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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]

Ñ€-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