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Table 2 Ultra performance liquid chromatography (UPLC)-electrospray ionization (ESI)-Q/Orbitrap tandem mass analysis of medicinal herbs

From: Investigation of Brassica juncea, Forsythia suspensa, and Inula britannica: phytochemical properties, antiviral effects, and safety

Medicinal herbs Extract Solvents Compounds Retention time (min) m/z [M-H] MS2 fragment Molecular formula (Neutral form) Contents (μg/mg) References
Brassica juncea Ethanol Sinigrin 1.14 358.02533 96.95830 C10H17NO9S2 1.458 ± 0.027 [33, 34]
Chlorogenic acid 18.03 353.20108 96.95840 C16H18O9 < LOQa [35]
Water Sinigrin 1.18 358.02857 96.95876 C10H17NO9S2 4.116 ± 0.129 [33, 34]
р-Coumaric acid 5.67 163.03907 119.04838 C9H8O3 < LOQ [35]
Kaempferol 13.43 285.04058   C15H10O6 < LOQ [35, 36]
Chlorogenic acid 21.86 353.20112 96.95842 C16H18O9 < LOQ [35]
Forsythia suspensa Ethanol Caffeic acid 1.05 179.03373 135.04332 C9H8O4 < LOQ [37]
Arctigenin 1.08 371.12045 325.18523 C21H24O6 2.270 ± 0.122 [38, 39]
Vanillic acid 1.21 167.03438 123.04418, 108.02051 C8H8O4 0.653 ± 0.131 [37, 39]
Protocatechuic acid 2.18 153.01786 109.02791 C7H6O4 0.426 ± 0.026 [39, 40]
Astragalin 3.21 447.09172 269.10268 C21H20O11 0.730 ± 0.027 [38]
Forsythoside A 3.48 623.19776 179.03370 C29H36O15 168.735 ± 1.549 [38,39,40]
Chlorogenic acid 3.71 353.23580 191.05486, 96.95844 C16H18O9 0.351 ± 0.010 [39, 41]
Rutin 4.56 609.14181 300.02756 C27H30O16 < LOQ [39,40,41]
Forsythoside G 6.26 769.25908 179.03370 C35H46O19 < LOQ [39]
Quercetin 12.27 301.03568 178.99739, 151.00303 C15H10O7 0.245 ± 0.054 [37,38,39,40]
Kaempferol 12.56 285.04062   C15H10O6 < LOQ [38,39,40]
Water Forsythoside A 6.10 623.19745 179.03355 C29H36O15 78.735 ± 1.703 [38,39,40]
Chlorogenic acid 27.76 353.20124 96.95845 C16H18O9 0.530 ± 0.014 [39, 41]
Inula britannica Ethanol Protocatechuic acid 0.03 153.01790 109.02793 C7H6O4 0.428 ± 0.010 [13]
Caffeic acid 0.99 179.03378 135.04408 C9H8O4 < LOQ [13]
Chlorogenic acid 1.15 353.20122 191.05492, 96.95845 C16H18O9 0.579 ± 0.019 [14]
Ergolide 1.17 305.07113 96.95837 C17H22O5 < LOQ [13, 15, 42]
Syringic acid 1.47 197.80735 151.06027 C9H10O5 < LOQ [13]
Isoquercetin 2.81 463.08749 300.02766 C21H20O12 < LOQ [16]
Nepitrin 4.80 477.10246 315.05086 C22H22O12 < LOQ [13, 17]
Rutin 5.83 609.14910 300.02769 C27H30O16 0.664 ± 0.010  
Quercetin 5.84 301.03572 178.99742, 151.00220 C15H10O7 6.142 ± 0.390 [13, 15, 18, 19]
Kaempferol 6.34 285.04067   C15H10O6 0.221 ± 0.025 [12, 13, 17, 18]
6-Methoxyluteolin 6.50 315.05071 300.02767 C16H12O7 4.261 ± 0.137 [15, 17, 19]
Patuletin 9.60 331.04501 316.02324, 285.04065 C16H12O8 < LOQ [12, 13, 20]
Ferulic acid 10.92 193.04926 147.02829 C10H10O4 0.865 ± 0.012 [13]
Hispidulin 13.60 299.05650 284.03236 C16H12O6 0.867 ± 0.083  
Water Chlorogenic acid 0.02 353.20114 191.05487 C16H18O9 < LOQ [14]
Caffeic acid 0.11 179.03377 135.04334 C9H8O4 2.396 ± 0.028 [13]
Ergolide 0.95 305.06863 96.95835 C17H22O5 < LOQ [13, 15, 42]
Quercetin 1.02 301.20163 178.99738, 151.00216 C15H10O7 < LOQ [13, 15, 18, 19]
Vanillic acid 1.41 167.03338 123.04357 C8H8O4 0.824 ± 0.028 [13]
Protocatechuic acid 2.03 153.01789 109.02792 C7H6O4 0.177 ± 0.025 [13]
6-Methoxyluteolin 2.50 315.05063 300.02761 C16H12O7 < LOQ [15, 17, 19]
Kaempferol 13.36 285.04061   C15H10O6 < LOQ [12, 13, 17, 18]
  1. Experiments were conducted in triplicate
  2. Quantification of phytochemical compounds are shown as means ± standard deviations of three independent experiments
  3. aLOQ, limit of quantification