Chinese Journal of Applied Chemistry ›› 2024, Vol. 41 ›› Issue (6): 813-829.DOI: 10.19894/j.issn.1000-0518.230351
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Jie WANG, Shu-Hang WANG, Shao-Yan ZHOU, Xiao-Yun LIANG, Ke-Jin XU()
Received:
2023-11-07
Accepted:
2024-02-01
Published:
2024-06-01
Online:
2024-07-09
Contact:
Ke-Jin XU
About author:
xukj@ccucm.edu.cnSupported by:
CLC Number:
Jie WANG, Shu-Hang WANG, Shao-Yan ZHOU, Xiao-Yun LIANG, Ke-Jin XU. Establishment of High Performance Liquid Chromatographic Fingerprints and Identification of Chemical Constituents in Benchmark Samples of Lianpo Decoction[J]. Chinese Journal of Applied Chemistry, 2024, 41(6): 813-829.
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URL: http://yyhx.ciac.jl.cn/EN/10.19894/j.issn.1000-0518.230351
No. | Ginger juice Magnoliae Officinalis Cortex | Coptidis Rhizoma processed by ginger juice | Semen Sojae Praeparatum | Fructus Gardeniae Praeparatus | Rhizoma Pinellinae Praeparata | Rhizoma Graminei | Rhizoma Phragmitis |
---|---|---|---|---|---|---|---|
S1 | Sichuan (20211004) | Chongqing (20220501) | Anhui (221030) | Jiangxi (210323) | Guizhou (220414) | Sichuan (20210915) | Hebei (211018) |
S2 | Sichuan (20211117) | Shaanxi (20211209) | Jiangsu (210421) | Sichuan (20210421) | Gansu (210517) | Anhui (210511) | Anhui (220517) |
S3 | Sichuan (20211018) | Sichuan (20220815) | Anhui (210918) | Chongqing (210913) | Hubei (210912) | Sichuan (20221023) | Hebei (220317) |
S4 | Anhui (220326) | Shaanxi (20210621) | Hubei (220813) | Henan (20210714) | Gansu (220503) | Sichuan (20221204) | Zhejiang (210823) |
S5 | Anhui (220215) | Hubei 20220811 | Sichuan (20220518) | Hubei (20220503) | Guizhou (210912) | Anhui (210503) | Anhui (220519) |
S6 | Anhui (220613) | Sichuan (20220503) | Sichuan (20220913) | Jiangxi (220913) | Gansu (210202) | Anhui (221201) | Hebei (211210) |
S7 | Hubei (20220712) | Sichuan (20220704) | Zhejiang (221108) | Sichuan (20221013) | Anhui (220802) | Hubei (20220316) | Zhejiang (220701) |
S8 | Hubei (20220825) | Chongqing (20211217) | Anhui (220402) | Fujian (221117) | Anhui (220920) | Sichuan (20221017) | Hebei (220723) |
S9 | Sichuan (20220918) | Shaanxi (20220601) | Anhui (220601) | Sichuan (20220617) | Guizhou (210414) | Anhui (220921) | Anhui (220515) |
S10 | Sichuan (20221011) | Chongqing (20220301) | Henan (20220702) | Anhui (220814) | Sichuan (20220520) | Hubei (20210719) | Zhejiang (220801) |
S11 | Sichuan (20221119) | Chongqing (20220926) | Anhui (220822) | Sichuan (20221101) | Gansu (220906) | Sichuan (20221024) | Anhui (220823) |
S12 | Sichuan (20221121) | Hubei (20221113) | Sichuan (20220924) | Sichuan (20221223) | Gansu (220823) | Sichuan (20221113) | Hebei (221016) |
S13 | Hubei (20221202) | Chongqing (20221008) | Anhui (220822) | Jiangxi (220921) | Anhui (221105) | Anhui (220820) | Zhejiang (221115) |
S14 | Hubei (20221029) | Hubei (20221117) | Sichuan (20220920) | Jiangxi (220928) | Anhui (221223) | Anhui (221227) | Anhui (220725) |
S15 | Anhui (220923) | Sichuan (20221024) | Sichuan (20221027) | Jiangxi (221211) | Guizhou (211102) | Sichuan (20221119) | Hebei (220816) |
Table 1 15 batches of lianpo decoction group medicinal materials origin and batch number
No. | Ginger juice Magnoliae Officinalis Cortex | Coptidis Rhizoma processed by ginger juice | Semen Sojae Praeparatum | Fructus Gardeniae Praeparatus | Rhizoma Pinellinae Praeparata | Rhizoma Graminei | Rhizoma Phragmitis |
---|---|---|---|---|---|---|---|
S1 | Sichuan (20211004) | Chongqing (20220501) | Anhui (221030) | Jiangxi (210323) | Guizhou (220414) | Sichuan (20210915) | Hebei (211018) |
S2 | Sichuan (20211117) | Shaanxi (20211209) | Jiangsu (210421) | Sichuan (20210421) | Gansu (210517) | Anhui (210511) | Anhui (220517) |
S3 | Sichuan (20211018) | Sichuan (20220815) | Anhui (210918) | Chongqing (210913) | Hubei (210912) | Sichuan (20221023) | Hebei (220317) |
S4 | Anhui (220326) | Shaanxi (20210621) | Hubei (220813) | Henan (20210714) | Gansu (220503) | Sichuan (20221204) | Zhejiang (210823) |
S5 | Anhui (220215) | Hubei 20220811 | Sichuan (20220518) | Hubei (20220503) | Guizhou (210912) | Anhui (210503) | Anhui (220519) |
S6 | Anhui (220613) | Sichuan (20220503) | Sichuan (20220913) | Jiangxi (220913) | Gansu (210202) | Anhui (221201) | Hebei (211210) |
S7 | Hubei (20220712) | Sichuan (20220704) | Zhejiang (221108) | Sichuan (20221013) | Anhui (220802) | Hubei (20220316) | Zhejiang (220701) |
S8 | Hubei (20220825) | Chongqing (20211217) | Anhui (220402) | Fujian (221117) | Anhui (220920) | Sichuan (20221017) | Hebei (220723) |
S9 | Sichuan (20220918) | Shaanxi (20220601) | Anhui (220601) | Sichuan (20220617) | Guizhou (210414) | Anhui (220921) | Anhui (220515) |
S10 | Sichuan (20221011) | Chongqing (20220301) | Henan (20220702) | Anhui (220814) | Sichuan (20220520) | Hubei (20210719) | Zhejiang (220801) |
S11 | Sichuan (20221119) | Chongqing (20220926) | Anhui (220822) | Sichuan (20221101) | Gansu (220906) | Sichuan (20221024) | Anhui (220823) |
S12 | Sichuan (20221121) | Hubei (20221113) | Sichuan (20220924) | Sichuan (20221223) | Gansu (220823) | Sichuan (20221113) | Hebei (221016) |
S13 | Hubei (20221202) | Chongqing (20221008) | Anhui (220822) | Jiangxi (220921) | Anhui (221105) | Anhui (220820) | Zhejiang (221115) |
S14 | Hubei (20221029) | Hubei (20221117) | Sichuan (20220920) | Jiangxi (220928) | Anhui (221223) | Anhui (221227) | Anhui (220725) |
S15 | Anhui (220923) | Sichuan (20221024) | Sichuan (20221027) | Jiangxi (221211) | Guizhou (211102) | Sichuan (20221119) | Hebei (220816) |
Fig.2 HPLC diagram of Lianpo Decoction mixed reference solutionNote: 3.geniposide; 7.epiberine; 8.coptis hydrochloride; 11,berberine hydrochloride; 12.palmatine hydrochloride;19.genistein; 21.honokiol; 22.magnolol
No. | S1 | S2 | S2 | S4 | S5 | S6 | S7 | S8 | S9 | S10 | S11 | S12 | S13 | S14 | S15 | R |
---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
S1 | 1.000 | 0.971 | 0.982 | 0.999 | 0.950 | 0.934 | 0.993 | 0.995 | 0.975 | 0.997 | 0.917 | 0.918 | 0.926 | 0.998 | 0.971 | 0.981 |
S2 | 0.971 | 1.000 | 0.998 | 0.970 | 0.995 | 0.990 | 0.993 | 0.989 | 0.999 | 0.986 | 0.957 | 0.957 | 0.962 | 0.974 | 0.999 | 0.999 |
S3 | 0.982 | 0.998 | 1.000 | 0.980 | 0.991 | 0.984 | 0.997 | 0.996 | 0.999 | 0.992 | 0.940 | 0.940 | 0.945 | 0.984 | 0.998 | 0.999 |
S4 | 0.999 | 0.970 | 0.980 | 1.000 | 0.947 | 0.931 | 0.992 | 0.993 | 0.973 | 0.997 | 0.917 | 0.919 | 0.907 | 0.999 | 0.970 | 0.979 |
S5 | 0.950 | 0.995 | 0.991 | 0.947 | 1.000 | 0.998 | 0.980 | 0.976 | 0.995 | 0.968 | 0.972 | 0.971 | 0.974 | 0.954 | 0.995 | 0.992 |
S6 | 0.934 | 0.990 | 0.984 | 0.931 | 0.998 | 1.000 | 0.969 | 0.964 | 0.989 | 0.955 | 0.980 | 0.979 | 0.981 | 0.938 | 0.990 | 0.985 |
S7 | 0.993 | 0.993 | 0.997 | 0.992 | 0.980 | 0.969 | 1.000 | 0.999 | 0.994 | 0.998 | 0.919 | 0.920 | 0.926 | 0.994 | 0.992 | 0.997 |
S8 | 0.995 | 0.989 | 0.996 | 0.993 | 0.976 | 0.964 | 0.999 | 1.000 | 0.992 | 0.999 | 0.909 | 0.910 | 0.916 | 0.996 | 0.989 | 0.995 |
S9 | 0.975 | 0.999 | 0.999 | 0.973 | 0.995 | 0.989 | 0.994 | 0.992 | 1.000 | 0.988 | 0.951 | 0.951 | 0.955 | 0.977 | 0.999 | 0.999 |
S10 | 0.997 | 0.986 | 0.992 | 0.997 | 0.968 | 0.955 | 0.998 | 0.999 | 0.988 | 1.000 | 0.918 | 0.919 | 0.916 | 0.998 | 0.985 | 0.992 |
S11 | 0.917 | 0.957 | 0.940 | 0.917 | 0.972 | 0.980 | 0.919 | 0.909 | 0.951 | 0.918 | 1.000 | 0.998 | 0.999 | 0.912 | 0.958 | 0.946 |
S12 | 0.918 | 0.957 | 0.940 | 0.919 | 0.971 | 0.979 | 0.920 | 0.910 | 0.951 | 0.919 | 0.998 | 1.000 | 0.999 | 0.913 | 0.958 | 0.947 |
S13 | 0.926 | 0.962 | 0.945 | 0.907 | 0.974 | 0.981 | 0.926 | 0.916 | 0.955 | 0.916 | 0.999 | 0.999 | 1.000 | 0.911 | 0.963 | 0.952 |
S14 | 0.998 | 0.974 | 0.984 | 0.999 | 0.954 | 0.938 | 0.994 | 0.996 | 0.977 | 0.998 | 0.912 | 0.913 | 0.911 | 1.000 | 0.973 | 0.983 |
S15 | 0.971 | 0.999 | 0.998 | 0.970 | 0.995 | 0.990 | 0.992 | 0.989 | 0.999 | 0.985 | 0.958 | 0.958 | 0.963 | 0.973 | 1.000 | 0.999 |
R | 0.981 | 0.999 | 0.999 | 0.979 | 0.992 | 0.985 | 0.997 | 0.995 | 0.999 | 0.992 | 0.946 | 0.947 | 0.952 | 0.983 | 0.999 | 1.000 |
Table 2 Similarity results of fingerprints of 15 batches of Lianpo Decoction
No. | S1 | S2 | S2 | S4 | S5 | S6 | S7 | S8 | S9 | S10 | S11 | S12 | S13 | S14 | S15 | R |
---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
S1 | 1.000 | 0.971 | 0.982 | 0.999 | 0.950 | 0.934 | 0.993 | 0.995 | 0.975 | 0.997 | 0.917 | 0.918 | 0.926 | 0.998 | 0.971 | 0.981 |
S2 | 0.971 | 1.000 | 0.998 | 0.970 | 0.995 | 0.990 | 0.993 | 0.989 | 0.999 | 0.986 | 0.957 | 0.957 | 0.962 | 0.974 | 0.999 | 0.999 |
S3 | 0.982 | 0.998 | 1.000 | 0.980 | 0.991 | 0.984 | 0.997 | 0.996 | 0.999 | 0.992 | 0.940 | 0.940 | 0.945 | 0.984 | 0.998 | 0.999 |
S4 | 0.999 | 0.970 | 0.980 | 1.000 | 0.947 | 0.931 | 0.992 | 0.993 | 0.973 | 0.997 | 0.917 | 0.919 | 0.907 | 0.999 | 0.970 | 0.979 |
S5 | 0.950 | 0.995 | 0.991 | 0.947 | 1.000 | 0.998 | 0.980 | 0.976 | 0.995 | 0.968 | 0.972 | 0.971 | 0.974 | 0.954 | 0.995 | 0.992 |
S6 | 0.934 | 0.990 | 0.984 | 0.931 | 0.998 | 1.000 | 0.969 | 0.964 | 0.989 | 0.955 | 0.980 | 0.979 | 0.981 | 0.938 | 0.990 | 0.985 |
S7 | 0.993 | 0.993 | 0.997 | 0.992 | 0.980 | 0.969 | 1.000 | 0.999 | 0.994 | 0.998 | 0.919 | 0.920 | 0.926 | 0.994 | 0.992 | 0.997 |
S8 | 0.995 | 0.989 | 0.996 | 0.993 | 0.976 | 0.964 | 0.999 | 1.000 | 0.992 | 0.999 | 0.909 | 0.910 | 0.916 | 0.996 | 0.989 | 0.995 |
S9 | 0.975 | 0.999 | 0.999 | 0.973 | 0.995 | 0.989 | 0.994 | 0.992 | 1.000 | 0.988 | 0.951 | 0.951 | 0.955 | 0.977 | 0.999 | 0.999 |
S10 | 0.997 | 0.986 | 0.992 | 0.997 | 0.968 | 0.955 | 0.998 | 0.999 | 0.988 | 1.000 | 0.918 | 0.919 | 0.916 | 0.998 | 0.985 | 0.992 |
S11 | 0.917 | 0.957 | 0.940 | 0.917 | 0.972 | 0.980 | 0.919 | 0.909 | 0.951 | 0.918 | 1.000 | 0.998 | 0.999 | 0.912 | 0.958 | 0.946 |
S12 | 0.918 | 0.957 | 0.940 | 0.919 | 0.971 | 0.979 | 0.920 | 0.910 | 0.951 | 0.919 | 0.998 | 1.000 | 0.999 | 0.913 | 0.958 | 0.947 |
S13 | 0.926 | 0.962 | 0.945 | 0.907 | 0.974 | 0.981 | 0.926 | 0.916 | 0.955 | 0.916 | 0.999 | 0.999 | 1.000 | 0.911 | 0.963 | 0.952 |
S14 | 0.998 | 0.974 | 0.984 | 0.999 | 0.954 | 0.938 | 0.994 | 0.996 | 0.977 | 0.998 | 0.912 | 0.913 | 0.911 | 1.000 | 0.973 | 0.983 |
S15 | 0.971 | 0.999 | 0.998 | 0.970 | 0.995 | 0.990 | 0.992 | 0.989 | 0.999 | 0.985 | 0.958 | 0.958 | 0.963 | 0.973 | 1.000 | 0.999 |
R | 0.981 | 0.999 | 0.999 | 0.979 | 0.992 | 0.985 | 0.997 | 0.995 | 0.999 | 0.992 | 0.946 | 0.947 | 0.952 | 0.983 | 0.999 | 1.000 |
Fig.3 Comparison of HPLC fingerprints of single herb and benchmark samples of Lianpo DecoctionNote: SDOGJMOC, Single Decoction of Ginger juice Magnoliae Officinalis Cortex; SDOFGP, Single Decoction of Fructus Gardeniae Praeparatus; SDOSSP, Single Decoction of Semen Sojae Praeparatum; SDORH, Single Decoction of Rhizoma Phragmitis; SDOCRPBGJ, Single Decoction of Coptidis Rhizoma processed by ginger juice; SDORPP, Single Decoction of Rhizoma Pinellinae Praeparata; SDORG, Single Decoction of Rhizoma Graminei
Principal component | Eigenvalue | Variance contribution/% | Cumulative variance contribution/% |
---|---|---|---|
1 | 8.57 | 37.26 | 37.26 |
2 | 8.10 | 35.20 | 72.45 |
3 | 3.66 | 15.91 | 88.36 |
4 | 1.12 | 4.88 | 93.24 |
Table 3 Eigenvalues and cumulative variance contribution ratio
Principal component | Eigenvalue | Variance contribution/% | Cumulative variance contribution/% |
---|---|---|---|
1 | 8.57 | 37.26 | 37.26 |
2 | 8.10 | 35.20 | 72.45 |
3 | 3.66 | 15.91 | 88.36 |
4 | 1.12 | 4.88 | 93.24 |
Peak No. | Principal component 1 | Principal component 2 | Principal component 3 | Principal component 4 |
---|---|---|---|---|
1 | -0.612 | 0.672 | 0.345 | 0.06 |
2 | -0.48 | 0.513 | 0.663 | 0.206 |
3 | -0.633 | 0.65 | 0.33 | 0.006 |
4 | 0.859 | -0.306 | -0.302 | -0.054 |
5 | 0.465 | -0.721 | 0.34 | 0.358 |
6 | 0.221 | -0.811 | 0.283 | 0.243 |
7 | 0.847 | 0.408 | 0.265 | -0.192 |
8 | 0.812 | 0.411 | 0.359 | -0.174 |
9 | 0.583 | -0.696 | 0.364 | 0.145 |
10 | 0.839 | 0.4 | 0.261 | -0.21 |
11 | 0.83 | 0.382 | 0.331 | -0.201 |
12 | 0.866 | 0.38 | 0.214 | -0.145 |
13 | 0.585 | 0.602 | -0.294 | 0.755 |
14 | 0.197 | 0.945 | -0.088 | 0.226 |
15 | -0.056 | 0.913 | 0.047 | 0.303 |
16 | -0.172 | 0.867 | -0.43 | -0.082 |
17 | 0.565 | 0.74 | -0.26 | 0.229 |
18 | 0.741 | 0.518 | -0.229 | 0.259 |
19 | 0.847 | 0.048 | -0.374 | 0.122 |
20 | -0.535 | 0.724 | -0.321 | -0.07 |
21 | 0.464 | 0.022 | 0.766 | -0.084 |
22 | -0.351 | 0.411 | 0.516 | -0.423 |
23 | -0.278 | 0.252 | 0.808 | 0.392 |
Table 4 Principal component factor loading matrix
Peak No. | Principal component 1 | Principal component 2 | Principal component 3 | Principal component 4 |
---|---|---|---|---|
1 | -0.612 | 0.672 | 0.345 | 0.06 |
2 | -0.48 | 0.513 | 0.663 | 0.206 |
3 | -0.633 | 0.65 | 0.33 | 0.006 |
4 | 0.859 | -0.306 | -0.302 | -0.054 |
5 | 0.465 | -0.721 | 0.34 | 0.358 |
6 | 0.221 | -0.811 | 0.283 | 0.243 |
7 | 0.847 | 0.408 | 0.265 | -0.192 |
8 | 0.812 | 0.411 | 0.359 | -0.174 |
9 | 0.583 | -0.696 | 0.364 | 0.145 |
10 | 0.839 | 0.4 | 0.261 | -0.21 |
11 | 0.83 | 0.382 | 0.331 | -0.201 |
12 | 0.866 | 0.38 | 0.214 | -0.145 |
13 | 0.585 | 0.602 | -0.294 | 0.755 |
14 | 0.197 | 0.945 | -0.088 | 0.226 |
15 | -0.056 | 0.913 | 0.047 | 0.303 |
16 | -0.172 | 0.867 | -0.43 | -0.082 |
17 | 0.565 | 0.74 | -0.26 | 0.229 |
18 | 0.741 | 0.518 | -0.229 | 0.259 |
19 | 0.847 | 0.048 | -0.374 | 0.122 |
20 | -0.535 | 0.724 | -0.321 | -0.07 |
21 | 0.464 | 0.022 | 0.766 | -0.084 |
22 | -0.351 | 0.411 | 0.516 | -0.423 |
23 | -0.278 | 0.252 | 0.808 | 0.392 |
No. | F1 | F2 | F3 | F4 | F | Rank |
---|---|---|---|---|---|---|
S1 | -4.208 | -0.654 | -1.513 | -0.682 | -2.224 | 14 |
S2 | -0.022 | 0.004 | 3.447 | -0.313 | 0.566 | 5 |
S3 | -0.764 | 0.69 | 0.628 | -2.396 | -0.063 | 7 |
S4 | -3.444 | -0.92 | 0.621 | 2.615 | -1.482 | 13 |
S5 | 1.822 | 4.451 | -1.166 | -0.228 | 2.196 | 2 |
S6 | 4.293 | 5.025 | -2.148 | 0.568 | 3.274 | 1 |
S7 | -2.243 | -0.965 | -0.606 | -0.437 | -1.387 | 12 |
S8 | -1.568 | 1.017 | -1.774 | 0.182 | -0.538 | 9 |
S9 | 1.285 | 3.426 | 0.883 | 0.447 | 1.980 | 3 |
S10 | -2.169 | 0.161 | 1.15 | 0.757 | -0.571 | 11 |
S11 | 2.83 | -3.984 | -0.834 | -0.543 | -0.541 | 10 |
S12 | 3.261 | -4.363 | -0.723 | -0.176 | -0.473 | 8 |
S13 | 4.605 | -3.949 | 0.084 | 0.827 | 0.411 | 6 |
S14 | -3.787 | -1.023 | -2.309 | -0.254 | -2.309 | 15 |
S15 | 0.109 | 1.084 | 4.261 | -0.366 | 1.162 | 4 |
Table 5 Principal component scores, composite scores and rankings
No. | F1 | F2 | F3 | F4 | F | Rank |
---|---|---|---|---|---|---|
S1 | -4.208 | -0.654 | -1.513 | -0.682 | -2.224 | 14 |
S2 | -0.022 | 0.004 | 3.447 | -0.313 | 0.566 | 5 |
S3 | -0.764 | 0.69 | 0.628 | -2.396 | -0.063 | 7 |
S4 | -3.444 | -0.92 | 0.621 | 2.615 | -1.482 | 13 |
S5 | 1.822 | 4.451 | -1.166 | -0.228 | 2.196 | 2 |
S6 | 4.293 | 5.025 | -2.148 | 0.568 | 3.274 | 1 |
S7 | -2.243 | -0.965 | -0.606 | -0.437 | -1.387 | 12 |
S8 | -1.568 | 1.017 | -1.774 | 0.182 | -0.538 | 9 |
S9 | 1.285 | 3.426 | 0.883 | 0.447 | 1.980 | 3 |
S10 | -2.169 | 0.161 | 1.15 | 0.757 | -0.571 | 11 |
S11 | 2.83 | -3.984 | -0.834 | -0.543 | -0.541 | 10 |
S12 | 3.261 | -4.363 | -0.723 | -0.176 | -0.473 | 8 |
S13 | 4.605 | -3.949 | 0.084 | 0.827 | 0.411 | 6 |
S14 | -3.787 | -1.023 | -2.309 | -0.254 | -2.309 | 15 |
S15 | 0.109 | 1.084 | 4.261 | -0.366 | 1.162 | 4 |
No. | Ionic form | Source | ||||||
---|---|---|---|---|---|---|---|---|
1 | 0.78 | Choline[ | C5H13NO | 103.099 7 | 103.099 8 | 1.01 | P | E |
2 | 0.798 | DL-Arginine[ | C6H14N4O2 | 174.111 7 | 174.111 3 | -2.07 | P | E |
3 | 0.941 | Gluconic acid[ | C6H12O7 | 196.058 3 | 196.057 4 | -4.75 | P | A |
4 | 0.942 | Asparagine | C4H8N2O3 | 132.053 5 | 132.053 3 | -1.73 | P | G |
5 | 1.04 | Adenine[ | C5H5N5 | 135.054 5 | 135.054 3 | -1.16 | P | E |
6 | 1.088 | Uracil[ | C4H4N2O2 | 112.027 3 | 112.027 3 | 0.27 | P | E |
7 | 1.159 | Adenosine[ | C10H13N5O4 | 267.096 8 | 267.096 2 | -2.27 | P | E |
8 | 1.162 | 2-Hydroxycinnamic acid[ | C9H8O3 | 164.047 3 | 164.047 1 | -1.61 | P | A |
9 | 1.21 | L-Isoleucine[ | C6H13NO2 | 131.094 6 | 131.094 4 | -1.57 | P | E |
10 | 1.256 | Guanosine[ | C10H13N5O5 | 283.091 7 | 283.090 9 | -2.83 | P | E |
11 | 1.381 | Thymine[ | C5H6N2O2 | 126.042 9 | 126.042 8 | -1.07 | P | E |
12 | 1.886 | Geniposidic acid[ | C16H22O10 | 374.121 3 | 374.121 1 | -0.62 | N | D |
13 | 2.543 | 2,4,5-Trimethoxybenzoic acid[ | C10H12O5 | 212.068 5 | 212.068 0 | -2.47 | P | F |
14 | 3.328 | Coixol | C8H7NO3 | 165.042 6 | 165.042 3 | -1.83 | P | G |
15 | 3.53 | Protocatechuic acid | C7H6O4 | 154.026 6 | 154.026 3 | -2.13 | P | E |
16 | 3.611 | Maltol[ | C6H6O3 | 126.031 7 | 126.031 6 | -1.03 | P | G |
17 | 4.108 | Hypocretin methyl ester[ | C17H24O11 | 404.131 9 | 404.131 7 | -0.53 | N | D |
18 | 4.131 | Coumarin[ | C9H6O2 | 146.036 8 | 146.036 4 | -2.49 | P | A |
19 | 4.22 | Anethole[ | C10H12O | 148.088 8 | 148.088 6 | -1.7 | P | E |
20 | 4.226 | Neochlorogenic acid[ | C16H18O9 | 354.095 1 | 354.094 7 | -1.21 | N | BDF |
21 | 4.232 | Jasmin G[ | C16H26O8 | 346.162 8 | 346.161 8 | -2.79 | P | D |
22 | 4.273 | 5-Hydroxyindole-3-acetic acid[ | C10H9NO3 | 191.058 2 | 191.057 8 | -2.31 | P | B |
23 | 4.606 | Normorphine[ | C16H17NO3 | 271.120 8 | 271.120 2 | -2.5 | P | B |
24 | 4.618 | Sinomenine[ | C19H23NO4 | 329.162 7 | 329.161 9 | -2.6 | P | A |
25 | 4.805 | Jade leaf auriculosidic acid[ | C21H32O10 | 444.199 6 | 444.199 4 | -0.43 | N | D |
26 | 5.002 | Salicylic acid[ | C7H6O3 | 138.031 7 | 138.031 2 | -3.32 | P | BDF |
27 | 5.029 | 3-Acetylmorphine[ | C19H21NO4 | 327.147 1 | 327.146 1 | -2.82 | P | B |
28 | 5.059 | Ferulaldehyde | C10H10O3 | 178.063 0 | 178.062 9 | -0.7 | P | G |
29 | 5.128 | Chlorogenic acid[ | C16H18O9 | 354.095 1 | 354.094 8 | -0.83 | N | BD |
30 | 5.142 | Genipin 1-O-β-D-gentiobioside[ | C23H34O15 | 550.189 8 | 550.189 5 | -0.55 | N | D |
31 | 5.162 | Ethylmorphine[ | C19H23NO3 | 313.167 8 | 313.166 7 | -3.48 | P | A |
32 | 5.295 | Methyl chlorogenate[ | C17H20O9 | 368.110 7 | 368.109 7 | -2.95 | P | BD |
33 | 5.301 | Methyl chlorogenate[ | C17H20O9 | 368.110 7 | 368.110 3 | -1.06 | N | BD |
34 | 5.573 | 6-Acetylmorphine | C19H21NO4 | 327.147 1 | 327.146 0 | -3.1 | P | B |
35 | 5.59 | Geniposide[ | C17H24O10 | 388.137 0 | 388.136 7 | -0.64 | N | D |
36 | 5.596 | Genipin[ | C11H14O5 | 226.084 1 | 226.083 5 | -2.99 | N | D |
37 | 5.599 | Isoferulic acid[ | C10H10O4 | 194.057 9 | 194.057 3 | -3.12 | P | G |
38 | 5.7 | 6-Acetylcodeine[ | C20H23NO4 | 341.162 7 | 341.161 6 | -3.23 | P | A |
39 | 5.719 | Saffronic acid[ | C16H26O8 | 346.162 8 | 346.162 6 | -0.48 | N | D |
40 | 5.769 | Syringic acid[ | C9H10O5 | 198.052 8 | 198.052 4 | -2.37 | N | A |
41 | 5.79 | Jasmin T[ | C21H34O11 | 462.210 1 | 462.208 8 | -2.82 | P | D |
42 | 5.962 | 4-Hydroxybenzaldehyde[ | C7H6O2 | 122.036 8 | 122.036 7 | -1.04 | P | G |
43 | 5.963 | Caffeic acid[ | C9H8O4 | 180.042 3 | 180.041 8 | -2.34 | N | CDA |
44 | 5.976 | Jasmin A[ | C16H26O7 | 330.167 9 | 330.166 9 | -2.99 | P | D |
45 | 6.046 | Methyl chlorogenate[ | C17H20O9 | 368.110 7 | 368.110 5 | -0.61 | N | BD |
46 | 6.052 | Daidzin[ | C21H20O9 | 416.110 7 | 416.109 5 | -3 | P | C |
47 | 6.156 | Glycitin[ | C22H22O10 | 446.121 3 | 446.120 3 | -2.33 | P | C |
48 | 6.357 | Erigerin L[ | C27H36O12 | 552.220 7 | 552.220 5 | -0.25 | N | D |
49 | 6.409 | Rutin[ | C27H30O16 | 610.153 4 | 610.153 3 | -0.08 | P | D |
50 | 6.486 | Lariciresinol 4-O-glucoside[ | C26H34O11 | 522.210 1 | 522.209 9 | -0.44 | N | A |
51 | 6.571 | Demethyleneberberine[ | C21H22NO4 | 352.115 8 | 352.114 7 | -3.27 | P | B |
52 | 6.604 | Ferulic acid[ | C10H10O4 | 194.057 9 | 194.057 5 | -2.17 | P | G |
53 | 6.648 | Kaempferol 7-neohesperidoside[ | C27H30O15 | 594.158 5 | 594.158 5 | -0.01 | N | F |
54 | 6.694 | Butyraldehyde | C9H10O4 | 182.057 9 | 182.057 5 | -2.18 | P | G |
55 | 6.737 | 6'-o-trans-Mustardoyl gardenia neoside[ | C27H32O14 | 580.179 2 | 580.177 9 | -2.29 | P | D |
56 | 6.807 | Coptisine[ | C19H14NO4 | 320.092 3 | 320.092 6 | 1.1 | N | B |
57 | 7.102 | 4-Coumaric acid[ | C9H8O3 | 164.047 3 | 164.046 9 | -2.73 | P | A |
58 | 7.136 | 6″-o-trans-Mustard acylkinetic acid gentiobioside[ | C34H44O19 | 756.247 7 | 756.245 7 | -2.59 | N | D |
59 | 7.218 | 4,5-Dicaffeoylquinic acid[ | C25H24O12 | 516.126 8 | 516.126 4 | -0.71 | N | D |
60 | 7.243 | Jatrorrhizine[ | C20H19NO4 | 337.131 4 | 337.130 0 | -4.11 | P | B |
61 | 7.266 | 6″-O-Acetylsoyoside[ | C23H22O10 | 458.121 3 | 458.119 8 | -3.34 | P | C |
62 | 7.694 | 6'-o-trans-Mustard acyl kynephoside[ | C28H34O14 | 594.194 9 | 594.193 2 | -2.79 | N | D |
63 | 7.893 | Berberine[ | C20H17NO4 | 335.115 8 | 335.114 5 | -3.7 | P | B |
64 | 8.297 | Feruloyl tyramine[ | C18H19NO4 | 313.131 4 | 313.130 4 | -3.26 | P | F |
65 | 8.354 | Daidzein[ | C15H10O4 | 254.057 9 | 254.057 2 | -2.89 | N | C |
66 | 8.519 | Disinapoyl Hexoside[ | C28H32O14 | 592.179 2 | 592.179 0 | -0.4 | N | B |
67 | 8.56 | 2,4,5-Trimethoxybenzaldehyde[ | C10H12O4 | 196.073 6 | 196.073 1 | -2.46 | P | F |
68 | 8.611 | Glycitein[ | C16H12O5 | 284.068 5 | 284.067 6 | -2.92 | N | C |
69 | 8.93 | Quercetin[ | C15H10O7 | 302.042 7 | 302.042 3 | -1.03 | N | D |
70 | 9.153 | Crocin[ | C44H64O24 | 976.378 8 | 976.378 5 | -0.23 | N | D |
71 | 9.314 | Crocetin[ | C20H24O4 | 328.167 5 | 328.166 5 | -2.95 | P | D |
72 | 9.679 | Isophorone[ | C9H14O | 138.104 5 | 138.104 2 | -2.11 | P | D |
73 | 9.682 | Crocin Ⅱ[ | C38H54O19 | 814.325 9 | 814.325 7 | -0.25 | N | D |
74 | 9.694 | Genistein[ | C15H10O5 | 270.052 8 | 270.052 1 | -2.75 | P | C |
75 | 10.32 | Crocin 3[ | C32H44O14 | 652.273 1 | 652.273 1 | -0.08 | N | D |
76 | 10.675 | Oxyberberine[ | C20H17NO5 | 351.110 7 | 351.109 6 | -3.13 | P | B |
77 | 10.849 | (-)-Caryophyllene oxide[ | C15H24O | 220.182 7 | 220.182 2 | -2.42 | P | F |
78 | 10.877 | Berberrubine[ | C19H15NO4 | 340.118 5 | 340.117 5 | -2.91 | P | B |
79 | 10.983 | Sphingomyelin[ | C18H39NO3 | 317.293 0 | 317.292 1 | -2.91 | P | E |
80 | 11.041 | Honokiol[ | C18H18O2 | 266.131 0 | 266.129 0 | -2.92 | P | A |
81 | 11.153 | Medicarpin[ | C16H14O4 | 270.089 2 | 270.088 4 | -3.01 | P | B |
82 | 11.155 | Prespatane[ | C15H24 | 204.187 8 | 204.187 3 | -2.36 | P | F |
83 | 11.586 | Crocetin[ | C20H24O4 | 328.167 5 | 328.167 1 | -1.1 | N | D |
84 | 12.185 | Magnolol[ | C18H18O2 | 266.130 7 | 266.129 9 | -2.93 | P | A |
85 | 13.431 | β-Asarone[ | C12H16O3 | 208.109 9 | 208.109 4 | -2.43 | P | F |
86 | 13.522 | α-Linolenic acid[ | C18H30O2 | 278.224 6 | 278.223 8 | -2.79 | P | E |
87 | 14.352 | Linoleoyl ethanolamide[ | C20H37NO2 | 323.282 4 | 323.281 6 | -2.65 | P | E |
88 | 16.333 | Hexadecanamide[ | C16H33NO | 255.256 2 | 255.255 3 | -3.46 | P | E |
89 | 16.456 | Ursolic acid[ | C30H48O3 | 456.360 4 | 456.359 2 | -2.47 | P | D |
90 | 16.989 | Ceratodictyol[ | C19H38O4 | 330.277 0 | 330.276 0 | -3.03 | P | E |
91 | 18.422 | Oleic acid[ | C18H34O2 | 282.255 9 | 282.255 6 | -1.11 | N | FE |
Table 6 Compositional identification results of benchmark samples of Lianpo Decoction
No. | Ionic form | Source | ||||||
---|---|---|---|---|---|---|---|---|
1 | 0.78 | Choline[ | C5H13NO | 103.099 7 | 103.099 8 | 1.01 | P | E |
2 | 0.798 | DL-Arginine[ | C6H14N4O2 | 174.111 7 | 174.111 3 | -2.07 | P | E |
3 | 0.941 | Gluconic acid[ | C6H12O7 | 196.058 3 | 196.057 4 | -4.75 | P | A |
4 | 0.942 | Asparagine | C4H8N2O3 | 132.053 5 | 132.053 3 | -1.73 | P | G |
5 | 1.04 | Adenine[ | C5H5N5 | 135.054 5 | 135.054 3 | -1.16 | P | E |
6 | 1.088 | Uracil[ | C4H4N2O2 | 112.027 3 | 112.027 3 | 0.27 | P | E |
7 | 1.159 | Adenosine[ | C10H13N5O4 | 267.096 8 | 267.096 2 | -2.27 | P | E |
8 | 1.162 | 2-Hydroxycinnamic acid[ | C9H8O3 | 164.047 3 | 164.047 1 | -1.61 | P | A |
9 | 1.21 | L-Isoleucine[ | C6H13NO2 | 131.094 6 | 131.094 4 | -1.57 | P | E |
10 | 1.256 | Guanosine[ | C10H13N5O5 | 283.091 7 | 283.090 9 | -2.83 | P | E |
11 | 1.381 | Thymine[ | C5H6N2O2 | 126.042 9 | 126.042 8 | -1.07 | P | E |
12 | 1.886 | Geniposidic acid[ | C16H22O10 | 374.121 3 | 374.121 1 | -0.62 | N | D |
13 | 2.543 | 2,4,5-Trimethoxybenzoic acid[ | C10H12O5 | 212.068 5 | 212.068 0 | -2.47 | P | F |
14 | 3.328 | Coixol | C8H7NO3 | 165.042 6 | 165.042 3 | -1.83 | P | G |
15 | 3.53 | Protocatechuic acid | C7H6O4 | 154.026 6 | 154.026 3 | -2.13 | P | E |
16 | 3.611 | Maltol[ | C6H6O3 | 126.031 7 | 126.031 6 | -1.03 | P | G |
17 | 4.108 | Hypocretin methyl ester[ | C17H24O11 | 404.131 9 | 404.131 7 | -0.53 | N | D |
18 | 4.131 | Coumarin[ | C9H6O2 | 146.036 8 | 146.036 4 | -2.49 | P | A |
19 | 4.22 | Anethole[ | C10H12O | 148.088 8 | 148.088 6 | -1.7 | P | E |
20 | 4.226 | Neochlorogenic acid[ | C16H18O9 | 354.095 1 | 354.094 7 | -1.21 | N | BDF |
21 | 4.232 | Jasmin G[ | C16H26O8 | 346.162 8 | 346.161 8 | -2.79 | P | D |
22 | 4.273 | 5-Hydroxyindole-3-acetic acid[ | C10H9NO3 | 191.058 2 | 191.057 8 | -2.31 | P | B |
23 | 4.606 | Normorphine[ | C16H17NO3 | 271.120 8 | 271.120 2 | -2.5 | P | B |
24 | 4.618 | Sinomenine[ | C19H23NO4 | 329.162 7 | 329.161 9 | -2.6 | P | A |
25 | 4.805 | Jade leaf auriculosidic acid[ | C21H32O10 | 444.199 6 | 444.199 4 | -0.43 | N | D |
26 | 5.002 | Salicylic acid[ | C7H6O3 | 138.031 7 | 138.031 2 | -3.32 | P | BDF |
27 | 5.029 | 3-Acetylmorphine[ | C19H21NO4 | 327.147 1 | 327.146 1 | -2.82 | P | B |
28 | 5.059 | Ferulaldehyde | C10H10O3 | 178.063 0 | 178.062 9 | -0.7 | P | G |
29 | 5.128 | Chlorogenic acid[ | C16H18O9 | 354.095 1 | 354.094 8 | -0.83 | N | BD |
30 | 5.142 | Genipin 1-O-β-D-gentiobioside[ | C23H34O15 | 550.189 8 | 550.189 5 | -0.55 | N | D |
31 | 5.162 | Ethylmorphine[ | C19H23NO3 | 313.167 8 | 313.166 7 | -3.48 | P | A |
32 | 5.295 | Methyl chlorogenate[ | C17H20O9 | 368.110 7 | 368.109 7 | -2.95 | P | BD |
33 | 5.301 | Methyl chlorogenate[ | C17H20O9 | 368.110 7 | 368.110 3 | -1.06 | N | BD |
34 | 5.573 | 6-Acetylmorphine | C19H21NO4 | 327.147 1 | 327.146 0 | -3.1 | P | B |
35 | 5.59 | Geniposide[ | C17H24O10 | 388.137 0 | 388.136 7 | -0.64 | N | D |
36 | 5.596 | Genipin[ | C11H14O5 | 226.084 1 | 226.083 5 | -2.99 | N | D |
37 | 5.599 | Isoferulic acid[ | C10H10O4 | 194.057 9 | 194.057 3 | -3.12 | P | G |
38 | 5.7 | 6-Acetylcodeine[ | C20H23NO4 | 341.162 7 | 341.161 6 | -3.23 | P | A |
39 | 5.719 | Saffronic acid[ | C16H26O8 | 346.162 8 | 346.162 6 | -0.48 | N | D |
40 | 5.769 | Syringic acid[ | C9H10O5 | 198.052 8 | 198.052 4 | -2.37 | N | A |
41 | 5.79 | Jasmin T[ | C21H34O11 | 462.210 1 | 462.208 8 | -2.82 | P | D |
42 | 5.962 | 4-Hydroxybenzaldehyde[ | C7H6O2 | 122.036 8 | 122.036 7 | -1.04 | P | G |
43 | 5.963 | Caffeic acid[ | C9H8O4 | 180.042 3 | 180.041 8 | -2.34 | N | CDA |
44 | 5.976 | Jasmin A[ | C16H26O7 | 330.167 9 | 330.166 9 | -2.99 | P | D |
45 | 6.046 | Methyl chlorogenate[ | C17H20O9 | 368.110 7 | 368.110 5 | -0.61 | N | BD |
46 | 6.052 | Daidzin[ | C21H20O9 | 416.110 7 | 416.109 5 | -3 | P | C |
47 | 6.156 | Glycitin[ | C22H22O10 | 446.121 3 | 446.120 3 | -2.33 | P | C |
48 | 6.357 | Erigerin L[ | C27H36O12 | 552.220 7 | 552.220 5 | -0.25 | N | D |
49 | 6.409 | Rutin[ | C27H30O16 | 610.153 4 | 610.153 3 | -0.08 | P | D |
50 | 6.486 | Lariciresinol 4-O-glucoside[ | C26H34O11 | 522.210 1 | 522.209 9 | -0.44 | N | A |
51 | 6.571 | Demethyleneberberine[ | C21H22NO4 | 352.115 8 | 352.114 7 | -3.27 | P | B |
52 | 6.604 | Ferulic acid[ | C10H10O4 | 194.057 9 | 194.057 5 | -2.17 | P | G |
53 | 6.648 | Kaempferol 7-neohesperidoside[ | C27H30O15 | 594.158 5 | 594.158 5 | -0.01 | N | F |
54 | 6.694 | Butyraldehyde | C9H10O4 | 182.057 9 | 182.057 5 | -2.18 | P | G |
55 | 6.737 | 6'-o-trans-Mustardoyl gardenia neoside[ | C27H32O14 | 580.179 2 | 580.177 9 | -2.29 | P | D |
56 | 6.807 | Coptisine[ | C19H14NO4 | 320.092 3 | 320.092 6 | 1.1 | N | B |
57 | 7.102 | 4-Coumaric acid[ | C9H8O3 | 164.047 3 | 164.046 9 | -2.73 | P | A |
58 | 7.136 | 6″-o-trans-Mustard acylkinetic acid gentiobioside[ | C34H44O19 | 756.247 7 | 756.245 7 | -2.59 | N | D |
59 | 7.218 | 4,5-Dicaffeoylquinic acid[ | C25H24O12 | 516.126 8 | 516.126 4 | -0.71 | N | D |
60 | 7.243 | Jatrorrhizine[ | C20H19NO4 | 337.131 4 | 337.130 0 | -4.11 | P | B |
61 | 7.266 | 6″-O-Acetylsoyoside[ | C23H22O10 | 458.121 3 | 458.119 8 | -3.34 | P | C |
62 | 7.694 | 6'-o-trans-Mustard acyl kynephoside[ | C28H34O14 | 594.194 9 | 594.193 2 | -2.79 | N | D |
63 | 7.893 | Berberine[ | C20H17NO4 | 335.115 8 | 335.114 5 | -3.7 | P | B |
64 | 8.297 | Feruloyl tyramine[ | C18H19NO4 | 313.131 4 | 313.130 4 | -3.26 | P | F |
65 | 8.354 | Daidzein[ | C15H10O4 | 254.057 9 | 254.057 2 | -2.89 | N | C |
66 | 8.519 | Disinapoyl Hexoside[ | C28H32O14 | 592.179 2 | 592.179 0 | -0.4 | N | B |
67 | 8.56 | 2,4,5-Trimethoxybenzaldehyde[ | C10H12O4 | 196.073 6 | 196.073 1 | -2.46 | P | F |
68 | 8.611 | Glycitein[ | C16H12O5 | 284.068 5 | 284.067 6 | -2.92 | N | C |
69 | 8.93 | Quercetin[ | C15H10O7 | 302.042 7 | 302.042 3 | -1.03 | N | D |
70 | 9.153 | Crocin[ | C44H64O24 | 976.378 8 | 976.378 5 | -0.23 | N | D |
71 | 9.314 | Crocetin[ | C20H24O4 | 328.167 5 | 328.166 5 | -2.95 | P | D |
72 | 9.679 | Isophorone[ | C9H14O | 138.104 5 | 138.104 2 | -2.11 | P | D |
73 | 9.682 | Crocin Ⅱ[ | C38H54O19 | 814.325 9 | 814.325 7 | -0.25 | N | D |
74 | 9.694 | Genistein[ | C15H10O5 | 270.052 8 | 270.052 1 | -2.75 | P | C |
75 | 10.32 | Crocin 3[ | C32H44O14 | 652.273 1 | 652.273 1 | -0.08 | N | D |
76 | 10.675 | Oxyberberine[ | C20H17NO5 | 351.110 7 | 351.109 6 | -3.13 | P | B |
77 | 10.849 | (-)-Caryophyllene oxide[ | C15H24O | 220.182 7 | 220.182 2 | -2.42 | P | F |
78 | 10.877 | Berberrubine[ | C19H15NO4 | 340.118 5 | 340.117 5 | -2.91 | P | B |
79 | 10.983 | Sphingomyelin[ | C18H39NO3 | 317.293 0 | 317.292 1 | -2.91 | P | E |
80 | 11.041 | Honokiol[ | C18H18O2 | 266.131 0 | 266.129 0 | -2.92 | P | A |
81 | 11.153 | Medicarpin[ | C16H14O4 | 270.089 2 | 270.088 4 | -3.01 | P | B |
82 | 11.155 | Prespatane[ | C15H24 | 204.187 8 | 204.187 3 | -2.36 | P | F |
83 | 11.586 | Crocetin[ | C20H24O4 | 328.167 5 | 328.167 1 | -1.1 | N | D |
84 | 12.185 | Magnolol[ | C18H18O2 | 266.130 7 | 266.129 9 | -2.93 | P | A |
85 | 13.431 | β-Asarone[ | C12H16O3 | 208.109 9 | 208.109 4 | -2.43 | P | F |
86 | 13.522 | α-Linolenic acid[ | C18H30O2 | 278.224 6 | 278.223 8 | -2.79 | P | E |
87 | 14.352 | Linoleoyl ethanolamide[ | C20H37NO2 | 323.282 4 | 323.281 6 | -2.65 | P | E |
88 | 16.333 | Hexadecanamide[ | C16H33NO | 255.256 2 | 255.255 3 | -3.46 | P | E |
89 | 16.456 | Ursolic acid[ | C30H48O3 | 456.360 4 | 456.359 2 | -2.47 | P | D |
90 | 16.989 | Ceratodictyol[ | C19H38O4 | 330.277 0 | 330.276 0 | -3.03 | P | E |
91 | 18.422 | Oleic acid[ | C18H34O2 | 282.255 9 | 282.255 6 | -1.11 | N | FE |
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