Table 1 Identification of components in AR and AR absorbed in blood by UPLC-Q-Orbitrap HRMS

1

1.18

[M + H]

146.1055

-0.18

147.1128, 130.0864, 123.9652, 102.0918, 93.0371, 84.0814

C₆H₁₄N₂O₂

DL-Lysine

2

1.31

[M + H]

176.0909

-0.24

177.0985, 160.0719, 149.0299, 120.0659, 118.0503, 102.0555

C₅H₁₂N₄O₃

Canavanine

3

1.33

[M + H]

137.0479

1.54

138.0552, 136.0397, 110.0606, 96.045, 94.0658

C₇H₇NO₂

Trigonelline

4

1.34

[M + FA-H]

342.1161

-0.22

341.1087, 229.315, 179.0557, 161.0449, 149.0449

C₁₂H₂₂O₁₁

Sucrose

5

1.47

[M-H]

162.0521

-4.61

161.0449, 143.0334, 131.034, 101.0235, 99.0442

C₆H₁₀O₅

3-Hydroxy-3-methylglutaric acid

6

1.78

[M-H-H₂O]

324.0359

0.03

308.63, 211.0009, 202.919, 111.0191, 96.9686, 78.958

C₉H₁₃N₂O₉P

Uridine monophosphate (UMP)

7

1.81

[M-H]

192.0267

-2.60

191.0192, 173.0084, 154.9981, 147.0298, 129.0185, 111.0078

C₆H₈O₇

Citric acid

8

1.92

[M + H]

329.0533

2.22

330.0603, 273.1199, 213.016, 202.0725, 196.0732, 136.0621

C₁₀H₁₂N₅O₆P

Adenosine3′5'-cyclic monophosphate

9

1.95

[M-H]

345.0478

1.12

344.0401, 192.9904, 150.0414, 133.0147, 126.03

C₁₀H₁₂N₅O₇P

Guanosine cyclic monophosphate

10

1.97

[M-H]

244.0695

-0.14

243.0622, 200.0559, 182.0459, 168.7182, 140.0346, 122.0238

C₉H₁₂N₂O₆

Uridine

11

2.01

[M-H]

181.0739

-0.20

182.0797, 165.0548, 147.0442, 136.0758, 123.0443

C₉H₁₁NO₃

2-Hydroxyphenylalanine

12

2.40

[M + H]

267.0979

4.45

268.1044, 196.4948, 152.0552, 137.0459, 136.0621

C₁₀H₁₃N₅O₄

Adenosine

13

2.68

[M + H]

283.0923

2.34

284.098, 247.9412, 198.3079, 154.025, 152.057

C₁₀H₁₃N₅O₅

Guanosine

14

3.36

[M + H]

281.1133

3.07

282.12, 253.4694, 219.9867, 147.0652, 136.062

C₁₁H₁₅N₅O₄

2'-O-Methyladenosine

15

3.52

[M + H]

151.0501

4.34

152.057, 135.0304, 128.0457, 124.04, 110.0354

C₅H₅N₅O

Guanine

16

3.53

[M + H]

165.0788

-1.39

166.0863, 148.039, 138.0546, 131.0493, 120.081

C₉H₁₁NO₂

L-Phenylalanine

17

4.13

[M-H]

256.0584

0.30

255.0508, 246.9623, 211.0602, 193.0503, 179.0343, 165.055

C₁₁H₁₂O₇

Piscidic acid

18

4.85

[M + H]

145.0530

1.80

146.0605, 140.3426, 128.071, 118.0656, 110.0605

C₉H₇NO

4-Indolecarbaldehyde

19

5.19

[M-H]

462.1377

0.66

461.1295, 443.1768, 404.2693, 281.067, 239.0551, 209.0454

C₁₉H₂₆O₁₃

Sibiricose A3

20

5.39

[M-H]

159.0889

-4.26

158.0815, 133.1278, 116.0708, 114.0915, 112.0508

C₇H₁₃NO₃

N-Acetylvaline

21

5.94

[M-H]

176.0679

-3.08

175.0606, 157.05, 131.0705, 129.055, 115.0392

C₇H₁₂O₅

2-Isopropylmalic acid

22

6.16

[M-H]

168.0418

-2.96

167.0341, 152.0107, 139.0027, 123.0443, 108.0207

C₈H₈O₄

Vanillic acid

23

6.64

[M-H]

160.073

-4.09

159.0656, 141.055, 130.9827, 115.0756, 97.0649

C₇H₁₂O₄

Pimelic acid

24

7.38

[M + H]

376.1399

4.24

377.1461, 359.1355, 316.13, 293.1228, 285.0993, 277.6668

C₁₇H₂₀N₄O₆

Riboflavin

25

8.13

[M + H]

152.0479

3.75

153.055, 135.0809, 125.0601, 111.0446, 110.0368

C₈H₈O₃

Vanillin

26

9.19

[M + H]

446.1210

-0.70

447.1296, 285.0761, 270.0526, 253.0499, 269.0447

C₂₂H₂₂O₁₀

Glycitin

27

9.21

[M-H]

283.0612

-0.02

283.0611, 068.0377, 251.0346, 239.0348, 224.0475

C₁₆H₁₂O₅

Calycosin

28

9.56

[M-H]

246.1004

-0.23

245.093, 203.0821, 201.1025, 186.0555, 183.0924, 116.0496

C₁₃H₁₄N₂O₃

N-Acetyl-DL-tryptophan

29

9.73

[M + H]

432.1069

2.96

433.23, 354.3557, 332.1812, 299.1601, 271.0605

C₂₁H₂₀O₁₀

Genistin

30

9.99

[M-H]

610.1536

0.32

609.1458, 563.1987, 433.0979, 415.0896, 371.1057, 193.0501

C₂₇H₃₀O₁₆

Rutin

31

10.05

[M-H]

460.1009

0.72

459.093, 283.061, 268.0376, 239.0345, 224.0483

C₂₂H₂₀O₁₁

Wogonoside

32

10.07

[M + H]

284.0687

0.95

285.0761, 270.0522, 263.1551, 253.0495, 225.0552

C₁₆H₁₂O₅

Biochanin A

33

10.59

[M-H]

262.1418

0.97

261.1343, 187.097, 169.0862, 161.3586, 143.1068

C₁₂H₂₂O₆

9-(2,3-dihydroxypropoxy)-9-oxononanoic acid

34

10.72

[M + H]

369.1578

0.46

370.1654, 352.1547, 339.1221, 336.1238, 306.0869, 290.094

C₂₁H₂₃NO₅

Allocryptopine

35

10.80

[M + H]

488.1319

-0.01

489.1417, 471.3192, 453.3059, 371.2288, 296.1868

C₂₄H₂₄O₁₁

6''-O-Acetylglycitin 6''-O-Acetyl Daidzein

36

11.09

[M-H]

188.1043

-3.18

187.097, 169.0868, 143.1068, 123.0718, 125.0963

C₉H₁₆O₄

Azelaic acid

37

11.11

[M-H]

166.0624

-3.63

165.055, 147.0443, 135.0453.121.0649, 119.0493

C₉H₁₀O₃

3-Phenyllactic acid

38

11.18

[M-H]

270.0529

0.21

269.0454, 241.0502, 237.0554, 225.0553, 231.0549

C₁₅H₁₀O₅

Genistein

39

11.72

[M + H]

430.1266

0.44

431.1339, 299.0935, 269.0812, 254.0577, 237.0549

C₂₂H₂₂O₉

Ononin

40

11.91

[M + H]

254.0588

3.36

255.0656, 237.0548, 227.0707, 219.1373, 209.0607

C₁₅H₁₀O₄

Daidzein

41

12.13

[M + H]

256.0738

0.89

257.0812, 242.0579, 239.0706, 223.4929, 215.0699, 147.0444

C₁₅H₁₂O₄

Isoliquiritigenin

42

12.17

[M-H]

515.2923

1.24

514.2841, 124.0064, 106.98, 79.9564, 66.3379

C₂₆H₄₅NO₇S

Taurocholic acid

43

12.19

[M + H]

462.1529

0.65

463.2562, 327.1236, 301.1072, 286.0807, 241.086, 167.0706

C₂₃H₂₆O₁₀

Methylnissolin-3-O-glucoside

44

12.21

[M + H]

187.0629

-2.47

188.071, 181.1584, 170.0604, 167.1744, 146.0603

C₁₁H₉NO₂

Indole-3-acrylic acid

45

12.41

[M + FA-H]

464.1683

0.00

463.1581, 443.6863, 399.105, 341.4269, 310.5716, 301.108

C₂₃H₂₈O₁₀

Isomucronulatol 7-O-glucoside

46

12.44

[M-H]

202.1201

-2.15

201.1127, 194.9919, 183.1021, 157.1229, 139.112

C₁₀H₁₈O₄

3-tert-Butyladipic acid

47

12.54

[M + H]

516.1269

0.22

517.1362, 419.5182, 307.0505, 269.0813, 254.0581

C₂₅H₂₄O₁₂

Formononetin 7-O-glucoside-6''-O-malonate

48

12.88

[M + H]

270.0892

-0.07

271.097, 253.1623, 239.0707, 161.06, 147.0442, 137.06

C₁₆H₁₄O₄

Medicarpin

49

13.96

[M + H]

284.0684

-0.14

285.0762, 270.0527, 257.0817, 253.0500, 249.7172

C₁₆H₁₂O₅

Glycitein

50

14.14

[M + H]

300.0639

1.62

301.0711, 286.0476, 273.0763, 269.0448, 258.0525

C₁₆H₁₂O₆

Diosmetin

51

14.75

[M + H]

194.1309

1.07

195.1385, 177.1278, 107.0861, 95.0862, 93.0705, 81.0706

C₁₂H₁₈O₂

Sedanolide

52

14.80

[M + H]

164.1203

1.24

165.1277, 147.1171, 137.096, 123.1171, 121.1016, 119.086

C₁₁H₁₆O

Jasmone

53

14.85

[M-H]

330.2406

-0.66

329.2332, 311.2210, 293.2120, 228.8605, 229.1444

C₁₈H₃₄O₅

(15Z)-9,12,13-Trihydroxy-15-octadecenoic acid

54

15.11

[M-H-H₂O]

784.4620

1.34

782.57, 758.5696, 703.5757, 552.4032, 414.3221

C₄₁H₆₈O₁₄

Astragaloside IV

55

15.27

[M + H]

315.2418

2.69

316.2485, 257.1745, 175.4363, 155.1436, 149.3798, 95.0861

C₁₇H₃₃NO₄

Decanoylcarnitine

56

15.34

[M-H]

408.2877

0.23

407.2801, 389.2693, 371.26, 363.2912, 353.2492

C₂₄H₄₀O₅

Cholic acid

57

15.34

[M + H]

268.0738

1.05

269.0813, 254.0578, 237.0551, 226.0629, 231.0914

C₁₆H₁₂O₄

Formononetin

58

15.85

[M + H]

298.0853

4.10

299.0919, 284.0683, 266.0578, 255.0656, 238.0628

C₁₇H₁₄O₅

Mosloflavone

59

16.10

[M-H]

328.2249

-0.12

327.2118, 309.2084, 291.1954, 239.1292, 229.1442, 211.1335

C₁₈H₃₂O₅

Corchorifatty acid F

60

16.14

[M-H]

449.3142

0.08

448.3066, 386.3057, 324.6598, 204.116, 192.1167, 88.6858

C₂₆H₄₃NO₅

Glycoursodeoxycholic acid

61

16.15

[M + H]

272.1779

1.05

273.1854, 255.1743, 245.1904, 237.1637, 227.1791

C₁₈H₂₄O₂

19-Norandrostenedione

62

16.20

[M-H]

499.2972

0.93

498.2891, 342.0472, 152.6066, 124.0066, 106.9798

C₂₆H₄₅NO₆S

Taurochenodeoxycholic acid

63

16.88

[M + H]

942.5195

0.71

943.5283, 599.394, 581.386, 411.3629, 141.0184, 85.0291

C₄₈H₇₈O₁₈

Soyasaponin I

64

17.15

[M + H]

454.3450

0.64

455.3525, 437.3423, 419.3319, 297.222, 279.2116

C₃₀H₄₆O₃

Dehydrotrametenolic acid

65

18.71

[M-H]

294.1832

0.35

293.1757, 236.1051, 221.1543, 220.1465, 205.1231

C₁₇H₂₆O₄

6-Gingerol6-Gingerol

66

19.32

[M-H]

392.2929

0.67

391.2855, 378.2416, 253.8428, 197.8076, 160.8415

C₂₄H₄₀O₄

Deoxycholic acid

67

19.96

[M + H]

512.3489

-2.42

513.3558, 432.4901, 320.8299, 269.7129, 241.5211

C₃₂H₄₈O₅

3-Acetyl-11-keto-β-boswellic acid

68

20.35

[M + H]

182.0735

1.56

183.0806, 159.9691, 154.9904, 150.9572, 141.9834, 105.034

C₁₃H₁₀O

Benzophenone

69

21.38

[M + H]

299.2829

1.63

282.2798, 264.2694, 252.2685, 121.1015, 109.1018

C₁₈H₃₇NO₂

D-Sphingosine

70

24.13

[M-H]

294.2197

0.83

293.2119, 275.2017, 235.1701, 231.2118, 221.1547

C₁₈H₃₀O₃

13(S)-HOTrE

71

27.07

[M-H]

489.3589

-0.82

489.3589, 471.3436, 413.341, 326.8288, 280.116

C₃₀H₅₀O₅

Cycloastragenol

72

32.72

[M + H]

255.2564

0.89

256.264, 185.6238, 176.7254, 148.2043, 144.1391

C₁₆H₃₃NO

Hexadecanamide

73

32.84

[M-H]

304.2401

-0.58

303.2327, 265.3597, 259.2428, 205.1955, 122.1624

C₂₀H₃₂O₂

Arachidonic acid

74

33.26

[M + H]

281.2721

0.96

282.2797, 265.2531, 247.2423, 226.2181, 212.2006

C₁₈H₃₅NO

Oleamide

75

35.15

[M-H]

256.2401

-0.47

255.2329, 220.258, 119.0493

C₁₆H₃₂O₂

Palmitic acid

76

36.08

[M + H]

283.2881

2.17

284.2953, 246.3729, 197.5283, 189.7503, 128.1083

C₁₈H₃₇NO

Stearamide

77

37.69

[M-H]

456.3604

0.00

455.3531, 437.3395, 409.3479, 353.2882, 283.2651

C₃₀H₄₈O₃

Ursolic acid