不同生境白牡丹茶叶香气特征分析及产地判别

doi:10.3864/j.issn.0578-1752.2024.23.015

中国农业科学 ›› 2024, Vol. 57 ›› Issue (23): 4774-4793.doi: 10.3864/j.issn.0578-1752.2024.23.015

不同生境白牡丹茶叶香气特征分析及产地判别

罗钦¹(), 毛方华¹(), 陈谢勇², 陈静³, 黄彪¹, 叶乃兴², 郑德勇⁴, 韦航¹(), 姚清华¹()

¹ 福建省农业科学院农业质量标准与检测技术研究所/福建省农产品质量安全重点实验室，福州 350003
² 福建农林大学园艺学院，福州 350002
³ 宁德职业技术学院茶学院，福建福安 355000
⁴ 福建农林大学材料工程学院，福州 350002

收稿日期:2024-04-20 接受日期:2024-09-25 出版日期:2024-12-01 发布日期:2024-12-07
通信作者:
韦航，E-mail：349537891@qq.com。
姚清华，E-mail：yaoyaoshuimu@163.com
联系方式: 罗钦，E-mail：33044390@qq.com。毛方华，E-mail：905138626@qq.com。罗钦和毛方华为同等贡献作者。
基金资助:
福建省科技计划-省属公益类科研院所基本科研专项(2022R1022004); 福建省财政专项-福建省农业科学院创新团队建设项目(CXTD2021011-1); 福建省人民政府-中国农业科学院“5511”协同创新工程(XTCXGC2021020)

Analysis of Aroma Characteristics and Origin Discrimination of White Peony Tea in Different Origins

LUO Qin¹(), MAO FangHua¹(), CHEN XieYong², CHEN Jing³, HUANG Biao¹, YE NaiXing², ZHENG DeYong⁴, WEI Hang¹(), YAO QingHua¹()

¹ Institute of Quality Standards & Testing Technology for Agro-Products, Fujian Academy of Agricultural Sciences/Fujian Key Laboratory of Agro-products Quality & Safety, Fuzhou 350003
² College of Horticulture, Fujian Agriculture and Forestry University, Fuzhou 350002
³ Tea College, Ningde Vocational and Technical College, Fu’an 355000, Fujian
⁴ College of Materials Engineering, Fujian Agriculture and Forestry University, Fuzhou 350002

Received:2024-04-20 Accepted:2024-09-25 Published:2024-12-01 Online:2024-12-07

摘要/Abstract

摘要：

【目的】基于香气特征探究小区域白牡丹茶叶产地判别技术，为茶叶原产地溯源及品牌建设提供理论参考。【方法】通过顶空固相微萃取-气相色谱-质谱联用技术分析产自政和县、松溪县和福安市的白牡丹茶叶香气组成及含量，结合数理统计学方法，筛选特征性化合物，构建白牡丹茶叶产地判别模型。【结果】白牡丹茶叶香气物质包括醛类（24个）、酮类（23个）、醇类（22个）、酯类（14个）、酸类（8个）和其他类（烷、烯、喃、醚、酐、酚、胺、萘等）。白牡丹茶叶香气平均含量为（3 487.93±1 014.04）μg·kg^-1，其中政和县样品中香气含量极显著高于松溪县和福安市样品（P<0.01），松溪县和福安市样品的平均总含量无显著性差异（P>0.05）。3个产地白牡丹茶叶含量均以醇类最高，酸类最低，而且3个产地白牡丹茶叶中醇类和酸类的总含量均无显著性差异，政和县样品中酮类、醛类和酯类的总含量分别极显著高于福安市和松溪县样品（P<0.01），但福安市和松溪县样品中酮类、醛类和酯类含量均无显著性差异（P>0.05）；正己醇、1-辛烯-3-醇和苯甲醇等58个香气物质含量在不同产地间存在显著或极显著差异。PLS-DA和OPLS-DA模型均未出现过拟合，模型验证效果较好，2个模型的预测指数分别为0.732和0.728，判别准确率分别为 98.89%和96.67%、VIP值≥1的特征性香气物质分别有38个和46个。逐步判别分析模型稳定且可信，其筛选出的特征香气物质有20个，初始和交叉验证的判别准确率均为100.00%。联合 OPLS-DA、PLS-DA 和逐步判别分析方法筛选出政和县样品中主要特征香气物质为乙基吡咯 2-甲醛、香叶醛、8-十一烯醛、苯甲醇、2,6-二甲基环己醇、甲基庚烯酮、反式-3-壬烯-2-酮、环癸酮、壬酸乙酯、乙酸苄酯；松溪县样品中主要特征香气物质为β-紫罗酮；福安市样品中主要特征香气物质为庚醛、正己醇、橙花醇、3-壬烯-5-酮、壬酸乙酯、乙酸香叶酯。【结论】建立了基于香气特征的小区域白牡丹茶叶产地判别技术，其中以逐步判别分析技术最佳。

关键词: 不同产地, 白牡丹, 白茶, 香气, 逐步判别分析

Abstract:

【Objective】 This study aimed to explore the origin discrimination technology for White Peony tea from small regions based on aroma characterization, so as to provide the technical support for tea origin traceability and brand building.【Method】 The aroma composition of White Peony tea from the main production areas (Zhenghe, Songxi, and Fu’an) was analyzed using the gas chromatography-mass spectrometry (GC-MS) with a headspace solid-phase microextraction method. A model for identifying the origin of White Peony tea was constructed by integrating mathematical and statistical methods to screen for characteristic compounds.【Result】 The aroma compounds in White Peony tea were comprised with aldehydes (24), ketones (23), alcohols (22), esters (14), acids (8), and other compounds (alkanes, alkenes, furans, ethers, anhydrides, phenols, amines, naphthalenes, etc.). The average aroma content in the tea samples was (3 487.93±1 014.04) μg∙kg^-1. The average aroma content in samples from Zhenghe County was significantly higher than that in samples from Songxi County and Fu’an City (P<0.01). For samples from Songxi and Fu’an, there was no significant difference. The total content of alcohols and acids in samples were not significantly different across the three regions (P>0.05), while the total content of ketones, aldehydes, and esters in samples from Zhenghe were significantly higher than those in samples from Fu’an and Songxi (P<0.01). Furthermore, 58 aromatic compounds, including hexanol, 1-octen-3-ol, and benzyl alcohol, showed no significant differences among the three regions (P>0.05). The PLS-DA and OPLS-DA models were well-validated with prediction indices of 0.732 and 0.728, respectively, and the discrimination accuracy of them was 98.89% and 96.67%, respectively. Based on two models, 38 and 46 characteristic aroma substances were identified with VIP values ≥1. The stepwise discriminant analysis also proved stable and reliable, screening 20 characteristic aroma compounds with 100% accuracy in both initial and cross-validation. Using combined OPLS-DA, PLS-DA, and stepwise discriminant analysis, 1H-Pyrrole-2- carboxaldehyde,1-ethyl-, Geranial, Undec-8-enal <cis->, Benzyl alcohol, Cyclohexanol, 2,6-dimethyl-, Hept-5-en-2-one <6-methyl->, Trans-3-Nonen-2-one, Cyclodecanone, Nonanoic acid, Ethyl ester, and Benzyl acetate were identified as the main characteristic aroma compounds in samples from Zhenghe County. Ionone <(E)-, beta-> was the main characteristic aroma compound for samples from Songxi County. The characteristic aroma compounds in samples from Fu’an City were Enanthaldehyde, Hexanol <n->, Nerol, 3-Nonen-5-one, Nonanoic acid, ethyl ester, and Geranyl acetate. 【Conclusion】 A method for discriminating the origin of White Peony tea from small regions based on aroma characteristics was developed.

Key words: different origins, White Peony, white tea, aroma, linear discriminant analysis

罗钦, 毛方华, 陈谢勇, 陈静, 黄彪, 叶乃兴, 郑德勇, 韦航, 姚清华. 不同生境白牡丹茶叶香气特征分析及产地判别[J]. 中国农业科学, 2024, 57(23): 4774-4793.

LUO Qin, MAO FangHua, CHEN XieYong, CHEN Jing, HUANG Biao, YE NaiXing, ZHENG DeYong, WEI Hang, YAO QingHua. Analysis of Aroma Characteristics and Origin Discrimination of White Peony Tea in Different Origins[J]. Scientia Agricultura Sinica, 2024, 57(23): 4774-4793.

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链接本文: https://www.chinaagrisci.com/CN/10.3864/j.issn.0578-1752.2024.23.015

https://www.chinaagrisci.com/CN/Y2024/V57/I23/4774

图/表 9

表1

不同产地白牡丹茶的香气含量"

序号 Number	香气物质 Aroma substance	ZH (µg·kg^-1)			SX (µg·kg^-1)			FA (µg·kg^-1)			全部样品 All sample (µg·kg^-1)			P值 P-value
序号 Number	香气物质 Aroma substance	平均值 Mean value	最小值 Minimum	最大值 Maximum	平均值 Mean value	最小值 Minimum	最大值 Maximum	平均值 Mean value	最小值 Minimum	最大值 Maximum	平均值 Mean value	最小值 Minimum	最大值 Maximum	P值 P-value
	醇类 Alcohols	1794.99±537.57a	1126.62	3137.93	1901.67±552.63a	1067.74	3145.45	1755.69±448.83a	808.77	2508.59	1817.45±512.99	808.77	3145.45	0.527
1	正己醇 Hexanol <n->	2.11±4.01b	0.00	11.94	1.38±2.88b	0.00	8.87	6.61±7.58a	0.00	28.59	3.37±5.66	0.00	28.59	0.000
2	1-辛烯-3-醇 1-Octen-3-ol	18.60±6.96a	8.23	33.48	8.89±2.31c	4.56	14.79	13.44±7.90b	2.67	39.36	13.64±7.34	2.67	39.36	0.000
3	苯甲醇 Benzyl alcohol	99.31±25.19b	70.38	159.17	121.03±36.25a	59.57	213.12	123.60±30.03a	64.46	190.61	114.64±32.38	59.57	213.12	0.005
4	氧化trans-芳樟醇 Linalool oxide <trans->	156.03±55.17a	90.24	337.75	156.64±65.71a	53.53	269.06	131.64±46.70a	50.84	243.84	148.11±56.98	50.84	337.75	0.153
5	氧化cis-芳樟醇 Linalool oxide <cis->	424.44±131.83a	244.23	787.86	392.52±181.91ab	119.00	695.71	317.81±134.27b	95.15	577.12	378.26±156.01	95.15	787.86	0.023
6	芳樟醇 Linalool	348.71±99.84b	231.19	576.06	381.93±79.12ab	259.19	648.20	426.35±183.43a	123.04	763.48	385.67±131.43	123.04	763.48	0.070
7	2,6-二甲基环己醇 Cyclohexanol, 2,6-dimethyl-	34.07±9.36a	20.18	54.15	22.44±7.89b	10.84	45.99	18.09±10.60b	0.00	51.19	24.87±11.46	0.00	54.15	0.000
8	苯乙醇 Phenethyl alcohol	133.95±38.34b	88.43	257.97	160.42±50.56a	72.92	285.53	144.33±40.06ab	70.98	225.89	146.23±44.21	70.98	285.53	0.064
9	一氧化二芳樟醇 (3R,6S)-2,2,6-Trimethyl-6- vinyltetrahydro-2H-pyran-3-ol	178.00±52.66a	98.13	290.08	177.87±80.24a	67.12	351.03	141.05±47.55b	42.07	240.22	165.64±63.60	42.07	351.03	0.033
10	橙花醇 Nerol	9.97±3.08a	3.69	17.48	10.50±5.24a	3.18	21.96	8.85±4.52a	0.00	18.62	9.77±4.38	0.00	21.96	0.337
11	香叶醇 Geraniol	324.25±111.09a	161.79	552.31	400.59±194.81a	106.56	784.83	338.64±177.09a	90.55	753.42	354.50±166.48	90.55	784.83	0.169
12	1-十六烷醇 1-Hexadecanol	2.49±5.22a	0.00	26.50	2.68±2.38a	0.00	8.59	3.89±5.55a	0.00	20.49	3.02±4.60	0.00	26.50	0.442
13	反式-橙花叔醇 1,6,10-Dodecatrien-3-ol, 3,7, 11-trimethyl-, (E)-	5.85±3.58b	2.88	17.73	13.65±9.17a	0.00	38.36	4.25±5.30b	0.00	16.26	7.92±7.60	0.00	38.36	0.000
14	1-十七烷醇 Heptadecyl alcohol	5.74±5.20a	0.00	13.41	1.07±2.01c	0.00	5.55	3.53±4.22b	0.00	10.40	3.45±4.43	0.00	13.41	0.000
15	雪松醇 Cedrol	25.49±67.00ab	0.00	370.36	19.32±5.90b	7.43	31.61	49.02±49.48a	11.59	273.52	31.28±49.37	0.00	370.36	0.047
16	叶醇 Hex-3(Z)-enol	4.02±8.01a	0.00	29.44	0.94±5.12a	0.00	28.06	5.39±12.26a	0.00	41.23	3.45±9.05	0.00	41.23	0.149
17	18-十九烯-1-醇 18-Nonadecen-1-ol	0.14±0.75a	0.00	4.12	0.41±1.29a	0.00	5.21	0.14±0.74a	0.00	4.07	0.23±0.96	0.00	5.21	0.442
18	α-松油醇 L-.alpha.-Terpineol	15.55±15.76a	0.00	58.41	15.67±6.33a	5.35	26.14	13.63±5.90a	4.44	24.68	14.95±10.30	0.00	58.41	0.696
19	1-癸烯-3-醇 Decene <3-hydroxy->	1.82±3.08a	0.00	12.54	0.25±0.96b	0.00	3.97	1.04±2.81ab	0.00	12.80	1.04±2.52	0.00	12.80	0.054
20	3,5-辛二烯-2-醇 3,5-Octadien-2-ol	0.40±2.18a	0.00	11.92	0.53±2.90a	0.00	15.90	1.43±5.49a	0.00	24.02	0.79±3.79	0.00	24.02	0.520
21	2-丁基-1-辛醇 1-Octanol, 2-butyl-	3.65±10.57b	0.00	47.49	9.86±8.77a	0.00	33.30	1.16±4.44b	0.00	19.81	4.89±9.03	0.00	47.49	0.000
22	二氢芳樟醇 1,5,7-Octatrien-3-ol, 3,7- dimethyl-	0.39±2.15a	0.00	11.80	3.08±7.10a	0.00	24.06	1.79±9.81a	0.00	53.73	1.75±7.11	0.00	53.73	0.347
	醛类 Aldehydes	445.91±129.17a	225.45	700.42	249.99±80.78b	91.55	457.27	312.75±151.02b	111.02	660.16	336.22±147.45	91.55	700.42	0.000
1	正己醛 Capronaldehyde	38.67±13.39a	13.56	68.68	12.88±9.15c	0.00	32.53	22.80±24.08b	0.00	108.02	24.78±19.71	0.00	108.02	0.000
2	2-己烯醛 2-Hexenal	12.66±14.44ab	0.00	41.84	5.68±12.15b	0.00	37.21	17.75±32.03a	0.00	138.65	12.03±21.80	0.00	138.65	0.098
3	庚醛 Enanthaldehyde	8.81±3.14a	0.00	15.38	4.78±3.03b	0.00	10.55	8.44±4.45a	0.00	18.80	7.34±4.00	0.00	18.80	0.000
4	苯甲醛 Benzaldehyde	151.25±41.00a	89.79	239.87	78.02±21.86b	30.86	137.47	82.53±33.82b	32.97	154.72	103.93±47.02	30.86	239.87	0.000
5	(E,E)-2,4-庚二烯醛 Heptandienal <2,4-trans,trans->	30.55±10.48a	16.17	60.96	14.96±12.29b	0.00	52.53	12.18±14.53b	0.00	43.33	19.23±14.83	0.00	60.96	0.000
6	苯乙醛 Phenylacetaldehyde	10.49±5.71a	0.00	27.52	7.93±5.96a	0.00	22.78	10.70±5.91a	4.52	31.85	9.71±5.93	0.00	31.85	0.131
7	乙基吡咯2-甲醛 1H-Pyrrole-2-carboxaldehyde, 1-ethyl-	5.90±5.72a	0.00	19.93	0.17±0.91b	0.00	4.99	1.52±4.80b	0.00	20.08	2.53±4.95	0.00	20.08	0.000
8	2-辛烯醛 Oct-2(E)-enal	7.70±2.33a	3.94	13.82	2.08±2.08b	0.00	5.48	3.00±3.70b	0.00	11.09	4.26±3.71	0.00	13.82	0.000
9	壬醛 Nonanal	35.55±11.48b	12.99	57.01	33.60±14.62b	15.85	78.15	47.61±18.55a	19.20	90.27	38.92±16.23	12.99	90.27	0.001
10	2-异丙基-5-氧代己醛 2-Isopropyl-5-oxohexanal	9.87±7.29a	0.00	21.37	0.51±1.17b	0.00	3.69	1.98±3.47b	0.00	10.85	4.12±6.22	0.00	21.37	0.000
11	反-2,6-壬二醛 Nona-2(E),6(E)-dienal	0.52±1.12a	0.00	4.08	0.33±0.85a	0.00	2.70	0.65±1.57a	0.00	5.53	0.50±1.21	0.00	5.53	0.585
12	反式-2-壬醛 Non-2(E)-enal	9.57±2.96a	4.74	18.15	3.34±2.64c	0.00	9.02	5.51±3.65b	0.00	15.72	6.14±4.03	0.00	18.15	0.000
13	癸醛 Decanal	18.42±6.24a	6.00	31.63	9.17±4.21b	2.58	22.12	10.06±6.58b	1.81	30.02	12.55±7.08	1.81	31.63	0.000
14	橙花醛 Neral	12.90±6.76a	0.00	28.23	13.14±7.09a	0.00	28.88	11.09±8.39a	0.00	32.69	12.38±7.42	0.00	32.69	0.509
15	香叶醛 Geranial	26.93±10.17a	15.08	49.96	24.49±11.41a	6.22	52.51	22.44±11.53a	3.08	44.21	24.62±11.08	3.08	52.51	0.295
16	2-丁基-2-庚烯醛 2-Butylhept-2-enal	1.23±4.72a	0.00	20.91	1.02±2.14a	0.00	7.11	2.22±6.78a	0.00	32.47	1.49±4.90	0.00	32.47	0.601
17	8-十一烯醛 Undec-8-enal <cis->	11.44±6.33a	0.00	35.98	0.72±2.34b	0.00	10.04	2.43±3.68b	0.00	11.50	4.86±6.45	0.00	35.98	0.000
18	2-丁基-2-辛烯醛 2-Octenal, 2-butyl-	27.68±13.48a	0.00	51.18	11.73±5.56b	4.88	26.51	18.94±26.24ab	0.00	115.63	19.45±18.35	0.00	115.63	0.003
19	正辛醛 Octanal	10.25±13.13a	0.00	44.74	0.78±1.83b	0.00	6.51	1.42±3.44b	0.00	12.91	4.15±8.94	0.00	44.74	0.000
20	反式-2-己烯醛 Hex-2(E)-enal	9.42±11.96b	0.00	38.53	21.09±12.95a	0.00	47.85	18.70±18.73a	0.00	62.70	16.40±15.53	0.00	62.70	0.008
21	反式-2-癸烯醛 2-Decenal, (E)-	3.10±6.06ab	0.00	19.41	1.25±2.43b	0.00	8.16	5.71±6.34a	0.00	18.85	3.35±5.51	0.00	19.41	0.006
22	反-2-,顺-6-壬二烯醛 Nona-2(E),6(Z)-dienal	0.97±1.75b	0.00	5.96	0.88±1.65b	0.00	5.16	2.09±2.39a	0.00	7.94	1.31±2.01	0.00	7.94	0.032
23	(E,E)-2,4-壬二烯醛 2,4-Nonadienal, (E,E)-	1.59±4.88a	0.00	18.00	1.15±3.46a	0.00	13.86	2.23±3.82a	0.00	11.62	1.65±4.07	0.00	18.00	0.591
24	2-氧代环己烷丙醛 3-(2-Oxocyclohexyl) propionaldehyde	0.45±2.49a	0.00	13.64	0.32±1.30a	0.00	6.54	0.73±2.24a	0.00	8.04	0.50±2.06	0.00	13.64	0.735
	酸类 Acids	19.28±22.92a	0.00	94.65	10.18±10.20a	0.00	42.72	21.20±36.61a	0.00	155.28	16.89±25.79	0.00	155.28	0.211
1	辛酸 Octanoic acid	4.53±7.73a	0.00	29.01	2.25±3.61a	0.00	10.24	4.89±11.41a	0.00	48.58	3.89±8.22	0.00	48.58	0.406
2	冰醋酸 Acetic acid	5.65±9.35a	0.00	27.11	0.40±2.19b	0.00	11.99	5.21±9.81a	0.00	37.72	3.75±8.19	0.00	37.72	0.021
3	反式-3-己烯酸 3-Hexenoic acid, (E)-	0.16±0.86a	0.00	4.71	0.56±1.40a	0.00	6.04	0.24±0.71a	0.00	2.67	0.32±1.04	0.00	6.04	0.287
4	反式-2-己烯酸 2-Hexenoic acid	0.58±1.73a	0.00	6.27	0.19±0.96a	0.00	5.25	0.13±0.56a	0.00	3.08	0.30±1.19	0.00	6.27	0.281
5	(Z)-香叶酸 Neric acid	2.69±5.19ab	0.00	16.33	4.00±6.83a	0.00	27.07	0.58±2.19b	0.00	8.87	2.42±5.25	0.00	27.07	0.037
6	己酸 Hexanoic acid	3.93±11.87a	0.00	61.05	1.34±3.16a	0.00	11.73	4.02±8.77a	0.00	34.08	3.10±8.71	0.00	61.05	0.404
7	正壬酸 Nonanoic acid	0.67±3.68b	0.00	20.15	0.84±2.73b	0.00	12.59	5.93±14.89a	0.00	62.98	2.48±9.23	0.00	62.98	0.041
8	（E）-香叶酸 2,6-Octadienoic acid, 3,7- dimethyl-, (E)-	1.07±5.85a	0.00	32.05	0.60±3.31a	0.00	18.15	0.20±1.12a	0.00	6.13	0.63±3.91	0.00	32.05	0.697
	酮类 Ketones	447.13±123.82a	240.27	715.31	284.34±82.13b	153.05	501.49	295.26±162.56b	57.42	753.39	342.25±146.24	57.42	753.39	0.000
1	甲基庚烯酮 Hept-5-en-2-one <6-methyl->	27.46±7.84a	16.82	48.75	15.13±4.57b	7.24	27.09	17.22±7.34b	4.36	33.08	19.94±8.59	4.36	48.75	0.000
2	5-甲基-1,2,5,6-四氢吡啶-2-酮 1,2,5,6-Tetrahydropyridin-2- one, 5-methyl-	8.57±4.75a	0.00	19.46	6.99±8.84ab	0.00	39.91	4.16±9.56b	0.00	38.69	6.57±8.12	0.00	39.91	0.103
3	3-辛烯-2-酮 Oct-3(E)-en-2-one	16.33±10.15a	0	36.64	3.73±7.57b	0.00	26.78	8.06±10.94b	0.00	37.18	9.37±10.90	0.00	37.18	0.000
4	3,5-辛二烯-2-酮 3,5-Octadien-2-one	147.06±59.61a	35.08	268.67	52.52±34.20b	16.57	150.55	68.40±65.16b	9.94	241.72	89.33±68.19	9.94	268.67	0.000
5	反式-3-壬烯-2-酮 trans-3-Nonen-2-one	4.63±1.59a	0.00	8.09	1.37±4.61b	0.00	19.71	1.27±2.09b	0.00	5.92	2.42±3.41	0.00	19.71	0.000
6	6-甲基-5-乙基-3-庚烯-2-酮 (R,S)-5-Ethyl-6-methyl-3E- hepten-2-one	37.36±12.53a	16.43	64.64	11.56±9.31c	0.00	32.84	19.10±13.26b	0.00	42.98	22.68±15.98	0.00	64.64	0.000
7	环癸酮 Cyclodecanone	8.78±6.62a	0.00	19.05	2.93±3.18b	0.00	9.14	1.46±3.45b	0.00	10.95	4.39±5.62	0.00	19.05	0.000
8	紫罗兰酮 alpha.-Ionone	15.22±4.29a	8.13	28.19	12.64±3.78b	5.25	21.96	9.49±4.30c	3.60	21.24	12.45±4.71	3.60	28.19	0.000
9	香叶基丙酮 5,9-Undecadien-2-one, 6,10- dimethyl-, (E)-	23.18±5.82b	14.56	34.90	28.31±8.17a	11.92	56.31	25.83±13.04ab	7.86	72.38	25.77±9.62	7.86	72.38	0.118
10	β-紫罗酮 Ionone <(E)-, beta->	56.78±13.64b	31.44	82.26	79.85±23.82a	33.63	145.22	55.52±18.80b	18.82	105.48	64.05±22.07	18.82	145.22	0.000
11	5,6-环氧-β-紫罗兰酮 3-Buten-2-one, 4-(2,2,6-trimethyl- 7-oxabicyclo[4.1.0]hept-1-yl)-	33.66±39.39a	0.00	126.16	4.45±17.04b	0.00	74.25	14.09±33.74b	0.00	129.11	17.40±33.47	0.00	129.11	0.002
12	3,4,4-三甲基环戊-2-烯酮 2-Cyclopenten-1-one, 3,4,4- trimethyl-	2.58±5.93a	0.00	17.75	0.42±2.28a	0.00	12.50	3.15±8.51a	0.00	38.45	2.05±6.18	0.00	38.45	0.196
13	3-羟基对薄荷-3-烯-2-酮 2-Cyclohexen-1-one, 2- hydroxy-6-methyl-3-(1- methylethyl)-	2.13±4.17a	0.00	15.17	0.26±1.06b	0.00	5.24	0.65±2.76ab	0.00	14.34	1.01±3.03	0.00	15.17	0.041
14	氮杂环辛酮 2-Azacyclooctanone	10.88±14.82a	0.00	43.52	1.67±6.51b	0.00	30.31	1.11±6.10b	0.00	33.39	4.56±10.85	0.00	43.52	0.000
15	3-乙基-4-甲基吡咯-2,5-二酮 1H-Pyrrole-2,5-dione, 3-ethyl- 4-methyl-	3.53±5.41a	0.00	15.37	0.87±2.03b	0.00	6.71	3.30±6.03ab	0.00	21.46	2.57±4.92	0.00	21.46	0.066
16	茉莉酮 2-Cyclopenten-1-one, 3- methyl-2-(2-pentenyl)-, (Z)-	4.60±9.99b	0.00	47.94	16.83±13.59a	0.00	55.88	9.18±16.80b	0.00	91.02	10.20±14.51	0.00	91.02	0.003
17	6-甲基-6-（5-甲基呋喃-2-基）庚酮 6-Methyl-6-(5-methylfuran- 2-yl)heptan-2-one	38.13±46.97a	0.00	133.23	3.36±12.92b	0.00	57.19	16.83±31.44b	0.00	85.10	19.44±36.09	0.00	133.23	0.001
18	3-异亚丙基-5-甲基-4-己烯-2-酮 3-Isopropylidene-5-methyl- hex-4-en-2-one	0.35±1.90a	0.00	10.43	0.39±2.13a	0.00	11.64	1.16±3.70a	0.00	15.83	0.63±2.69	0.00	15.83	0.428
19	3-羟基-5,6-环氧-β-紫罗兰酮 3-Buten-2-one, 4-(4-hydroxy- 2,2,6-trimethyl-7-oxabicyclo [4.1.0]hept-1-yl)-	4.48±13.78c	0.00	51.18	37.50±18.94a	0.00	67.97	17.38±15.98b	0.00	42.75	19.79±21.18	0.00	67.97	0.000
20	3-壬烯-5-酮 3-Nonen-5-one	0.47±2.60b	0.00	14.22	1.17±4.64b	0.00	22.63	13.56±12.04a	0.00	36.05	5.07±9.64	0.00	36.05	0.000
21	2-十五烷酮 2-Pentadecanone	0.14±0.75a	0.00	4.09	0.09±0.47a	0.00	2.58	0.40±1.22a	0.00	4.67	0.21±0.87	0.00	4.67	0.336
22	2-壬酮 Heptyl methyl ketone	0.08±0.45a	0.00	2.48	0.38±1.17a	0.00	4.32	0.25±0.99a	0.00	4.76	0.24±0.92	0.00	4.76	0.460
23	2,15-十六烷二酮 2,15-Hexadecanedione	0.76±4.15b	0.00	22.73	1.93±2.41ab	0.00	6.97	3.70±4.38a	0.00	13.56	2.13±3.90	0.00	22.73	0.012
	酯类 Esters	373.40±119.08a	189.06	630.02	315.66±83.89b	201.21	587.04	311.33±110.27b	126.56	630.79	333.46±108.10	126.56	630.79	0.044
1	甲酸叶醇酯 Hex-3(Z)-enyl formate>	9.62±8.69b	0.00	35.55	16.31±12.18a	0.00	44.99	18.51±16.14a	0.00	55.51	14.81±13.12	0.00	55.51	0.022
2	正己酸乙酯 Hexanoic acid, ethyl ester	30.21±12.64ab	0.00	55.92	26.26±11.13b	13.20	50.56	37.11±21.54a	18.10	130.22	31.19±16.25	0.00	130.22	0.031
3	γ-己内酯 Hexalactone <gamma->	1.82±2.62a	0.00	7.65	0.12±0.65b	0.00	3.55	0.32±1.29b	0.00	6.41	0.75±1.87	0.00	7.65	0.000
4	水杨酸甲酯 Methyl salicylate	196.95±71.07a	87.06	345.99	177.10±61.22ab	81.28	344.04	152.64±56.75b	47.18	280.06	175.56±65.18	47.18	345.99	0.029
5	辛酸乙酯 Octanoate <ethyl->	20.47±7.22a	0.00	31.90	9.94±7.46b	0.00	19.07	18.94±10.18a	0.00	50.89	16.45±9.53	0.00	50.89	0.000
6	壬酸乙酯 Nonanoic acid, ethyl ester	8.21±3.53b	0.00	16.26	7.06±2.05b	3.25	11.63	10.91±7.44a	3.35	36.63	8.73±5.11	0.00	36.63	0.010
7	香叶酸甲酯 trans-Geranic acid methyl ester	19.52±8.05a	5.19	43.87	14.11±7.19b	0.00	29.23	12.67±9.83b	0.00	36.40	15.43±8.85	0.00	43.87	0.006
8	丙位壬内酯 2(3H)-Furanone, dihydro-5- pentyl-	18.64±7.15a	8.97	37.48	3.67±2.55b	0.00	9.85	5.22±6.85b	0.00	23.68	9.18±8.93	0.00	37.48	0.000
9	乙酸香叶酯 Geranyl acetate	5.51±6.25a	0.00	21.20	1.40±2.26b	0.00	6.24	1.00±2.08b	0.00	6.77	2.63±4.47	0.00	21.20	0.000
10	二氢猕猴桃内酯 2(4H)-Benzofuranone, 5,6,7, 7a-tetrahydro-4,4,7a-trimethyl -, (R)-	55.59±14.50a	27.03	87.32	38.91±12.65b	18.19	67.39	29.89±17.04c	4.78	80.29	41.46±18.16	4.78	87.32	0.000
11	乙酸苄酯 Benzyl acetate	1.88±1.90a	0.00	5.35	0.06±0.33b	0.00	1.80	0.31±0.97b	0.00	3.61	0.75±1.47	0.00	5.35	0.000
12	异丁酸香叶酯 Geranyl isobutyrate	3.09±5.10a	0.00	17.84	1.43±2.60ab	0.00	9.12	0.23±1.25b	0.00	6.85	1.58±3.55	0.00	17.84	0.006
13	3-己烯酸乙酯 3-Hexenoic acid, ethyl ester	1.26±3.21b	0.00	13.55	19.24±16.07a	6.44	72.28	19.89±11.31a	0.00	62.61	13.46±14.30	0.00	72.28	0.000
14	邻苯二甲酸二甲酯 Dimethyl phthalate	0.63±1.96b	0.00	8.10	0.07±0.38b	0.00	2.06	3.69±9.30a	0.00	34.31	1.46±5.66	0.00	34.31	0.027
	其他 Other classes	976.53±301.57a	548.39	1581.79	494.26±131.73b	244.70	859.94	454.19±147.36b	159.87	877.88	641.66±315.17	159.87	1581.79	0.000
	总含量 Total content	4057.25±1109.53a	2683.21	6592.46	3256.11±794.29b	1884.65	5212.14	3150.43±886.03b	1267.28	5024.89	3487.93±1014.04	1267.28	6592.46	0.000

表1

图1

表2

不同产地白牡丹茶的PLS-DA和OPLS-DA模型的VIP值"

序号 Number	PLS-DA		OPLS-DA
序号 Number	香气物质 Aroma substance	VIP值 VIP- value	香气物质 Aroma substance	VIP值 VIP- value
1	3-壬烯-5-酮 3-Nonen-5-one	2.03	3-壬烯-5-酮 3-Nonen-5-one	1.52
2	反式-橙花叔醇 1,6,10-Dodecatrien-3-ol, 3,7,11-trimethyl-, (E)-	1.65	反式-橙花叔醇 1,6,10-Dodecatrien-3-ol, 3,7,11-trimethyl-, (E)-	1.52
3	β-紫罗酮 Ionone <(E)-, beta->	1.56	丙位壬内酯 2(3H)-Furanone, dihydro-5-pentyl-	1.45
4	3-羟基-5,6-环氧-β-紫罗兰酮 3-Buten-2-one, 4-(4-hydroxy-2,2,6-trimethyl-7-oxabicyclo [4.1.0]hept-1-yl)-	1.49	苯甲醛 Benzaldehyde	1.43
5	正己醇 Hexanol <n->	1.47	β-紫罗酮 Ionone <(E)-, beta->	1.41
6	壬醛 Nonanal	1.41	6-甲基-5-乙基-3-庚烯-2-酮 (R,S)-5-Ethyl-6-methyl-3E-hepten-2-one	1.39
7	丙位壬内酯 2(3H)-Furanone, dihydro-5-pentyl-	1.39	3-羟基-5,6-环氧-β-紫罗兰酮 3-Buten-2-one, 4-(4-hydroxy-2,2,6-trimethyl-7-oxabicyclo [4.1.0]hept-1-yl)-	1.38
8	辛酸乙酯 Octanoate <ethyl->	1.35	反式-2-壬醛 Non-2(E)-enal	1.37
9	8-十一烯醛 Undec-8-enal <cis->	1.35	8-十一烯醛 Undec-8-enal <cis->	1.36
10	庚醛 Enanthaldehyde	1.33	二氢猕猴桃内酯 2(4H)-Benzofuranone, 5,6,7,7a-tetrahydro-4,4,7a-trimethyl-, (R)-	1.33
11	二氢猕猴桃内酯 2(4H)-Benzofuranone, 5,6,7,7a-tetrahydro-4,4,7a-trimethyl-, (R)-	1.33	辛酸乙酯 Octanoate <ethyl->	1.33
12	2,6-二甲基环己醇 Cyclohexanol, 2,6-dimethyl-	1.32	3-己烯酸乙酯 3-Hexenoic acid, ethyl ester	1.32
13	苯甲醛 Benzaldehyde	1.32	正己醛 Capronaldehyde	1.32
14	紫罗兰酮 alpha.-Ionone	1.30	庚醛 Enanthaldehyde	1.30
15	6-甲基-5-乙基-3-庚烯-2-酮 (R,S)-5-Ethyl-6-methyl-3E-hepten-2-one	1.29	甲基庚烯酮 Hept-5-en-2-one <6-methyl->	1.30
16	2-丁基-1-辛醇 1-Octanol, 2-butyl-	1.26	癸醛 Decanal	1.30
17	反式-2-壬醛 Non-2(E)-enal	1.25	2-辛烯醛 Oct-2(E)-enal	1.30
18	壬酸乙酯 Nonanoic acid, ethyl ester	1.22	1-辛烯-3-醇 1-Octen-3-ol	1.30
19	2-异丙基-5-氧代己醛 2-Isopropyl-5-oxohexanal	1.22	2,6-二甲基环己醇 Cyclohexanol, 2,6-dimethyl-	1.29
20	2-辛烯醛 Oct-2(E)-enal	1.22	3,5-辛二烯-2-酮 3,5-Octadien-2-one	1.29
21	环癸酮 Cyclodecanone	1.22	2-丁基-1-辛醇 1-Octanol, 2-butyl-	1.27
22	茉莉酮 2-Cyclopenten-1-one, 3-methyl-2-(2-pentenyl)-, (Z)-	1.21	壬醛 Nonanal	1.26
23	甲基庚烯酮 Hept-5-en-2-one <6-methyl->	1.20	2-异丙基-5-氧代己醛 2-Isopropyl-5-oxohexanal	1.24
24	3-己烯酸乙酯 3-Hexenoic acid, ethyl ester	1.20	紫罗兰酮 alpha.-Ionone	1.20
25	3,5-辛二烯-2-酮 3,5-Octadien-2-one	1.17	正己醇 Hexanol <n->	1.20
26	1-辛烯-3-醇 1-Octen-3-ol	1.17	(E,E)-2,4-庚二烯醛 Heptandienal <2,4-trans,trans->	1.19
27	反式-2-癸烯醛 2-Decenal, (E)-	1.13	一氧化二芳樟醇 (3R,6S)-2,2,6-Trimethyl-6-vinyltetrahydro-2H-pyran-3-ol	1.15
28	癸醛 Decanal	1.13	氧化cis-芳樟醇 Linalool oxide <cis->	1.14
29	正己醛 Capronaldehyde	1.10	水杨酸甲酯 Methyl salicylate	1.10
30	正己酸乙酯 Hexanoic acid, ethyl ester	1.10	正己酸乙酯 Hexanoic acid, ethyl ester	1.10
31	(E,E)-2,4-庚二烯醛 Heptandienal <2,4-trans,trans->	1.09	正辛醛 Octanal	1.09
32	乙酸苄酯 Benzyl acetate	1.08	壬酸乙酯 Nonanoic acid, ethyl ester	1.07
33	反-2-,顺-6-壬二烯醛 Nona-2(E),6(E)-dienal	1.07	3-辛烯-2-酮 Oct-3(E)-en-2-one	1.06
34	一氧化二芳樟醇 (3R,6S)-2,2,6-Trimethyl-6-vinyltetrahydro-2H-pyran-3-ol	1.07	乙基吡咯2-甲醛 1H-Pyrrole-2-carboxaldehyde, 1-ethyl-	1.05
35	氧化cis-芳樟醇 Linalool oxide <cis->	1.06	氧化trans-芳樟醇 Linalool oxide <trans->	1.04
36	邻苯二甲酸二甲酯 Dimethyl phthalate	1.01	苯甲醇 Benzyl alcohol	1.04
37	橙花醇 Nerol	1.01	环癸酮 Cyclodecanone	1.03
38	乙酸香叶酯 Geranyl acetate	1.00	2-己烯醛 2-Hexenal	1.03
39	1-十七烷醇 Heptadecyl alcohol	0.99	香叶醇 Geraniol	1.03
40	氧化trans-芳樟醇 Linalool oxide <trans->	0.98	香叶酸甲酯 trans-Geranic acid methyl ester	1.02
41	香叶醇 Geraniol	0.98	反式-2-癸烯醛 2-Decenal, (E)-	1.02
42	3-辛烯-2-酮 Oct-3(E)-en-2-one	0.96	香叶醛 Geranial	1.02
43	乙基吡咯2-甲醛 1H-Pyrrole-2-carboxaldehyde, 1-ethyl-	0.95	反式-3-壬烯-2-酮 trans-3-Nonen-2-one	1.02
44	反式-3-壬烯-2-酮 trans-3-Nonen-2-one	0.95	反-2-,顺-6-壬二烯醛 Nona-2(E),6(E)-dienal	1.01
45	2,15-十六烷二酮 2,15-Hexadecanedione	0.95	乙酸苄酯 Benzyl acetate	1.01
46	水杨酸甲酯 Methyl salicylate	0.94	橙花醇 Nerol	1.00
47	苯甲醇 Benzyl alcohol	0.93	6-甲基-6-（5-甲基呋喃-2-基）庚酮 6-Methyl-6-(5-methylfuran-2-yl)heptan-2-one	0.98
48	（Z）-香叶酸 Neric acid	0.93	乙酸香叶酯 Geranyl acetate	0.96
49	正辛醛 Octanal	0.91	雪松醇 Cedrol	0.94
50	正壬酸 Nonanoic acid	0.90	茉莉酮 2-Cyclopenten-1-one, 3-methyl-2-(2-pentenyl)-, (Z)-	0.94
51	雪松醇 Cedrol	0.88	γ-己内酯 Hexalactone <gamma->	0.94
52	香叶酸甲酯 trans-Geranic acid methyl ester	0.88	邻苯二甲酸二甲酯 Dimethyl phthalate	0.90
53	苯乙醛 Phenylacetaldehyde	0.88	2-丁基-2-辛烯醛 2-Octenal, 2-butyl-	0.90
54	香叶基丙酮 5,9-Undecadien-2-one, 6,10-dimethyl-, (E)-	0.86	1-十七烷醇 Heptadecyl alcohol	0.87
55	2-己烯醛 2-Hexenal	0.86	香叶基丙酮 5,9-Undecadien-2-one, 6,10-dimethyl-, (E)-	0.87
56	2-丁基-2-辛烯醛 2-Octenal, 2-butyl-	0.83	橙花醛 Neral	0.85
57	芳樟醇 Linalool	0.83	2,15-十六烷二酮 2,15-Hexadecanedione	0.84
58	香叶醛 Geranial	0.82	α-松油醇 L-.alpha.-Terpineol	0.83
59	6-甲基-6-（5-甲基呋喃-2-基）庚酮 6-Methyl-6-(5-methylfuran-2-yl)heptan-2-one	0.82	（Z）-香叶酸 Neric acid	0.82
60	氮杂环辛酮 2-Azacyclooctanone	0.79	5-甲基-1,2,5,6-四氢吡啶-2-酮 1,2,5,6-Tetrahydropyridin-2-one, 5-methyl-	0.79
61	γ-己内酯 Hexalactone <gamma->	0.79	苯乙醛 Phenylacetaldehyde	0.78
62	异丁酸香叶酯 Geranyl isobutyrate	0.79	异丁酸香叶酯 Geranyl isobutyrate	0.78
63	冰醋酸 Acetic acid	0.79	苯乙醇 Phenethyl alcohol	0.78
64	甲酸叶醇酯 Hex-3(Z)-enyl formate>	0.77	1-癸烯-3-醇 Decene <3-hydroxy->	0.78
65	3-乙基-4-甲基吡咯-2,5-二酮 1H-Pyrrole-2,5-dione, 3-ethyl-4-methyl-	0.73	氮杂环辛酮 2-Azacyclooctanone	0.77
66	α-松油醇 L-.alpha.-Terpineol	0.72	芳樟醇 Linalool	0.77
67	1-癸烯-3-醇 Decene <3-hydroxy->	0.72	5,6-环氧-β-紫罗兰酮 3-Buten-2-one, 4-(2,2,6-trimethyl-7-oxabicyclo[4.1.0]hept-1-yl)-	0.77
68	橙花醛 Neral	0.72	冰醋酸 Acetic acid	0.77
69	5,6-环氧-β-紫罗兰酮 3-Buten-2-one, 4-(2,2,6-trimethyl-7-oxabicyclo[4.1.0]hept-1-yl)-	0.69	3-乙基-4-甲基吡咯-2,5-二酮 1H-Pyrrole-2,5-dione, 3-ethyl-4-methyl-	0.76
70	苯乙醇 Phenethyl alcohol	0.69	反式-2-己烯醛 Hex-2(E)-enal	0.74
71	反式-2-己烯醛 Hex-2(E)-enal	0.68	甲酸叶醇酯 Hex-3(Z)-enyl formate>	0.74
72	辛酸 Octanoic acid	0.66	辛酸 Octanoic acid	0.68
73	2-十五烷酮 2-Pentadecanone	0.65	叶醇 Hex-3(Z)-enol	0.67
74	叶醇 Hex-3(Z)-enol	0.65	正壬酸 Nonanoic acid	0.63
75	2-丁基-2-庚烯醛 2-Butylhept-2-enal	0.65	(E,E)-2,4-壬二烯醛 2,4-Nonadienal, (E,E)-	0.61
76	3,4,4-三甲基环戊-2-烯酮 2-Cyclopenten-1-one, 3,4,4-trimethyl-	0.62	1-十六烷醇 1-Hexadecanol	0.60
77	5-甲基-1,2,5,6-四氢吡啶-2-酮 1,2,5,6-Tetrahydropyridin-2-one, 5-methyl-	0.61	3-羟基对薄荷-3-烯-2-酮 2-Cyclohexen-1-one, 2-hydroxy-6-methyl-3-(1-methylethyl)-	0.57
78	18-十九烯-1-醇 18-Nonadecen-1-ol	0.59	2-丁基-2-庚烯醛 2-Butylhept-2-enal	0.57
79	(E,E)-2,4-壬二烯醛 2,4-Nonadienal, (E,E)-	0.59	3,4,4-三甲基环戊-2-烯酮 2-Cyclopenten-1-one, 3,4,4-trimethyl-	0.54
80	2-氧代环己烷丙醛 3-(2-Oxocyclohexyl)propionaldehyde	0.54	3-异亚丙基-5-甲基-4-己烯-2-酮 3-Isopropylidene-5-methyl-hex-4-en-2-one	0.54
81	3-异亚丙基-5-甲基-4-己烯-2-酮 3-Isopropylidene-5-methyl-hex-4-en-2-one	0.50	18-十九烯-1-醇 18-Nonadecen-1-ol	0.54
82	3-羟基对薄荷-3-烯-2-酮 2-Cyclohexen-1-one, 2-hydroxy-6-methyl-3-(1-methylethyl)-	0.50	2-氧代环己烷丙醛 3-(2-Oxocyclohexyl)propionaldehyde	0.51
83	反式-3-己烯酸 3-Hexenoic acid, (E)-	0.49	己酸 Hexanoic acid	0.50
84	1-十六烷醇 1-Hexadecanol	0.46	2-十五烷酮 2-Pentadecanone	0.44
85	己酸 Hexanoic acid	0.45	2-壬酮 Heptyl methyl ketone	0.43
86	2-壬酮 Heptyl methyl ketone	0.44	反式-3-己烯酸 3-Hexenoic acid, (E)-	0.40
87	反式-2-己烯酸 2-Hexenoic acid	0.43	反式-2-己烯酸 2-Hexenoic acid	0.40
88	3,5-辛二烯-2-醇 3,5-Octadien-2-ol	0.40	3,5-辛二烯-2-醇 3,5-Octadien-2-ol	0.36
89	反-2,6-壬二醛 Nona-2(E),6(Z)-dienal	0.38	二氢芳樟醇 1,5,7-Octatrien-3-ol, 3,7-dimethyl-	0.36
90	二氢芳樟醇 1,5,7-Octatrien-3-ol, 3,7-dimethyl-	0.35	反-2,6-壬二醛 Nona-2(E),6(Z)-dienal	0.33
91	（E）-香叶酸 2,6-Octadienoic acid, 3,7-dimethyl-, (E)-	0.33	（E）-香叶酸 2,6-Octadienoic acid, 3,7-dimethyl-, (E)-	0.17

表2

表3

图2

图3

表4

图4

表5

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函数 Function	特征值 Eigen value	方差贡献率 Variance contribution (%)	累积方差贡献率 Cumulative variance contribution (%)	典型相关性 Canonical correlation	Wilks’Lambda
1	19.806	72.300	72.300	0.976	0.006
2	7.606	27.700	100.000	0.940	0.116

不同生境白牡丹茶叶香气特征分析及产地判别

Analysis of Aroma Characteristics and Origin Discrimination of White Peony Tea in Different Origins

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判别模型 Discriminant model	不同产地 Different producing areas	预测组成员（个）Forecasting group member			准确率 Accuracy (%)
判别模型 Discriminant model	不同产地 Different producing areas	ZH	SX	FA	准确率 Accuracy (%)
PLS-DA	ZH	30	0	0	100.00
	SX	0	29	1	96.67
	FA	0	0	30	100.00
OPLS-DA	ZH	30	0	0	100.00
	SX	0	27	3	90.00
	FA	0	0	30	100.00

验证方法 Verification method	不同产地 Different producing areas	预测组成员 Forecasting group member			合计 Total (%)
验证方法 Verification method	不同产地 Different producing areas	ZH (%)	SX (%)	FA (%)	合计 Total (%)
初始 Inception	ZH	100.00	0.00	0.00	100.00
	SX	0.00	100.00	0.00	100.00
	FA	0.00	0.00	100.00	100.00
交叉验证 Cross verification	ZH	100.00	0.00	0.00	100.00
	SX	0.00	100.00	0.00	100.00
	FA	0.00	0.00	100.00	100.00

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