基于多组分含量分析和指纹图谱的生稻芽质量评价研究

doi:10.3969/j.issn.1004-1524.20230644

浙江农业学报 ›› 2024, Vol. 36 ›› Issue (4): 760-772.DOI: 10.3969/j.issn.1004-1524.20230644

基于多组分含量分析和指纹图谱的生稻芽质量评价研究

赵越¹(), 胡啸峰¹, 张双双¹, 李蕾¹, 赵永钦¹^,^*(), 王如伟²^,^*()

1.浙江中医药大学药学院,浙江杭州 311400
2.扬子江药业集团有限公司,江苏泰州 225321

收稿日期:2023-05-17 出版日期:2024-04-25 发布日期:2024-04-29
作者简介:赵越(1997—),女,辽宁沈阳人,硕士研究生,研究方向为中药分析。E-mail:3446105532@qq.com
通讯作者: *赵永钦,E-mail:zhaoyongqin2010cau@163.com; 王如伟,E-mail: wangrw@conbagroup.com

Quality evaluation of Oryzae fructus germinatus based on multi-component content analysis and fingerprint analysis

ZHAO Yue¹(), HU Xiaofeng¹, ZHANG Shuangshuang¹, LI Lei¹, ZHAO Yongqin¹^,^*(), WANG Ruwei²^,^*()

1. College of Pharmaceutical Science, Zhejiang Chinese Medical University, Hangzhou 311400, China
2. Yangzijiang Pharmaceutical Group Co., Ltd., Taizhou 225321, Jiangsu, China

Received:2023-05-17 Online:2024-04-25 Published:2024-04-29
Contact: ZHAO Yongqin,WANG Ruwei

摘要/Abstract

摘要：

基于HPLC进行多成分含量测定和指纹图谱技术,结合化学模式识别法对生稻芽的质量水平进行评价,为生稻芽后续深入研究与开发提供依据。采用HPLC法建立18批不同批次生稻芽指纹图谱,通过对照品指认出生稻芽中3种主要酚酸类成分,并测定了样品中3种酚酸的含量。通过中药色谱指纹图谱相似度评价系统(2012版)和IBM SPSS Statistics 23进行相似度评价、聚类分析、主成分分析和因子载荷分析。18批生稻芽指纹图谱共标定了6个共有峰,指认的3个共有峰为香草酸、对香豆酸和阿魏酸,指纹图谱相似度范围为0.868~0.995,具有较好的一致性。样品中香草酸、对香豆酸和阿魏酸含量分别为16.70~54.10 μg·g^-1、27.00~49.54 μg·g^-1、23.09~50.81 μg·g^-1。聚类分析将样品分为3类,18批样品中16批聚为一类,来自浙江杭州(S14)、浙江杭州(S17)的样品分别聚为一类,主成分分析用两个主成分进行综合评价,综合得分大于1的前2位分别为S14、S17,18批样品中3种酚酸成分的总含量与主成分分析综合得分存在明显的相关性。建立的生稻芽质量评价方法操作简便、结果可靠,香草酸、对香豆酸和阿魏酸3个主要酚酸可以作为生稻芽质量评价的指标性成分。

关键词: 生稻芽, 含量测定, 香草酸, 对香豆酸, 阿魏酸, 指纹图谱

Abstract:

Based on HPLC multi-component content determination and fingerprint technology, combined with chemical pattern recognition method, the quality level of Oryzae fructus germinatus was evaluated, which provided a basis for further research and development of Oryzae fructus germinatus. The fingerprints of 18 batches of Oryzae fructus germinatus were established by HPLC. Three main phenolic acids in Oryzae fructus germinatus were identified by reference substances, and the contents of three phenolic acids in samples were determined. Similarity evaluation, cluster analysis, principal component analysis and factor loading analysis were performed by the Similarity Evaluation System for Chromatographic Fingerprint of Traditional Chinese Medicine (2012 Edition). A total of 6 common peaks were identified in the fingerprints of 18 batches of Oryzae fructus germinatus, and 3 common peaks were identified as vanillic acid, p-coumaric acid and ferulic acid. The similarity of the fingerprints ranged from 0.868 to 0.995, with good consistency. The contents of vanillic acid, p-coumaric acid and ferulic acid in the samples were 16.70-54.10 μg·g^-1, 27.00-49.54 μg·g^-1 and 23.09-50.81 μg·g^-1, respectively. The samples were divided into three categories by cluster analysis, 16 batches of 18 batches of samples were clustered into one category, the samples of Hangzhou (S14) in Zhejiang and Hangzhou (S17) in Zhejiang were clustered into one category respectively. The principal component analysis was evaluated by two principal components. The top two comprehensive scores greater than 1 were S14 and S17, respectively. There was a significant correlation between the total content of three phenolic acids in 18 batches of samples and the comprehensive score of principal component analysis. The established quality evaluation method of Oryzae fructus germinatus is simple and reliable. Vanillic acid, p-coumaric acid and ferulic acid can be used as index components for quality evaluation of Oryzae fructus germinatus.

Key words: Oryzae fructus germinatus, content determination, vanillic acid, p-coumaric acid, ferulic acid, fingerprints

中图分类号:

S567

赵越, 胡啸峰, 张双双, 李蕾, 赵永钦, 王如伟. 基于多组分含量分析和指纹图谱的生稻芽质量评价研究[J]. 浙江农业学报, 2024, 36(4): 760-772.

ZHAO Yue, HU Xiaofeng, ZHANG Shuangshuang, LI Lei, ZHAO Yongqin, WANG Ruwei. Quality evaluation of Oryzae fructus germinatus based on multi-component content analysis and fingerprint analysis[J]. Acta Agriculturae Zhejiangensis, 2024, 36(4): 760-772.

图/表 28

参考文献 26

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编号 No.	批号 Batch No.	产地 Habitat	编号 No.	批号 Batch No.	产地 Habitat
S1	202206	江苏省宿迁市Suqian City, Jiangsu Province	S10	202215	浙江省江山市Jiangshan City, Zhejiang Province
S2	202207	江苏省盐城市Yancheng City, Jiangsu Province	S11	202204	浙江省杭州市Hangzhou City, Zhejiang Province
S3	202208	浙江省磐安县Pan’an County, Zhejiang Province	S12	202205	浙江省杭州市Hangzhou City, Zhejiang Province
S4	202209	安徽省五河县Wuhe County, Anhui Province	S13	202206	浙江省杭州市Hangzhou City, Zhejiang Province
S5	202210	安徽省安庆市Anqing City, Anhui Province	S14	202207	浙江省杭州市(自育)Hangzhou City (self-breeding), Zhejiang Province
S6	202211	江苏省淮安市Huai’an City, Jiangsu Province	S15	202208	浙江省杭州市(自育)Hangzhou City(self-breeding), Zhejiang Province
S7	202212	浙江省开化县Kaihua County, Zhejiang Province	S16	202209	浙江省杭州市(自育)Hangzhou City (self-breeding), Zhejiang Province
S8	202213	河北省顺平县Shunping County, Hebei Province	S17	202210	浙江省杭州市(自育)Hangzhou City (self-breeding), Zhejiang Province
S9	202214	河北省无极县Wuji County, Hebei Province	S18	202211	浙江省杭州市(自育)Hangzhou City (self-breeding), Zhejiang Province

编号 No.	批号 Batch No.	产地 Habitat	编号 No.	批号 Batch No.	产地 Habitat
S1	202206	江苏省宿迁市Suqian City, Jiangsu Province	S10	202215	浙江省江山市Jiangshan City, Zhejiang Province
S2	202207	江苏省盐城市Yancheng City, Jiangsu Province	S11	202204	浙江省杭州市Hangzhou City, Zhejiang Province
S3	202208	浙江省磐安县Pan’an County, Zhejiang Province	S12	202205	浙江省杭州市Hangzhou City, Zhejiang Province
S4	202209	安徽省五河县Wuhe County, Anhui Province	S13	202206	浙江省杭州市Hangzhou City, Zhejiang Province
S5	202210	安徽省安庆市Anqing City, Anhui Province	S14	202207	浙江省杭州市(自育)Hangzhou City (self-breeding), Zhejiang Province
S6	202211	江苏省淮安市Huai’an City, Jiangsu Province	S15	202208	浙江省杭州市(自育)Hangzhou City(self-breeding), Zhejiang Province
S7	202212	浙江省开化县Kaihua County, Zhejiang Province	S16	202209	浙江省杭州市(自育)Hangzhou City (self-breeding), Zhejiang Province
S8	202213	河北省顺平县Shunping County, Hebei Province	S17	202210	浙江省杭州市(自育)Hangzhou City (self-breeding), Zhejiang Province
S9	202214	河北省无极县Wuji County, Hebei Province	S18	202211	浙江省杭州市(自育)Hangzhou City (self-breeding), Zhejiang Province

化合物Compound	回归方程Regression equation	R²	线性范围Linear range/(μg·mL^-1)
香草酸Vanillic acid	Y=13 737 081.496 7X-2 022.692 8	0.999 7	4.00~100.00
对香豆酸p-Coumaric acid	Y=63 168 370.310 5X-15 012.660 5	0.999 8	3.98~99.60
阿魏酸Ferulic acid	Y=39 356 540.307 6X+620.810 9	0.999 8	4.01~100.40

化合物Compound	回归方程Regression equation	R²	线性范围Linear range/(μg·mL^-1)
香草酸Vanillic acid	Y=13 737 081.496 7X-2 022.692 8	0.999 7	4.00~100.00
对香豆酸p-Coumaric acid	Y=63 168 370.310 5X-15 012.660 5	0.999 8	3.98~99.60
阿魏酸Ferulic acid	Y=39 356 540.307 6X+620.810 9	0.999 8	4.01~100.40

组别 Group	香草酸 Vanillic acid	对香豆酸 p-Coumaric acid	阿魏酸 Ferulic acid
1	414 765	1 890 189	1 162 587
2	415 514	1 895 390	1 166 294
3	398 817	1 829 376	1 128 955
4	400 029	1 845 869	1 141 046
5	402 949	1 864 798	1 153 648
6	408 667	1 894 845	1 173 068
平均值Average value	406 790	1 870 078	1 154 266
RSD/%	1.79	1.49	1.44

基于多组分含量分析和指纹图谱的生稻芽质量评价研究

Quality evaluation of Oryzae fructus germinatus based on multi-component content analysis and fingerprint analysis

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参考文献 26

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本文评价

组别 Group	香草酸 Vanillic acid	对香豆酸 p-Coumaric acid	阿魏酸 Ferulic acid
1	38.5	13.4	10.0
2	37.9	13.5	10.1
3	38.2	13.5	10.2
4	39.2	13.9	10.3
5	38.4	13.5	10.0
6	36.2	13.3	10.1
平均含量	38.0	13.5	10.1
Average content/ (μg·g^-1)
RSD/%	2.68	1.58	1.17

时间 Time	香草酸 Vanillic acid	对香豆酸 p-Coumaric acid	阿魏酸 Ferulic acid
0 h	421 085	1 922 349	1 182 387
2 h	418 486	1 912 023	1 175 939
4 h	417 111	1 904 528	1 171 561
8 h	419 526	1 900 312	1 165 442
12 h	416 421	1 897 620	1 166 120
24 h	417 415	1 901 480	1 168 441
平均值	418 340	1 906 385	1 171 648
Average value
RSD/%	0.41	0.48	0.55

化合物 Compound	原含量 Original content/(μg·g^-1)	加入量 Amount added/μg	测定值 Measured value/μg	回收率 Recovery rate/%	平均回收率 Average recovery rate/%	RSD/%
香草酸	95.3	76.1	170.5	98.82	99.37	1.79
Vanillic acid	95.2	76.1	170.0	98.33
	95.1	76.1	171.4	100.31
	95.1	95.2	190.0	99.71
	95.0	95.2	188.2	97.98
	95.2	95.2	193.0	102.81
	95.3	114.2	207.4	98.16
	95.2	114.2	206.1	97.14
	95.5	114.2	210.9	101.09
对香豆酸	33.8	27.1	61.1	100.90	99.42	2.22
p-Coumaric	33.9	27.1	61.5	101.97
acid	33.7	27.1	61.0	101.08
	33.7	33.9	67.7	100.46
	33.9	33.9	67.3	98.70
	33.6	33.9	68.0	101.50
	33.8	40.7	73.0	96.38
	33.9	40.7	73.3	96.96
	34.1	40.7	73.5	96.90
阿魏酸	25.5	20.3	46.7	104.43	102.55	1.77
Ferulic acid	25.4	20.3	46.5	103.94
	25.3	20.3	46.6	104.92
	25.2	25.4	51.1	101.96
	25.4	25.4	51.8	103.97
	25.3	25.4	51.2	101.96
	25.3	30.5	55.8	100.21
	25.4	30.5	55.9	100.11
	25.2	30.5	56.1	101.48

批次 Batch	香草酸 Vanillic acid	对香豆酸 p-Coumaric acid	阿魏酸 Ferulic acid
S1	45.80	45.01	43.57
S2	37.07	47.96	45.71
S3	37.66	49.51	47.21
S4	35.60	41.84	23.76
S5	18.76	44.47	25.57
S6	21.19	47.33	27.16
S7	37.07	47.96	45.71
S8	31.41	38.27	26.85
S9	16.70	27.00	23.09
S10	34.32	27.96	38.07
S11	54.10	37.11	50.81
S12	52.07	49.33	28.85
S13	49.86	45.20	26.93
S14	51.97	49.54	27.32
S15	40.03	44.06	47.34
S16	40.73	34.46	28.79
S17	49.82	38.29	35.70
S18	52.28	35.56	50.73

项目 Item	编号 Number	峰1 Peak 1	峰2 Peak 2	峰3 Peak 3	峰4 Peak 4	峰5 Peak 5(S)	峰6 Peak 6
保留时间	1	5.067	16.737	20.549	21.594	23.492	26.124
Retention time/min	2	5.082	16.755	20.563	21.609	23.514	26.150
	3	5.070	16.740	20.566	21.595	23.502	26.135
	4	5.090	16.750	20.537	21.599	23.492	26.127
	5	5.102	16.773	20.642	21.635	23.562	26.200
	6	5.085	16.738	20.583	21.600	23.510	26.145
平均值Average value		5.082	16.748	20.573	21.605	23.512	26.146
RSD/%		0.254	0.082	0.180	0.071	0.111	0.106

项目 Item	编号 Number	峰1 Peak 1	峰2 Peak 2	峰3 Peak 3	峰4 Peak 4	峰5 Peak 5(S)	峰6 Peak 6
相对保留时间	1	0.215	0.712	0.874	0.919	1	1.112
Relative retention	2	0.216	0.712	0.874	0.918	1	1.112
time/min	3	0.215	0.712	0.875	0.918	1	1.112
	4	0.216	0.713	0.874	0.919	1	1.112
	5	0.216	0.711	0.876	0.918	1	1.111
	6	0.216	0.711	0.875	0.918	1	1.112
平均值Average value		0.216	0.712	0.875	0.918	1	1.112
RSD/%		0.171	0.053	0.071	0.041	0	0.005

项目 Item	编号 Number	峰1 Peak 1	峰2 Peak 2	峰3 Peak 3	峰4 Peak 4	峰5 Peak 5(S)	峰6 Peak 6
峰面积	1	213 468	488 502	159 659	89 574	812 119	500 057
Peak area/	2	213 530	489 567	159 222	88 410	810 495	498 870
mAU·s	3	216 244	496 321	157 782	89 800	791 607	499 392
	4	216 103	487 900	156 783	86 079	811 611	499 388
	5	216 270	488 242	155 988	87 133	808 610	494 233
	6	228 800	510 046	156 687	89 909	797 246	492 814
平均值Average value		217 402	493 429	157 686	88 484	805 281	497 459
RSD/%		2.639	1.769	0.938	1.791	1.077	0.624

项目 Item	编号 Number	峰1 Peak 1	峰2 Peak 2	峰3 Peak 3	峰4 Peak 4	峰5 Peak 5(S)	峰6 Peak 6
相对峰面积	1	0.986	1.000	1.023	1.028	1.004	1.011
Relative peak area	2	0.987	1.002	1.020	1.016	1.002	1.009
	3	0.999	1.016	1.011	1.030	0.978	1.010
	4	0.998	0.999	1.005	0.987	1.003	1.010
	5	1.000	1.000	1.000	1.000	1.000	1.000
	6	1.057	1.044	1.004	1.031	0.985	0.997
平均值Average value		1.005	1.010	1.010	1.015	0.995	1.006
RSD/%		2.638	1.769	0.938	1.790	1.077	0.624

项目 Item	编号 Number	峰1 Peak 1	峰2 Peak 2	峰3 Peak 3	峰4 Peak 4	峰5 Peak 5(S)	峰6 Peak 6
保留时间	1	5.039	16.637	20.797	21.829	23.764	26.422
Retention time/min	2	5.125	16.604	20.763	21.79	23.726	26.382
	3	5.116	16.616	20.771	21.797	23.731	26.389
	4	5.111	16.632	20.807	21.815	23.756	26.419
	5	5.195	16.571	20.747	21.742	23.679	26.343
	6	5.113	16.879	20.773	21.755	23.695	26.358
平均值Average value		5.116	16.656	20.776	21.788	23.725	26.385
RSD/%		0.968	0.669	0.106	0.154	0.140	0.120

项目 Item	编号 Number	峰1 Peak 1	峰2 Peak 2	峰3 Peak 3	峰4 Peak 4	峰5 Peak 5(S)	峰6 Peak 6
相对保留时间	1	0.212	0.700	0.875	0.918	1	1.111
Relative retention time/min	2	0.216	0.699	0.875	0.918	1	1.111
	3	0.215	0.700	0.875	0.918	1	1.112
	4	0.215	0.700	0.875	0.918	1	1.112
	5	0.219	0.699	0.876	0.918	1	1.112
	6	0.215	0.712	0.876	0.918	1	1.112
平均值Average value		0.215	0.702	0.875	0.918	1	1.112
RSD/%		0.991	0.655	0.066	0.017	0	0.021

项目 Item	编号 Number	峰1 Peak 1	峰2 Peak 2	峰3 Peak 3	峰4 Peak 4	峰5 Peak 5(S)	峰6 Peak 6
峰面积	1	350 670	527 058	115 228	98 474	836 940	395 037
Peak area/	2	346 678	518 715	110 864	102 729	839 320	396 380
mAU·s	3	359 496	523 796	114 422	104 091	841 986	404 789
	4	345 645	537 092	117 761	105 578	868 834	407 918
	5	360 739	525 990	116 339	101 141	839 011	397 903
	6	338 446	495 354	114 667	102 550	829 042	399 153
平均值Average value		350 279	521 334	114 880	102 427	842 522	400 197
RSD/%		2.45	2.69	2.02	2.39	1.61	1.26

项目 Item	编号 Number	峰1 Peak 1	峰2 Peak 2	峰3 Peak 3	峰4 Peak 4	峰5 Peak 5(S)	峰6 Peak 6
峰面积	1	350 670	527 058	115 228	98 474	836 940	395 037
Peak area/	2	346 678	518 715	110 864	102 729	839 320	396 380
mAU·s	3	359 496	523 796	114 422	104 091	841 986	404 789
	4	345 645	537 092	117 761	105 578	868 834	407 918
	5	360 739	525 990	116 339	101 141	839 011	397 903
	6	338 446	495 354	114 667	102 550	829 042	399 153
平均值Average value		350 279	521 334	114 880	102 427	842 522	400 197
RSD/%		2.45	2.69	2.02	2.39	1.61	1.26

项目 Item	编号 Number	峰1 Peak 1	峰2 Peak 2	峰3 Peak 3	峰4 Peak 4	峰5 Peak 5(S)	峰6 Peak 6
保留时间	S1	5.028	16.786	20.626	21.629	23.561	26.204
Retention time/min	S2	5.128	16.798	20.645	21.646	23.588	26.235
	S3	5.095	16.781	20.579	21.593	23.514	26.152
	S4	5.093	16.782	20.591	21.593	23.541	26.146
	S5	5.062	16.757	20.585	21.581	23.541	26.151
	S6	5.073	16.765	20.617	21.592	23.533	26.172
	S7	5.080	16.756	20.601	21.586	23.592	26.166
	S8	5.084	16.757	20.598	21.582	23.522	26.157
	S9	5.087	16.746	20.577	21.559	23.480	26.106
	S10	5.083	16.755	20.612	21.576	23.512	26.150
	S11	5.082	16.751	20.586	21.566	23.503	26.140
	S12	5.085	16.753	20.568	21.563	23.490	26.120
	S13	5.079	16.749	20.562	21.556	23.485	26.116
	S14	5.086	16.743	20.557	21.551	23.483	26.113
	S15	5.139	16.880	20.787	21.718	23.663	26.324
	S16	5.216	16.899	20.849	21.750	23.703	26.371
	S17	5.023	16.796	20.612	21.615	23.557	26.204
	S18	5.083	16.768	20.571	21.583	23.508	26.147
平均值Average value		5.089	16.779	20.617	21.602	23.543	26.176
RSD/%		0.819	0.260	0.374	0.250	0.260	0.271

项目 Item	编号 Number	峰1 Peak 1	峰2 Peak 2	峰3 Peak 3	峰4 Peak 4	峰5 Peak 5(S)	峰6 Peak 6
保留时间	S1	5.028	16.786	20.626	21.629	23.561	26.204
Retention time/min	S2	5.128	16.798	20.645	21.646	23.588	26.235
	S3	5.095	16.781	20.579	21.593	23.514	26.152
	S4	5.093	16.782	20.591	21.593	23.541	26.146
	S5	5.062	16.757	20.585	21.581	23.541	26.151
	S6	5.073	16.765	20.617	21.592	23.533	26.172
	S7	5.080	16.756	20.601	21.586	23.592	26.166
	S8	5.084	16.757	20.598	21.582	23.522	26.157
	S9	5.087	16.746	20.577	21.559	23.480	26.106
	S10	5.083	16.755	20.612	21.576	23.512	26.150
	S11	5.082	16.751	20.586	21.566	23.503	26.140
	S12	5.085	16.753	20.568	21.563	23.490	26.120
	S13	5.079	16.749	20.562	21.556	23.485	26.116
	S14	5.086	16.743	20.557	21.551	23.483	26.113
	S15	5.139	16.880	20.787	21.718	23.663	26.324
	S16	5.216	16.899	20.849	21.750	23.703	26.371
	S17	5.023	16.796	20.612	21.615	23.557	26.204
	S18	5.083	16.768	20.571	21.583	23.508	26.147
平均值Average value		5.089	16.779	20.617	21.602	23.543	26.176
RSD/%		0.819	0.260	0.374	0.250	0.260	0.271

项目 Item	编号 Number	峰1 Peak 1	峰2 Peak 2	峰3 Peak 3	峰4 Peak 4	峰5 Peak 5(S)	峰6 Peak 6
相对峰面积	1	0.972	1.002	0.990	0.973	0.997	0.992
Relative peak area	2	0.961	0.986	0.952	1.015	1.000	0.996
	3	0.996	0.995	0.983	1.029	1.003	0.996
	4	0.958	1.021	1.012	1.043	1.035	1.017
	5	1.000	1.000	1.000	1.000	1.000	1.000
	6	0.938	0.941	0.985	1.013	0.988	1.003
平均值Average value		0.971	0.991	0.987	1.012	1.004	1.005
RSD/%		2.452	2.699	2.020	2.394	1.617	1.265

项目 Item	编号 Number	峰1 Peak 1	峰2 Peak 2	峰3 Peak 3	峰4 Peak 4	峰5 Peak 5(S)	峰6 Peak 6
峰面积	1	215 096	487 900	156 783	76 079	811 611	499 388
Peak area/	2	216 327	488 242	155 988	71 133	808 610	494 233
mAU·s	3	208 176	486 219	155 596	72 738	809 399	496 489
	4	208 176	486 219	155 596	72 738	809 399	486 489
	5	218 800	510 046	156 687	73 909	797 246	492 814
	6	210 089	518 480	165 420	75 727	801 561	495 109
平均值Average value		212 777	496 184	157 678	73 720	806 304	494 087
RSD/%		2.141	2.877	2.427	2.591	0.695	0.878

项目 Item	编号 Number	峰1 Peak 1	峰2 Peak 2	峰3 Peak 3	峰4 Peak 4	峰5 Peak 5(S)	峰6 Peak 6
相对峰面积	1	0.983	0.956	1.000	1.029	1.018	1.013
Relative peak area	2	0.988	0.957	0.995	0.962	1.014	1.002
	3	0 951	0.953	0.993	0.984	1.015	1.002
	4	0.951	0.953	0.993	0.984	1.015	0.987
	5	1	1	1	1	1	1
	6	0.960	1.016	1.055	1.024	1.005	1.004
平均值Average value		0.972	0.972	1.006	0.997	1.011	1.002
RSD/%		2.141	2.877	2.427	2.591	0.695	0.878

项目 Item	编号 Number	峰1 Peak 1	峰2 Peak 2	峰3 Peak 3	峰4 Peak 4	峰5 Peak 5(S)	峰6 Peak 6
相对保留时间	S1	0.213	0.712	0.875	0.918	1	1.112
Relative retention	S2	0.217	0.712	0.875	0.917	1	1.112
time/min	S3	0.216	0.713	0.875	0.918	1	1.112
	S4	0.216	0.712	0.874	0.917	1	1.110
	S5	0.215	0.711	0.874	0.916	1	1.110
	S6	0.215	0.712	0.876	0.917	1	1.112
	S7	0.215	0.710	0.873	0.914	1	1.109
	S8	0.216	0.712	0.875	0.917	1	1.112
	S9	0.216	0.713	0.876	0.918	1	1.111
	S10	0.216	0.712	0.876	0.917	1	1.112
	S11	0.216	0.712	0.875	0.917	1	1.112
	S12	0.216	0.713	0.875	0.917	1	1.111
	S13	0.215	0.710	0.873	0.914	1	1.109
	S14	0.216	0.712	0.875	0.917	1	1.112
	S15	0.216	0.713	0.876	0.918	1	1.111
	S16	0.216	0.712	0.876	0.917	1	1.112
	S17	0.216	0.712	0.875	0.917	1	1.112
	S18	0.216	0.713	0.875	0.917	1	1.111
平均值Average value		0.216	0.712	0.875	0.917	1	1.111
RSD/%		0.401	0.128	0.115	0.104	0	0.088

编号Number	相似度Similarity	编号Number	相似度Similarity
S1	0.989	S10	0.956
S2	0.990	S11	0.961
S3	0.995	S12	0.964
S4	0.969	S13	0.960
S5	0.969	S14	0.868
S6	0.994	S15	0.985
S7	0.995	S16	0.994
S8	0.915	S17	0.898
S9	0.929	S18	0.984

编号 Number	主成分1得分 Principal component 1 score	主成分2得分 Principal component 2 scores	综合得分 Composite score	排序 Sort
S1	0.17	0.65	0.25	6
S2	0.51	0.97	0.55	4
S3	-0.70	-1.23	-0.73	14
S4	-0.39	-1.09	-0.49	11
S5	-0.39	-1.09	-0.49	12
S6	0.09	0.20	0.1	7
S7	-0.63	-1.09	-0.66	13
S8	-1.41	-2.10	-1.41	18
S9	-0.87	-0.81	-0.77	15
S10	-0.08	0.54	0.06	9
S11	0.35	0.20	0.28	5
S12	-0.19	-0.27	-0.19	10
S13	0.13	0.03	0.09	8
S14	3.88	3.96	3.49	1
S15	-1.53	-1.03	-1.27	16
S16	-1.40	-0.93	-1.16	15
S17	1.79	2.28	1.71	2
S18	0.70	0.80	0.64	3

共有峰编号 Common peak number	载荷 Load		共有峰编号 Common peak number	载荷 Load
共有峰编号 Common peak number	1	2	共有峰编号 Common peak number	1	2
1	0.953	-0.132	4	-0.731	0.806
2	0.937	0.135	5	0.697	-0.514
3	0.851	0.343	6	0.407	0.827

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