Table 1 Metabolites identified in Astragalus samples extracts using UPLC-MS in negative ionization mode.

From: Alleviation of liver cirrhosis and associated portal-hypertension by Astragalus species in relation to their UPLC-MS/MS metabolic profiles: a mechanistic study

No

Rt (min.)

[M-H]−

Element composition

MSn ions m/z (-)

Identified compounds

Chemical class

1

1.10

341.29

C15H18O9

179.15, 135.14

Caffeic acid-O-hexoside

Phenolic acid

2

1.21

191.16

C7H12O6

127.12

Quinic acid

Phenolic acid

3

1.26

133.08

C4H6O5

115, 71

Malic acid

Dicarboxylic acid

4

1.35

169.11

C7H6O5

125.1

Gallic acid

Phenolic acid

5

1.50

353.3

C16H18O9

191.16, 179.15

Chlorogenic acid

Phenolic acid

6

1.60

179.15

C9H8O4

135.14

tr-caffeic acid

Phenolic acid

7

1.69

197.17

C9H10O5

153.16, 182.14

Syringic acid

Phenolic acid

8

1.83

359.31

C18H16O8

197.1, 179.1, 161.13

Rosmarinic acid

Phenolic acid

9

1.88

725.63

C32H38O19

593.52, 447.38, 285.23, 133.12, 151.1

Kaempferol-O-rutinoside-O-arabinoside

Flavonoidal glycoside

10

2.32

755.65

C33H40O20

623.54, 477.4, 315.26, 271.2, 151.1

Isorhamnetin-O-rutinoside-O-arabinoside

Flavonoidal glycoside

11

2.67

341.29

C12H22O11

113.09, 119.1, 161.13, 179.15

Dihexose

Disaccharide

12

2.87

609.51

C27H30O16

301.23, 272.21, 255.2, 151.1

Rutin (quercetin-3-O-rutinoside)

Flavonoidal glycoside

13

10.71

595.53

C27H32O15

449.39, 287.24, 151.1

Eriodyctiol-7-O-rutinoside

Flavonoidal glycoside

14

10.79

623.54

C28H32O16

315.26, 300.22, 271.2, 151.1

Isorhamnetin-3-O-rutinoside

Flavonoidal glycoside

15

11.31

193.18

C10H10O4

178.15,149.17

ferulic acid

Phenolic acid

16

11.93

531.44

C25H24O13

283, 136.11, 211.19, 239.2, 268.22

Calycosin-7-O-B-D-glucoside-6``-O-malonate

Flavonoidal glycoside

17

12.39

515.44

C25H24O12

429.4, 267.26

Formononetin-7-O-glucoside-6``-O-malonate

Flavonoidal glycoside

18

13.33

579.53

C27H32O14

271.25, 151.1, 119.14, 107.09

Naringin

Flavonoidal glycoside

19

13.81

463.37

C21H20O12

301.23, 272.21, 255.2, 151.1

Hyperoside (Quercetin-3-O-galactoside)

Flavonoidal glycoside

20

13.98

447.37

C21H20O11

357.29, 327.27, 285.23

Orientin (Luteolin-8-C-glucoside)

Flavonoidal glycoside

21

14.04

447.37

C21H20O11

285.23, 133.12, 151.1

Astragalin (Kaempferol-3-O-glucoside)

Flavonoidal glycoside

22

14.15

449.39

C21H22O11

287.24, 151.1

Eriodyctiol-7-O-glucoside

Flavonoidal glycoside

23

14.20

477.4

C22H22O12

315.26, 300.22, 271.2, 151.1

Isorhamnetin-3-O-B-D-glucoside

Flavonoidal glycoside

24

14.33

447.37

C21H20O11

301.23, 272.21, 255.2, 151.1

Quercetin-3-O-rhamnoside (Quercitrin)

Flavonoidal glycoside

25

15.91

431.37

C21H20O10

341.29, 311.27, 269.23

Vitexin (Apigenin-8-C-glucoside)

Flavonoidal glycoside

26

18.44

461.4

C22H22O11

299.26

Rhamnocitrin-O-glucoside

Flavonoidal glycoside

27

20.16

461.4

C22H22O11

299.26

Pratensein-7-O-B-D-glucoside

Flavonoidal glycoside

28

21.21

429.4

C22H22O9

267.26

Ononin (Formononetin-7-O-glucoside)

Flavonoidal glycoside

29

21.36

461.44

C23H26O10

299.3

9,10-dimethoxypterocarpan-3-O-B-D-glucoside

Flavonoidal glycoside

30

21.53

461

 

299.1, 268.8

(-)-methylinissolin-3-O-B-D-glucoside

Flavonoidal glycoside

31

21.89

317.23

C15H10O8

179.11, 151.1, 137.11

Myricetin

Flavonoidal aglycone

32

22.01

301.23

C15H10O7

272.21, 255.2, 151.1

Quercetin

Flavonoidal aglycone

33

22.11

481.43

C25H22O10

301.2, 453.42

Silymarin

Flavonolignans

34

22.30

271.25

C15H12O5

151.1, 119.14, 107.09

Naringenin

Flavonoidal aglycone

35

22.69

301.27

C16H14O6

286.24, 164.12, 136.15

Hesperetin

Flavonoidal aglycone

36

22.91

253.23

C15H10O4

209.22, 135.1

Daidzein

Flavonoidal aglycone

37

23.19

255.25

C15H12O4

135.1, 119.14

Isoliquiritigenin

Chalcone derivative

38

23.45

285.23

C15H10O6

133.12, 151.1

Kaempferol

Flavonoidal aglycone

39

23.69

269.23

C15H10O5

225.22, 151.1, 117.13

Apigenin

Flavonoidal aglycone

40

24.10

315.26

C16H12O7

300.22, 271.2, 151.1

Isorhamnetin

Flavonoidal aglycone

41

24.56

253.23

C15H10O4

209.22, 151.1

Chrysin

Flavonoidal aglycone

42

28.25

283.26

C16H12O5

136.11, 211.19, 239.2, 268.22

Calycosin

Flavonoidal aglycone

43

28.39

783.96

C41H68O14

651.85, 621.82, 489.71, 179.15, 161.13, 149.12, 131.11

Astragaloside IV

Cycloartane saponin

44

29.05

826

C43H70O15

764.94, 632.83, 88.7

Astragaloside II

Cycloartane saponin

45

29.43

942.12

C48H78O18

795.98, 633.84, 439.7, 421.68

Soyasaponin I

Oleanane saponin

46

30.04

868.04

C45H72O16

824.99, 781.95, 692.88, 662.85, 488.7

Astragaloside I

Cycloartane saponin

47

32.43

912.09

C47H76O17

868.08, 647.87

Astragaloside VIII

Cycloartane saponin

48

33.88

277.42

C18H30O2

259.4

Linolenic acid

polyunsaturated omega-3 fatty acid

49

34.03

329.45

C18H34O5

171.21

9,10,13-trihydroxy-11-octadecenoic acid

monounsaturated fatty acid

50

34.18

269.44

C17H34O2

238.41, 74.08

Palmitic acid methyl ester

saturated fatty acid ester

51

34.53

269.44

C17H34O2

238.41, 74.08, 43.09

14-methyl pentadecanoic acid methyl ester

saturated fatty acid ester

52

34.75

279.44

C18H32O2

261.42

Linoleic acid

polyunsaturated omega-6 fatty acid

53

34.93

293.47

C19H34O2

279.44, 261.42

Linoleic acid methyl ester

polyunsaturated omega-6 fatty acid ester

54

35.00

295.48

C19H36O2

264.45, 221.4, 74.08, 55.1

16-octadecenoic acid methyl ester

monounsaturated fatty acid ester

55

35.79

369.56

C22H42O4

55.1

Hexanedioic acid dioctyl ester

saturated fatty acid diester

56

36.11

339.58

C22H44O2

321.56, 295.57

Behenic acid

saturated fatty acid

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