Differential Chemical Components Analysis of Periplocae Cortex, Lycii Cortex, and Acanthopanacis Cortex Based on Mass Spectrometry Data and Chemometrics
Abstract
:1. Introduction
2. Results
2.1. The Results of UHPLC-QTOF-MSE Analysis
2.2. The Results of Chemometric Analysis
3. Discussion
3.1. Optimization of Analysis Conditions
3.2. Discussion on Chemometric Analysis
3.3. Discussion on Sample Representativeness
3.4. Discussion on Analysis Results
3.5. Research Advantage, Limitation, and Prospect
4. Materials and Methods
4.1. Experimental Materials
4.2. Reagent Materials
4.3. Sample Pretreatment and UHPLC-QTOF-MSE Analysis
4.4. Data Processing and Analysis
5. Conclusions
Supplementary Materials
Author Contributions
Funding
Institutional Review Board Statement
Informed Consent Statement
Data Availability Statement
Acknowledgments
Conflicts of Interest
References
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Composition | m/z | Fragment Ions | Adduct Ion | Molecular Formula |
---|---|---|---|---|
3,5-Di-O-caffeoylquinic acid | 517.1357 | 499.1244\355.1080\145.0284\135.0427 | [M+H]+ | C25H24O12 |
Lyciumin A | 874.3739 | 856.3706\666.2883\503.2260\486.2028 372.1536\181.0995 | [M+H]+ | C42H51N9O12 |
Lyciumin B | 897.3897 | 879.3695\851.3809\689.3059\643.2662\503.2247\395.1719\181.1010\159.0917 | [M+H]+ | C44H52N10O11 |
Periploside H2 | 1165.6003 | 819.4387\703.4024\657.3876 485.1868\323.1347\315.1425\203.0941\171.0657 | [M+H]+ | C56H92O25 |
Periplocoside C | 921.5216 | 161.0806\203.0914\305.1600\417.2136\587.3598\747.4313 | [M+H]+ | C49H76O16 |
Periplocoside B | 1065.5992 | 1035.5977\921.5239\747.4311\551.3381\439.2844\417.2163 | [M+H]+ | C56H88O19 |
Periplocoside | 719.3613 | 665.3542\535.3222\391.2525\373.1476\355.2287\337.2187\275.1131 | [M+Na]+ | C36H56O13 |
3-O-(β-D-glucopyranose (1→2)-β-D-glucopyranose)-16α-ethoxy -oleanolic acid-28-O-β-D-glucopyranoside | 1009.5346 | 807.4570\687.4120\371.1729\337.2332\291.1958\162.1353 | [M+Na]+ | C50H82O19 |
Kukoamine A | 531.3184 | 367.2711\293.1868\251.1363\222.1112\167.0721\165.0528\123.0441 | [M+H]+ | C28H42N4O6 |
5-Hydroxy-6,7-dimethoxyflavone-4′-O-beta-D-glucopyranoside | 499.1244 | 315.0693\171.1120\163.0667\145.0286 | [M+Na]+ | C23H24O11 |
2-Hydroxy-4-methoxybenzaldehyde | 153.0555 | 135.0420\125.0600\121.0285 | [M+H]+ | C8H8O3 |
Periplocoside K | 825.4255 | 629.2805\485.1865\325.1138\323.1341\203.0940 | [M+Na]+ | C40H66O16 |
N-FeruloyltyraMine | 314.1392 | 177.0548\134.0356 | [M+H]+ | C18H19NO4 |
N-caffeoyltyramine | 300.1238 | 121.0640 | [M+H]+ | C17H17NO4 |
3-O-acetyl-caffeic acid | 223.0606 | 123.0443\134.0367 | [M+H]+ | C11H10O5 |
1-Monopalmitin | 353.2667 | 313.2765\239.2404 | [M+Na]+ | C19H38O4 |
7-methoxycoumain [36] | 177.0552 | 162.0364\149.0584\133.0698\118.0383 | [M+H]+ | C10H8O3 |
Compounds | Class Median | Kruskal-Wallis-H Value | p | ||
---|---|---|---|---|---|
LC (n = 9) | AC (n = 6) | PC (n = 9) | |||
3,5-Di-O-caffeoylquinic acid | 5830.110 (2778.9, 9303.2) | 184,194.500 (181,343.5, 194,189.5) | 12,993.500 (11,643.9, 16396.9) | 20.25 | 0.000 ** |
Lyciumin A | 1,600,530.000 (355,550.0, 2,149,495.0) | 494.760 (487.2, 499.8) | 1889.880 (1871.3, 1922.7) | 20.25 | 0.000 ** |
Lyciumin B | 34,775.800 (26,950.8, 55,647.2) | 0.000 (0.0, 0.0) | 0.000 (0.0, 0.0) | 21.41 | 0.000 ** |
Periploside H2 | 26.202 (0.0, 24,765.5) | 82.655 (71.5, 107.0) | 292,979.000 (281,991.0, 353,838.5) | 16.72 | 0.000 ** |
Periplocoside C | 11,552.900 (10,465.3, 31,519.0) | 26,186.300 (25,263.7, 26,754.5) | 179,990.000 (140,397.0, 182,907.0) | 16.65 | 0.000 ** |
Periplocoside B | 8872.360 (8011.5, 44,087.2) | 23,943.500 (23,182.0, 24,265.3) | 152,935.000 (133,812.0, 212,033.0) | 16.65 | 0.000 ** |
Periplocoside | 262.189 (167.4, 11,596.4) | 2095.605 (1985.1, 2163.4) | 28,947.300 (27,909.1, 39,741.9) | 16.65 | 0.000 ** |
3-O-(β-D-glucopyranose (1→2)-β-D-glucopyranose) -16α-ethoxy-oleanolic acid -28-O-β-D-glucopyranoside | 0.000 (0.0, 5724.1) | 3487.590 (3211.4, 3559.4) | 31,907.300 (23,078.8, 45,327.4) | 16.91 | 0.000 ** |
Kukoamine A | 6,393,320.000 (4,404,335.0, 6,703,815.0) | 0.000 (0.0, 0.0) | 1055.530 (292.7, 1394.1) | 20.56 | 0.000 ** |
5-Hydroxy-6,7-dimethoxyflavone-4′-O-beta-D-glucopyranoside | 3283.940 (755.7, 5009.4) | 341,882.000 (334,246.8, 366,415.5) | 34,851.100 (22,416.1, 37,870.1) | 20.25 | 0.000 ** |
2-Hydroxy-4-methoxybenzaldehyde | 217.577 (95.0, 1380.7) | 3061.145 (3021.6, 3138.2) | 50,979.300 (20,609.9, 57,093.0) | 20.25 | 0.000 ** |
Periplocoside K | 3144.210 (224.8, 8289.9) | 2119.750 (2048.7, 2207.6) | 13,786.500 (12,795.0, 14,256.9) | 16.25 | 0.000 ** |
N-FeruloyltyraMine | 237,802.000 (146,926.5, 781,073.0) | 1271.425 (1259.4, 1344.9) | 1012.490 (786.3, 1113.7) | 18.89 | 0.000 ** |
N-caffeoyltyramine | 246,638.000 (85,521.4, 348,217.0) | 530.405 (501.3, 557.8) | 1011.030 (581.5, 1052.8) | 19.40 | 0.000 ** |
3-O-acetyl-caffeic acid | 18,414.500 (8236.1, 25,494.3) | 600.173 (542.5, 667.1) | 25,812.000 (18,788.3, 37,798.0) | 15.01 | 0.001 ** |
1-Monopalmitin | 377,254.000 (331,131.0, 602,292.0) | 63,102.600 (57,234.3, 67,633.6) | 36,612.100 (29,466.7, 42,631.4) | 20.25 | 0.000 ** |
7-methoxycoumain | 1629.570 (1294.6, 3267.7) | 602.553 (579.9, 627.4) | 20,946.200 (13,503.5, 23,814.5) | 20.25 | 0.000 ** |
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Wang, X.; Zhang, J.; He, F.; Jing, W.; Li, M.; Guo, X.; Cheng, X.; Wei, F. Differential Chemical Components Analysis of Periplocae Cortex, Lycii Cortex, and Acanthopanacis Cortex Based on Mass Spectrometry Data and Chemometrics. Molecules 2024, 29, 3807. https://doi.org/10.3390/molecules29163807
Wang X, Zhang J, He F, Jing W, Li M, Guo X, Cheng X, Wei F. Differential Chemical Components Analysis of Periplocae Cortex, Lycii Cortex, and Acanthopanacis Cortex Based on Mass Spectrometry Data and Chemometrics. Molecules. 2024; 29(16):3807. https://doi.org/10.3390/molecules29163807
Chicago/Turabian StyleWang, Xianrui, Jiating Zhang, Fangliang He, Wenguang Jing, Minghua Li, Xiaohan Guo, Xianlong Cheng, and Feng Wei. 2024. "Differential Chemical Components Analysis of Periplocae Cortex, Lycii Cortex, and Acanthopanacis Cortex Based on Mass Spectrometry Data and Chemometrics" Molecules 29, no. 16: 3807. https://doi.org/10.3390/molecules29163807