₁₃H₂₀O₃	ESI+
15.380	赤霉素A53 Gibberellin A53	349.1979	349.2010	C₂₀H₂₈O₅	ESI+
其他Others（3）
8.490	淫羊藿次苷B5 Icariside B5	389.2159	389.2170	C₁₉H₃₂O₈	ESI+
0.769	N-乳酰基乙醇胺 N-Lactoyl ethanolamine	132.0666	132.0666	C₅H₁₁NO₃	ESI-
8.260	核黄素 Riboflavin	377.1449	377.1456	C₁₇H₂₀N₄O₆	ESI+

保留时间/ min Retention time	代谢物 Metabolite	实测质荷比/ （m/z） Accurate mass	理论质荷比/（m/z） Theoretical mass	分子式 Formula	检测模式 Detection mode
儿茶素类 Catechins（22）
5.423	儿茶素 Catechin	289.0717	289.0718	C₁₅H₁₄O₆	ESI-
6.050/6.050	表儿茶素 Epicatechin	291.0857/289.0719	291.0863/289.0718	C₁₅H₁₄O₆	ESI+/ESI-
4.605	没食子儿茶素 Gallocatechin	305.0666	305.0667	C₁₅H₁₄O₇	ESI-
12.645	儿茶素3-O-没食子酸酯 Catechin 3-O-gallate	441.0828	441.0827	C₂₂H₁₈O₁₀	ESI-
5.265/5.265	表儿茶素3-O-没食子酸酯 Epicatechin 3-O-gallate	443.0966/441.0826	443.0973/441.0827	C₂₂H₁₈O₁₀	ESI+/ESI-
2.688	表没食子儿茶素 Epigallocatechin	305.0666	305.0667	C₁₅H₁₄O₇	ESI-
4.289	表没食子儿茶素没食子酸酯 Epigallocatechin gallate	457.0776	457.0776	C₂₂H₁₈O₁₁	ESI-
7.640/7.640	没食子儿茶素3-O-没食子酸酯 Gallocatechin 3-O-gallate	459.0914/457.078	459.0922/457.0776	C₂₂H₁₈O₁₁	ESI+/ESI-
4.933/4.933	表阿福豆素3-O-没食子酸酯 Epiafzelechin 3-O-gallate	427.1017/425.0878	427.1024/425.0878	C₂₂H₁₈O₉	ESI+/ESI-
6.278	表没食子儿茶素3,5-双没食子酸酯Epigallocatechin 3,5-digallate	609.0885	609.0886	C₂₉H₂₂O₁₅	ESI-
8.47/8.48	表儿茶素3-O-对羟基苯甲酸酯 Epicatechin 3-O-p-hydroxybenzoate	411.1075/409.0931	411.1074/409.0929	C₂₂H₁₈O₈	ESI+/ESI-
9.380	表没食子儿茶素3-O-对香豆素 Epigallocatechin 3-O-p-coumarate	451.1034	451.1035	C₂₄H₂₀O₉	ESI-
9.500	表儿茶素3-O-(3-O-甲基)没食子酸酯 Epicatechin 3-O-(3-O-methyl)gallate	457.1129	457.1129	C₂₃H₂₀O₁₀	ESI+
6.253/6.258	表阿福豆素 Epiafzelechin	275.0896/273.0768	275.0914/273.0768	C₁₅H₁₄O₅	ESI+/ESI-
11.940	表没食子儿茶素3-O-肉桂酸酯 Epigallocatechin 3-O-cinnamate	437.1223	437.1231	C₂₄H₂₀O₈	ESI+
12.590/12.590	3-O-没食子酰-表儿茶素-(4β->8)-儿茶素3-O-galloyl-epicatechin-(4β->8)-catechin	731.1594/729.1473	731.1607/729.1461	C₃₇H₃₀O₁₆	ESI+/ESI-
4.177	表儿茶素3-葡萄糖苷 Epicatechin 3-glucoside	451.1245	451.1246	C₂₁H₂₄O₁₁	ESI-
12.84	没食子儿茶素-(4α->8)-表儿茶素Gallocatechin-(4α->8)-epicatechin	593.1301	593.1300	C₃₀H₂₆O₁₃	ESI-
8.120/8.120	表没食子儿茶素3-O-(3-O-甲基)没食子酸酯Epigallocatechin 3-O- (3-O-methyl)gallate	473.1069/471.093	473.1078/471.0933	C₂₃H₂₀O₁₁	ESI+/ESI-
5.520	8-C-抗坏血酸表没食子儿茶素3-O-没食子酸酯8-C-Ascorbyl epigallocatechin 3-O-gallate	631.0949	631.0941	C₂₈H₂₄O₁₇	ESI-
11.430/11.430	表茶黄棓灵3-O-没食子酸酯 Epitheaflagallin 3-O-gallate	553.0969/551.0829	553.0977/551.0831	C₂₇H₂₀O₁₃	ESI+/ESI-
8.410	表没食子儿茶素-(4β->8)-表儿茶-3-O-没食子酸酯 Epigallocatechin-(4β->8)-epicatechin-3-O-gallate ester	747.1553	747.1556	C₃₇H₃₀O₁₇	ESI+
儿茶素聚合物 Dimeric，oligomeric and polymeric of catechins（19）
6.390/6.390	聚酯型儿茶素B Theasinensin B	763.1491/761.1359	763.1505/761.1359	C₃₇H₃₀O₁₈	ESI+/ESI-
4.765	聚酯型儿茶素A Theasinensin A	913.1468	913.1468	C₄₄H₃₄O₂₂	ESI-
0.807	聚酯型儿茶素C Theasinensin C	609.1249	609.1249	C₃₀H₂₆O₁₄	ESI-
6.420/6.420	聚酯型儿茶素F Theasinensin F	899.1665/897.1519	899.1665/897.1519	C₄₄H₃₄O₂₁	ESI+/ESI-
7.290	新唢呐草素I Tellimagrandin I	785.0859	785.0843	C₃₄H₂₆O₂₂	ESI-
7.450	茶氨酸-3-没食子酸酯 Theacitrin-3-gallate	761.1326	761.1348	C₃₇H₂₈O₁₈	ESI+
7.670	乌龙茶素3′-O-没食子酸酯 Oolongtheanin 3′-O-gallate	883.1357	883.1363	C₄₃H₃₂O₂₁	ESI-
9.040	茶氨酸C Theacitrin C	911.1321	911.1312	C₄₄H₃₂O₂₂	ESI+
9.040	茶氨酸A Theacitrin A	759.1204	759.1203	C₃₇H₂₈O₁₈	ESI-
9.610	茶黄素 Theaflavin	565.1344	565.1341	C₂₉H₂₄O₁₂	ESI+
11.260	茶黄素3-O-没食子酸酯 Theaflavin 3-O-gallate	715.1309	715.1305	C₃₆H₂₈O₁₆	ESI-
10.340	茶黄酸 Theaflavic acid	427.0674	427.0671	C₂₁H₁₆O₁₀	ESI-
9.463	茶黄素3,3′-双没食子酸酯 Theaflavin 3,3′-digallate	867.1414	867.1414	C₄₃H₃₂O₂₀	ESI-
12.190	乌龙茶素 Oolongtheanin	731.1253	731.0124	C₃₆H₂₈O₁₇	ESI-
12.450/12.450	脱氢茶黄素 Dehydrotheaflavin	579.1127/577.0984	579.1133/577.0977	C₂₉H₂₂O₁₃	ESI+/ESI-
12.650/12.650	茶黄酸盐B Theaflavate B	717.144/699.137	701.1501/699.1355	C₃₆H₂₈O₁₅	ESI+/ESI-
7.210	原花青素B2 Procyanidin B2	865.1985	865.1985	C₄₅H₃₈O₁₈	ESI-
8.970	原花青素B4 Procyanidin B4	577.1354	577.1351	C₃₀H₂₆O₁₂	ESI-
10.610/10.610	茶多醌 Theanaphthoquinone	535.1229/533.1094	535.1234/533.1089	C₂₈H₂₂O₁₁	ESI+/ESI-
黄酮和黄酮糖苷Flavone and flavone glycosides（32）
9.860	芦丁 Rutin	611.1597	611.1607	C₂₇H₃₀O₁₆	ESI+
1.490	圣草酚 Eriodictyol	288.0633	288.0628	C₁₅H₁₁O₆	ESI+
9.980/9.980	茶黄棓灵 Theaflagallin	401.0855/399.0719	401.0867/399.0722	C₂₀H₁₆O₉	ESI+/ESI-
4.170/4.170	白矢车菊素 Leucocyanidin	307.0807/305.0668	307.0812/305.0667	C₁₅H₁₄O₇	ESI+/ESI-
11.640	槲皮素 Quercetin	301.0353	301.0354	C₁₅H₁₀O₇	ESI-
5.270/5.270	槲皮-3-O-葡萄糖苷 Quercetin-3-O-glucoside	465.1027/463.0881	465.1027/463.0881	C₂₁H₂₀O₁₂	ESI+/ESI-
8.752/8.572	槲皮-3-O-半乳糖苷 Quercetin-3-O-galactoside	465.1026/463.08842	465.1028/463.0881	C₂₁H₂₀O₁₂	ESI+/ESI-
11.080/11.150	槲皮素3-O-鼠李糖苷 Quercetin 3-O-rhamnoside	449.1072/447.0932	449.1078/447.0933	C₂₁H₂₀O₁₁	ESI+/ESI-
5.920	飞燕草素3-O-β-D-(6-O-(E)-对香豆素基)吡喃半乳糖苷 Delphinidin 3-O-β-D-(6-O-(E)-p-coumaryl)galactopyranoside	610.1332	610.1328	C₃₀H₂₇O₁₄	ESI-
5.970	花青素3-O-(2-O-β-吡喃木糖基)-β-吡吡喃半乳糖苷 Cyanidin 3-O-(2-O-β-xylopyranosyl)-β- galactopyranoside	580.1428	580.1433	C₂₆H₂₉O₁₅	ESI-
7.030	二氢山奈酚 Dihydrokaempferol	289.0707	289.0707	C₁₅H₁₂O₆	ESI+
7.640	Assamicain A	915.1629	915.1625	C₄₄H₃₆O₂₂	ESI-
7.890	二氢槲皮素 Dihydroquercetin	303.0511	303.0510	C₁₅H₁₂O₇	ESI-
8.950/8.950	杨梅素 Myricetin	319.0443/317.0302	319.0448/317.0303	C₁₅H₁₀O₈	ESI+/ESI-
9.090/9.090	杨梅素3-O-葡萄糖苷 Myricetin 3-O-glucoside	481.0976/479.0831	481.0976/479.0831	C₂₁H₂₀O₁₃	ESI+/ESI-
9.190/9.190	杨梅素3-O-半乳糖苷 Myricetin 3-O-galactoside	481.0967/479.0829	481.0977/479.0831	C₂₁H₂₀O₁₃	ESI+/ESI-
9.190/9.190	山奈酚 Kaempferol	287.0543/285.0404	287.0550/285.0404	C₁₅H₁₀O₆	ESI+/ESI-
10.450	山奈酚-3-O-阿拉伯糖苷Kaempferol-3-O-arabinoside	419.0747	419.0972	C₂₀H₁₈O₁₀	ESI+
6.483	山奈酚-3-芸香苷 Kaempferol-3-rutinoside	595.1651	595.1657	C₂₇H₃₀O₁₅	ESI+
6.517	山奈酚-3-O-葡萄糖苷 Kaempferol-3-O-glucoside	447.0934	447.0932	C₂₁H₂₀O₁₁	ESI+
6.846	山奈酚-3-O-半乳糖苷Kaempferol-3-O-galactoside	447.0934	447.0932	C₂₁H₂₀O₁₁	ESI+
9.780	槲皮素3-木糖-(1->2)-鼠李糖基-(1->6)-葡萄糖苷 Quercetin 3-xylosyl-(1->2)-rhamnosyl- (1->6)-glucoside	741.1884	741.1883	C₃₂H₃₈O₂₀	ESI-
9.880	槲皮素3-葡萄糖基-(1->3)-鼠李糖基-(1->6)-半乳糖苷 Quercetin 3-glucosyl-(1->3)-rhamnosyl- (1->6)-galactoside	771.1989	771.1989	C₃₃H₄₀O₂₁	ESI-
10.780	山奈酚3-葡萄糖基-(1->3)-鼠李糖基-(1->6)-半乳糖苷 Kaempferol 3-glucosyl-(1->3)-rhamnosyl- (1->6)-galactoside	755.2041	755.204	C₃₃H₄₀O₂₀	ESI-
11.080	山奈酚3-鼠李糖基-(1->3)-鼠李糖-(1->6)-葡萄糖苷 Kaempferol 3-rhamnosyl-(1->3)- rhamnosyl-(1->6)-glucoside	739.2096	739.2091	C₃₃H₄₀O₁₉	ESI-
11.140	牡荆-2-O-葡萄糖苷 Vitexin-2-O-glucoside	595.1649	595.1657	C₂₇H₃₀O₁₅	ESI-
11.450	茶花粉黄酮 Pollenitin	315.0514	315.0510	C₁₆H₁₂O₇	ESI-
10.930	牡荆素 Vitexin	433.1129	433.1129	C₂₁H₂₀O₁₀	ESI+
13.740	芹菜素 Apigenin	269.0457	269.0455	C₁₅H₁₀O₅	ESI-
8.741	芹菜素6-C-葡糖基-8-C-阿拉伯糖苷 Apigenin 6-C-glucosyl-8-C-arabinoside	725.1934	725.1934	C₃₂H₃₈O₁₉	ESI-
7.293	槲皮素3-O-葡糖苷酸 Quercetin 3-O-glucuronide	477.0674	477.0675	C₂₁H₁₈O₁₃	ESI-
5.078	槲皮素3-O-葡糖基-芸香糖苷 Quercetin 3-O-glucosyl-rutinoside	771.1989	771.1989	C₃₃H₄₀O₂₁	ESI-
氨基酸Amino acids（19）
0.764/0.764	精氨酸 Arginine	175.1189/173.1042	175.1190/173.1044	C₆H₁₄N₄O₂	ESI+/ESI-
0.762	谷氨酸 Glutamic acid	148.0604	148.0604	C₅H₉NO₄	ESI+
0.761	谷氨酰胺 Glutamine	145.0618	145.0619	C₅H₁₀N₂O₃	ESI-
1.023	亮氨酸 Leucine	132.1019	132.1019	C₆H₁₃NO₂	ESI+
0.742	赖氨酸 Lysine	147.1128	147.1128	C₆H₁₄N₂O₂	ESI+
1.631	哌啶酸 Pipecolic acid	130.0862	130.0863	C₆H₁₁NO₂	ESI+
1.049	脯氨酸 Proline	116.0706	116.0706	C₅H₉NO₂	ESI+
0.761/0.761	焦谷氨酸 Pyroglutamic acid	130.0498/128.0353	130.0499/128.0353	C₅H₇NO₃	ESI+/ESI-
1.842	茶氨酸 Theanine	175.1077	175.1077	C₇H₁₄N₂O₃	ESI+
5.691	色氨酸 Tryptophan	203.0826	203.0826	C₁₁H₁₂N₂O₂	ESI-
0.812/0.812	缬氨酸 Valine	118.0862/116.0717	118.0862/116.0717	C₅H₁₁NO₂	ESI+/ESI-
1.060/1.060	丝氨酸 Serine	106.0497/104.0353	106.0499/104.0353	C₃H₇NO₃	ESI+/ESI-
1.080	苏氨酸 Threonine	120.0654	120.0655	C₄H₉NO₃	ESI+
1.070	天冬酰胺 Asparagine	133.0607	133.0608	C₄H₈N₂O₃	ESI+
1.070	天冬氨酸 Aspartic acid	134.0447	134.0448	C₄H₇NO₄	ESI+
1.220	蛋氨酸 Methionine	150.0581	150.0583	C₅H₁₁NO₂S	ESI+
1.060	组氨酸 Histidine	156.0766	156.0768	C₆H₉N₃O₂	ESI+
3.990	苯丙氨酸 Phenylalanine	166.0861	166.0863	C₉H₁₁NO₂	ESI+
1.420/1.420	酪氨酸 Tyrosine	182.0809/180.0666	182.0812/180.0666	C₉H₁₁NO₃	ESI+/ESI-
有机酸Organic acids（7）
5.950	香豆酸 Coumaric acid	163.0401	163.0401	C₉H₈O₃	ESI-
2.320	没食子酸 Gallic acid	169.0142	169.0142	C₇H₆O₅	ESI-
5.960	咖啡酸 Caffeic acid	179.0349	179.0350	C₉H₈O₄	ESI-
12.110	茉莉酸 Jasmonic acid	209.1185	209.1183	C₁₂H₁₈O₃	ESI-
4.840	泛酸 Pantothenic acid	218.1034	218.1034	C₉H₁₇NO₅	ESI-
1.130	抗坏血酸 Ascorbic acid	175.0246	175.0248	C₆H₈O₆	ESI-
1.646	5-没食子酰奎宁酸 5-Galloylquinic acid	345.0809	345.0816	C₁₄H₁₆O₁₀	ESI+
糖类Sugars（8）
1.130	木酮糖 Xylulose	149.0455	149.0455	C₅H₁₀O₅	ESI-
7.790	苄基β-D-吡喃葡萄糖苷 Benzyl β-D-glucopyranoside	269.1031	269.1031	C₁₃H₁₈O₆	ESI-
1.110/1.110	麦芽糖 Maltose	341.1089/343.1234	341.1089/343.1235	C₁₂H₂₂O₁₁	ESI+/ESI-
1.070	棉子糖 Raffinose	503.1619	503.1618	C₁₈H₃₂O₁₆	ESI-
6.560	香豆酰β-D-吡喃葡萄糖苷 Coumaroyl β-D-glucopyranoside	325.0929	325.0929	C₁₅H₁₈O₈	ESI-
6.690/7.030	阿魏酰-β-D-吡喃葡萄糖苷Feruloyl-β-D-glucopyranoside	357.1173/355.1034	357.1180/355.1035	C₁₆H₂₀O₉	ESI+/ESI-
1.170	6-O-没食子酰葡萄糖 6-O-galloylglucose	331.0671	331.0671	C₁₃H₁₆O₁₀	ESI-
9.740	苯乙基β-D-吡喃葡萄糖苷 Phenylethyl β-D-glucopyranoside	285.1324	285.1332	C₁₄H₂₀O₆	ESI+
酚酸Phenolic acids（5）
5.810	木麻黄素 Strictinin	633.0733	633.0733	C₂₇H₂₂O₁₈	ESI-
7.410	4-对香豆酰奎宁酸 4-p-Coumaroylquinic acid	337.0931	337.0929	C₁₆H₁₈O₈	ESI-
2.192	1-咖啡酰奎宁酸 1-Caffeoylquinic acid	353.0878	353.0878	C₁₆H₁₈O₉	ESI-
0.768/0.768	奎尼酸 Quinic acid	193.0706/191.0561	193.0707/191.0561	C₇H₁₂O₆	ESI+/ESI-
3.304	原儿茶酸 Protocatechuic acid	153.0193	153.0193	C₇H₆O₄	ESI-
生物碱Alkaloids（3）
4.990/4.990	茶碱 Theophylline	181.0717/179.0574	181.0720/179.0574	C₇H₈N₄O₂	ESI+/ESI-
4.978/5.346	咖啡碱 Caffeine	195.0876	195.0877	C₈H₁₀N₄O₂	ESI+
1.018	哌啶 Piperidine	86.0964	86.0964	C₅H₁₁N	ESI+
核苷和核苷酸Nucleosides and nucleotides（4）
0.848	腺苷酸 Adenosine monophosphate	346.0558	346.0558	C₁₀H₁₄N₅O₇P	ESI-
1.595	鸟苷 Guanosine	284.0989	284.0989	C₁₀H₁₃N₅O₅	ESI+
2.603	1-甲基黄嘌呤 1-Methylxanthine	167.0563	167.0564	C₆H₆N₄O₂	ESI+
5.331	甲硫腺苷 Methylthioadenosine	298.0968366	298.0968	C₁₁H₁₅N₅O₃S	ESI+
激素Hormones（2）
9.100	茉莉酸甲酯 Methyl jasmonate	225.1477	225.1485	C₁₃H₂₀O₃	ESI+
15.380	赤霉素A53 Gibberellin A53	349.1979	349.2010	C₂₀H₂₈O₅	ESI+
其他Others（3）
8.490	淫羊藿次苷B5 Icariside B5	389.2159	389.2170	C₁₉H₃₂O₈	ESI+
0.769	N-乳酰基乙醇胺 N-Lactoyl ethanolamine	132.0666	132.0666	C₅H₁₁NO₃	ESI-
8.260	核黄素 Riboflavin	377.1449	377.1456	C₁₇H₂₀N₄O₆	ESI+

Research on the Dynamic Change of Tea Quality-related Chemical Compositions During‘Danxia 2’Black Tea Processing

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