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Table 1 Chemical profiling analysis results of A. argyi ethanol extract

From: Artemisia argyi extract alleviates inflammation in a DSS-induced colitis mouse model and enhances immunomodulatory effects in lymphoid tissues

No

Name

Formula

Mass (Da)

Expected

Adduct

Found at

Error

MS/MS product ions

Identified

with

RT (min)

mass (Da)

(ppm)

1

Quinic acid

C7H12O6

192.0634

0.69

[M-H] −

191.0564

1.4

85.0319, 127.0407, 93.0362, 173.0461, 171.0303

#

2

Neochlorogenic acid

C16H18O9

354.0951

3.42

[M + H] +

355.1029

0.9

163.0394, 145.0285, 135.0443, 117.0339

†

[M-H] −

353.0873

-1.4

191.0558, 179.0348, 135.0453, 173.0448, 161.0240,155.0346, 134.0369

†

3

Chlorogenic acid

C16H18O9

354.0951

4.51

[M + H] +

355.1030

0.7

163.0394, 145.0293, 135.0450

†

[M-H] −

353.0881

0.8

191.0562, 161.0247, 179.0355, 173.0459, 85.0309

†

4

Cryptochlorogenic acid

C16H18O9

354.0951

4.73

[M + H] +

355.1028

0.5

163.0395, 145.0290, 135.0447, 117.0344

†

[M-H] −

353.0872

0.5

173.0455. 179.0349, 131.0560, 135.0454, 137.0240, 155.0348, 93.0357

†

5

Esculetin

C9H6O4

178.0266

4.88

[M + H] +

179.0339

-1.1

123.0438, 133.0264, 77.0384, 151.0349, 135.0430

†

[M-H] −

177.0194

0.2

133.0291, 105.0352, 149.0242, 89.0410

†

6

Caffeic acid

C9H8O4

180.0423

4.99

[M + H] +

181.0491

-2.3

169.0388, 135.0440, 145.0287, 117.0342, 89.0402, 107.0494

†

[M-H] −

179.0351

0.7

135.0453, 134.0376, 136.0483, 107.0506, 117.0352, 89.0416, 79.0569

†

7

1,5-dicaffeoylquinicacid

C25H24O12

516.1268

5.70

[M + H] +

517.1341

0.2

163.0389, 499.1224, 337.0915,145.0283,135.0442

†

[M-H] −

515.1195

0.0

353.0879, 179.0343, 191.0558, 335.0763, 135.0447

†

8

Apigenin-C-hexoside-C-pentoside (tentatively Schaftoside or isoschaftoside)

C26H28O14

564.1479

6.19

[M + H] +

565.1550

-0.4

547.1464, 427.1039, 511.1249, 529.1358, 409.0933, 379.0828

#

[M-H] −

563.1411

0.8

353.0682, 383.0787, 443.1005, 473.1114, 503.1221, 545.1333

#

9

scopoletin

C10H8O4

192.0423

6.90

[M + H] +

193.0495

-0.8

178.0253, 133.0380, 137.0591, 150.0311, 122.0359

†

[M-H] −

191.0352

0.9

176.0114, 148.0164, 104.0274, 120.0215

†

10

Rutin

C27H30O16

610.1534

6.98

[M + H] +

611.1604

-0.4

303.0510, 465.1046, 147.0651, 129.0548

#

[M-H] −

609.1464

0.4

300.0265, 301.0342, 271.0224, 255.0328, 131.0039

#

11

Vitexin

C21H20O10

432.1057

7.06

[M + H] +

433.1126

-0.7

313.0716, 283.0606, 337.0716, 397.0932,415.1026, 367.0819, 379.0819

#

[M-H] −

431.0980

-0.8

311.0561, 283.0614, 341.0668, 353.0693

#

12

Isoquercitrin

C21H20O12

464.0955

7.26

[M + H] +

465.1028

-1.7

303.0506, 145.0498, 85.0300

†

[M-H] −

463.0880

-0.5

300.0274, 301.0354, 271.0251, 255.0298,151.0034

†

13

Luteolin-7-O-B-D-glucoside (Cynaroside)

C21H20O11

448.1006

7.32

[M + H] +

449.1095

-0.9

449.1095,287.0559

#

[M-H] −

447.0934

0.3

285.0408, 284.0331, 327.0515

#

14

3,4-dicaffeoylquinicacid

C25H24O12

516.1268

7.70

[M + H] +

517.1338

-0.5

163.0391,499.1236, 319.0822, 227.0922, 145.0284,135.0443, 355.1038

†

[M-H] −

515.1197

0.3

353.0882, 173.0457, 179.0351, 131.0563, 335.0785,191.0563,335.0785

†

15

1,3-dicaffeoylquinicacid

C25H24O12

516.1268

7.86

[M + H] +

517.1338

-0.4

163.0393, 499.1237, 337.0929, 145.0285

†

[M-H] −

515.1195

0.9

353.0880, 191.0562, 179.0352, 161.0250, 335.0782, 135.0459

†

16

Isorhamnetin-3-O-galactorhamnoside

C28H32O16

624.1690

7.90

[M + H] +

625.1763

0.4

317.0659, 479.1174

#

17

3,5-dicaffeoylquinicacid

C25H24O12

516.1268

7.96

[M + H] +

517.1331

-1.8

163.0388, 499.1215, 319.0818, 337.0812, 135.0437, 145.0280, 355.1084

†

[M-H] −

515.1196

0.9

353.0887, 191.0563, 179.0350, 173.0466, 135.0453, 335.0779

†

18

Genistein glucoside

C21H20O10

432.1057

8.24

[M + H] +

433.1127

-0.5

271.0612, 433.1142

#

[M-H] −

431.0981

-0.7

268.0371, 269.0455, 267.0357, 311.0559, 240.0418

#

19

4,5-dicaffeoylquinicacid

C25H24O12

516.1268

8.41

[M + H] +

517.1341

0.3

163.0390, 499.1225, 337.0923, 145.0289, 319.0823, 135.0444

†

[M-H] −

515.1195

-0.4

353.0883, 173.0458, 179.0355, 191.0561, 203.0357, 135.0457

†

20

Scutellarein

C15H10O6

286.0477

9.32

[M + H] +

287.0553

1.0

287.0553

 

[M-H] −

285.0406

0.6

117.0375, 165.0164, 239.0345

#

21

Luteolin

C15H10O6

286.0477

10.37

[M + H] +

287.0553

0.9

153.0184, 241.0487, 137.0217, 135.0435, 161.0234

#

[M-H] −

285.0407

0.9

133.0297, 151.0039, 175.0400, 199.0399, 217.0506, 241.0511

#

22

Quercetin

C15H10O7

302.0427

10.39

[M + H] +

303.0500

0.3

303.0517

†

[M-H] −

301.0353

-0.4

151.0032, 178.9977, 121.0303, 273.0414, 107.0148

†

23

3-methyl quercetin

C16H12O7

316.0583

11.01

[M + H] +

317.0657

0.5

302.0423, 301.0338, 274.0469, 285.0406, 228.0425

†

[M-H] −

315.0511

0.1

300.0276, 271.0246, 255.0289, 243.0296

†

24

apigenin

C15H10O5

270.0528

11.78

[M + H] +

271.0602

0.5

153.0175, 119.0497, 91.0562, 188.9171

#

[M-H] −

269.0455

-0.2

151.0038, 117.0353, 149.0241, 225.0558

#

25

arteannuin B

C15H20O3

248.1412

11.89

[M + H] +

249.1484

-0.5

231.1376, 185.1319, 143.0848, 119.0857. 203.1420, 105.0708

Ref.[30]

26

Jaceosidin

C17H14O7

330.0740

12.47

[M + H] +

331.0803

-0.1

316.0571, 301.0337, 273.0393, 245.0438, 168.0056

Ref.[31, 32]

27

Eupatilin

C18H16O7

344.0896

14.61

[M + H] +

345.0964

1.0

330.0737, 329.0778,168.0056, 315.0503

†

[M-H] −

343.0825

0.5

328.0597, 313.0356, 298.0127, 285.0410, 270.0176

†

28

Quercetagetin 3,6,7,3'-tetramethyl ether

C19H18O8

374.1002

15.54

[M + H] +

375.1074

-0.1

360.0845, 359.0765, 342.0738,345.0609, 317.0659, 311.0553, 299.0548

#

[M-H] −

373.0931

0.5

358.0703, 343.0466, 300.0580, 315.0515, 328.0230, 285.0043

#

  1. # In-house ms/ms library and online database; such as GNPS, MASS bank or Metlin
  2. † Reference standard