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Table 1 UPLC-DAD-MS/MS analysis of phytochemicals in PJH

From: Protective effect of Palmijihwanghwan in a mouse model of cigarette smoke and lipopolysaccharide-induced chronic obstructive pulmonary disease

No.

RT (min)

Formula

Adduct

Calculated (m/z)

Measured (m/z)

Error (ppm)

MS/MS (m/z)

Identifications

1

1.34

C4H6N4O3

M-H

157.0356

157.0352

−2.9312

–

allantoin [34]

2

2.31

C7H6O5

M-H

169.0131

169.0128

−1.8762

169.0127, 125.0227

gallic acid [35]

3

3.66

C6H6O3

M + H

127.039

127.0388

−1.3138

127.0388, 109.0286

5-hydroxymethyl-2-furaldehyde [36]

4

4.81

C16H24O10

M-H

375.1297

375.1290

−1.7919

375.1288, 213.0756, 169.0854, 151.0745, 99.0432

loganic acid [37]

5

5.05

C23H28O12

M-H

495.1497

495.1497

0.0952

495.1493, 465.1373, 333.0974, 165.0540, 137.0227

oxypaeoniflorin [35]

6

5.07

C7H6O3

M + H

139.039

139.0385

−3.2855

139.0386, 121.0283

4-hydroxybenzoic acid [36]

7

5.09

C17H26O11

M + HCO2

451.1457

451.1447

−2.1393

243.0865, 179.0544, 155.0333, 141.0540, 123.0431

morroniside [37]

8

5.47

C9H8O4

M-H

179.0338

179.0337

−1.1677

179.0335, 135.0434

caffeic acid [37]

9

5.49

C24H39NO7

M + H

454.2799

454.2781

−3.9464

454.2783

fuziline [38]

10

5.56

C20H28O12

M + HCO2

505.1552

505.1553

0.2417

293.0879, 233.0661, 165.0541

paeonolide [35]

11

5.61

C17H26O10

M + HCO2

435.1508

435.1496

−0.2423

227.0916, 127.0378, 101.0224

loganin [37]

12

5.79

C20H28O12

M + HCO2

505.1563

505.1554

0.4229

293.0866, 165.0541

apiopaeonoside [35]

13

5.79

C16H22O9

M + HCO2

403.1235

403.1236

0.3444

357.1180, 195.0650, 179.0541, 125.0226, 81.0327

sweroside [37]

14

5.89

C15H20O8

M-H

327.1074

327.1079

1.3319

327.1071, 165.0541

paeonoside [35]

15

6.00

C23H28O11

M + H

481.1704

481.1687

−3.6772

179.0697, 151.0749, 133.0645

albiflorin [35]

16

6.26

C23H28O11

M + HCO2

525.1603

525.1600

−0.4438

449.1456, 327.1077, 165.0542, 121.0277

paeoniflorin [35]

17

7.72

C24H30O14

M-H

541.1563

541.1552

−1.9728

541.1540, 169.0127, 125.0226

cornuside [37]

18

8.45

C31H43NO10

M + H

590.2960

590.2938

0.7952

590.2941, 540.2575

benzoylmesaconine [38]

19

8.68

C9H6O2

M + H

147.0441

147.0436

−3.1667

147.0436, 103.0544, 91.0545, 65.0393

coumarin [39]

20

10.73

C30H32O12

M + HCO2

629.1876

629.1862

−0.4192

431.1345, 165.0542, 121.0277

benzoyl-paeoniflorin [35]

21

11.83

C9H10O3

M + H

167.0703

167.0698

−2.5769

167.0698

paeonol [35]

22

17.74

C30H50O5

M + HCO2

535.3629

535.3629

−0.1426

535.3597, 471.3463

alisol A [40]

23

20.56

C33H52O5

M-H

527.3731

527.3730

−0.2186

–

pachymic acid [41]