Skip to main content

Table 3 UHPLC-MS/MS chemical profiling of SGR after different pretreatments and drying

From: Influence of different pretreatments and drying methods on the chemical compositions and bioactivities of Smilacis Glabrae Rhizoma

Peak no.

Rt (min)

Selected ion

Observed/ calculate mass (m/z)

Error

Formula

MS/MS fragmentation patterns

0 min

Su.D

Sh.D

Ov.D

Identification

Ref

Classification

65℃

105℃

1

0.333

[M-H]−

341.1093/341.1089

1.1

C12H22O11

179, 113, 101

B, S

U, B, S

U, B, S

U, B, S

U, B, S

Sucrose

[34]

Others

2

0.373

[M-H]−

191.0206/191.0197

4.5

C6H8O7

111

U, B, S

U, B, S

U, B, S

U, B, S

U, B, S

Citric acid

[35]

Organic acid

3

0.967

[M-H]−

315.0726/315.0722

1.5

C13H16O9

152, 109, 108

B, S

U, B, S

U, B, S

U, B, S

U, B, S

Protocatechuic acid hexoside (isomer)

[36,37,38]

Phenolic acid

4

1.037

[M-H]−

255.0519/255.051

3.4

C11H12O7

179,165,125,107

 

U, B, S

U, B, S

U, B, S

U, B, S

piscidic acid

[39]

Organic acid

5

1.36

[M-H]−

359.098/359.0984

2

C15H20O10

197, 182, 153, 138, 123

U, B, S

U, B, S

U, B, S

U, B, S

U, B, S

4-glucopyranosyloxy-3,5-dimethoxy benzoic acid

[40]

Organic acid

6

1.845

[M-H]−

577.1378/577.1352

4.6

C30H26O12

425, 407, 381, 289, 245, 125

S

U, B, S

U, B

B, S

U, B, S

Procyanidin B1

[37]

Tannin

7

2.111

[M-H]−

289.0722/289.0718

1.5

C15H14O6

271, 245, 205, 179, 151

U, S

    

Catechin

[14, 35]

Flavonoid

8

2.256

[M-H]−

469.1147/469.114

1.4

C24H22O10

315, 289, 247, 205, 109

S

B, S

B, S

U, B, S

U, B, S

(2R,3S)-8-[β-(3,4-dihydroxyphenyl)-α-carboxyl-3-oxopropyl]-substituted catechin

[14, 41]

Flavonoid

9

2.262

[M-H]−

239.0556/239.0561

− 2.1

C11H12O6

149, 133, 107

B, S

U, B, S

U, B, S

U, B, S

U, B, S

Syringic acid acetate

[42]

Phenolic acid

10

2.445

[M-H]−

335.0783/335.0772

3.1

C16H16O8

291, 179, 161, 135

S

S

S

  

3-O-caffeoyl-γ-quinide

[43]

Others

11

2.556

[M-H]−

387.1290/387.1297

-1.7

C17H24O10

207, 192, 177

U, B

U, B, S

U, B, S

U, B, S

U, B, S

3-(β-d-glucopyranosyloxy)-1-(4-hydroxy-3,5-dimethoxyphenyl)-1-propanone

[14]

Others

12

2.579

[M-H]−

577.1375/577.1352

4

C30H26O12

425, 407, 381, 289, 245, 125

S

U, B, S

U, B, S

S

U, B, S

Procyanidin B2

[37]

Tannin

13

2.626

[M-H]−

335.0760/335.0772

− 3.6

C16H16O8

291, 179, 161, 135

B, S

B, S

   

(Trans) caffeoylshikimic acid II

[44]

Organic acid

14

2.748

[M-H]−

335.0765/335.0772

− 2.1

C16H16O8

291, 179, 161, 135

S

B, S

U, B, S

U, B, S

U, B, S

Caffeoylshikimic acid III

[44]

Organic acid

15

2.874

[M-H]−

289.0716/289.0718

− 0.5

C15H14O6

205, 201, 187, 151, 123, 109

U, B, S

U, B, S

U, B, S

U, B, S

U, B, S

Epicatechin

[35]

Flavonoid

16

3.078

[M-H]−

335.0775/335.0772

0.8

C16H14O8

291, 179, 161, 135

U

U, B

U, B, S

U, B, S

U, B, S

5-O-caffeoylshikimic acid

[14, 45]

Organic acid

17

3.134

[M-H]−

461.1687/461.1665

4.8

C20H30O12

415, 191, 149, 113

S

U, B, S

U, B, S

U, B, S

U, B, S

Decaffeoylverbascoside

[46]

Others

18

3.582

[M-H]−

339.0730/339.0722

2.5

C15H16O9

193, 192

U, B, S

U, B, S

U, B, S

U, B, S

U, B, S

Smiglanin

[14, 47]

Others

19

3.608

[M-H]−

237.0770/237.0769

0.6

C12H14O5

145,119,117

B, S

U, B, S

U, B, S

U, B, S

U, B, S

1-O-coumaroylglycerol

[48]

Others

20

3.817

[M-H]−

335.0780/335.0772

2.3

C16H16O8

291, 179, 161, 135

B, S

U, B, S

U, B, S

U, B, S

U, B, S

Caffeoylshikimic acid IV

[44]

Organic acid

21

3.899

[M-H]−

465.1047/465.1039

1.9

C21H22O12

437, 303, 285, 179, 151

U

U, B

U, B, S

U, B, S

U, B, S

Taxifolin-3'-O-glucoside

[36]

Flavonoid

22

4.218

[M-H]−

465.1045/465.1039

1.4

C21H22O12

303, 285, 275, 151

S

    

Taxifolin-3-glucopyranoside

[49]

Flavonoid

23

4.774

[M-H]−

451.1050/451.1034

3.4

C24H20O9

341

B

U, B, S

U, B, S

U, B, S

U, B, S

Cinchonain Ia

[41]

Tannin

24

4.925

[M-H]−

447.0931/447.0933

− 0.5

C21H20O11

283, 255, 239, 211

B, S

U

U, B

S

 

Kaempferol-3-O-galactoside

[50]

Flavonoid

25

4.952

[M-H]−

449.1111/449.1089

4.9

C21H22O11

303, 285, 151

U, B, S

U, B, S

U, B, S

U, B, S

U, B, S

Neoastilbin

[14]

Flavonoid

26

5.183

[M-H]−

449.1098/449.1089

1.9

C21H22O11

303, 285, 151

U, B, S

U, B, S

U, B, S

U, B, S

U, B, S

Astilbin

[45]

Flavonoid

27

6.194

[M-H]−

463.0865/463.0882

− 3.7

C21H20O12

299, 271, 255, 243, 231

B

 

B

  

Isoquercitrin

[51]

Flavonoid

28

6.201

[M-H]−

449.1099/449.1089

2.1

C21H22O11

303, 285, 151

U, B, S

U, B, S

U, B, S

U, B, S

U, B, S

Neoisoastilbin

[14]

Flavonoid

29

6.225

[M-H]−

447.0947/447.0933

0.9

C21H20O11

285, 255, 239, 179, 159

B, S

 

U, B, S

U

B

Kaempferol 3-O-glucoside

[50, 52]

Flavonoid

30

6.457

[M-H]−

449.1099/449.1089

2.1

C21H22O11

303, 285, 151

U, B, S

U, B, S

U, B, S

U, B, S

U, B, S

Isoastilbin

[14, 36]

Flavonoid

31

6.634

[M-H]−

447.0947/447.0933

3.2

C21H20O11

301, 283, 255, 239, 179, 151

U, B, S

U

U, B

U, B

U, B

Quercitrin

[53]

Flavonoid

32

6.658

[M-H]−

433.1151/433.1140

2.5

C21H22O10

287, 269, 259, 178, 152

U, B, S

U, B, S

U, B, S

U, B, S

U, B

Engeletin

[14, 45, 52]

Flavonoid

33

7.297

[M-H]−

227.0722/227.0714

− 4.7

C14H12O3

185, 183, 159, 157, 143

U, B

U, B, S

U, B, S

U, B, S

U, B, S

Resveratrol

[14, 52, 54]

Others

34

7.615

[M-H]−

433.1143/433.1140

0.6

C21H22O10

287, 269, 259, 180, 152

B, S

B, S

B, S

B, S

B, S

Neoisoengeletin

[14, 52]

Flavonoid

35

8.466

[M-H]−

433.1147/433.1140

1.6

C21H22O10

287, 269, 259, 180, 152

U, B, S

U, B, S

U, B, S

U, B, S

U, B, S

Isoengeletin

[14, 52]

Flavonoid

36

9.389

[M-H]−

451.1023/451.1034

− 2.6

C24H20O9

341

B

U, B, S

U, B, S

U, B, S

U, B, S

Cinchonain Ib

[41, 52]

Tannin

37

9.59

[M + CH3COOH-H]−

723.5067/723.5053

2

C41H72O10

677, 451, 225

U, B, S

    

Unknown

 

Others

38

12.393

[M-H]−

271.0620/271.0612

3

C15H12O5

177, 151, 119, 107

U, B

U, B, S

U, B, S

U, B, S

U, B, S

Naringenin

[14]

Flavonoid

39

12.521

[M-H] +

453.3441/453.3422

4.2

C23H50O8

569, 343, 326, 227, 209, 111, 100

U, B, S

    

Unknown

 

Others

40

13.11

[M-H]−

735.2151735.2142

1.2

C34H40O18

559, 499, 193, 175, 160

U

U, B, S

U, B, S

U, B, S

U, B, S

Smilaside B

[36]

Phenylpropanoid glycosides

41

13.413

[M-H]−

777.2269/777.2247

2.8

C36H42O19

735, 717, 601, 559, 499, 193, 175, 160

U, B

U, B, S

U, B, S

U, B, S

U, B, S

Smilaside A

[36, 55]

Phenylpropanoid glycosides

42

13.834

[M-H]−

777.2282/777.2247

4.4

C36H42O19

735, 717, 601, 559, 193, 175, 160

U, B

U, B, S

U, B, S

U, B, S

U, B, S

Smilaside M

[36, 56]

Phenylpropanoid glycosides

43

14.922

[M-H]−

819.2362/819.2353

1.0

C38H44O20

777, 759, 583, 559, 193, 175, 160

U, B

U, B, S

U, B, S

U, B, S

U, B, S

Sparganiaside A or Phenylpropanoid glycosides

[14, 15, 36]

Phenylpropanoid glycosides

44

14.939

[M-H]−

839.2393/839.2404

− 1.3

C41H44O19

693, 663, 645, 483, 319, 217, 175, 145

U, B

U, B, S

U, S

U, B, S

U, B, S

Smilaside C or smilaside J

[36]

Phenylpropanoid glycosides

45

14.956

[M-H]−

819.2383/819.2353

3.6

C38H44O20

777, 717, 601, 583, 513, 175

U, B

U, B, S

U, B, S

U, B, S

U, B, S

Smiglaside C

[36]

Phenylpropanoid glycosides

46

15.046

[M-H]−

401.0897/401.0878

4.7

C20H18O9

313, 121

B, S

U, B, S

U, B, S

U, B, S

U, B, S

Frangulin B

[57]

Others

47

15.483

[M-H]−

819.2364/819.2353

1.3

C38H44O20

777, 643, 601, 583, 513, 175

U, B

B, S

U, B, S

U, B, S

U, B, S

Sparganiaside A or phenylpropanoid glycosides

[14, 15, 36]

Phenylpropanoid glycosides

48

15.58

[M-H]−

881.2553/881.2510

4.9

C43H46O20

735, 705, 687, 559, 483, 175

U

U, B, S

U, B, S

U, B, S

U, B, S

Smilaside D or smilaside E orsmilaside K

[36]

Phenylpropanoid glycosides

49

16.115

[M-H]−

923.2647/923.2615

3.4

C45H48O21

881, 863, 777, 747, 483

U, B

U, B, S

U, B, S

U, B, S

U, B, S

Smiglaside E

[15, 36]

Phenylpropanoid glycosides

50

16.463

[M-H]−

953.2762/953.2721

4.3

C46H50O22

911, 777, 759, 601

U, B

U, B, S

U, B, S

U, B, S

U, B, S

Smiglaside B

[14, 15, 36]

Phenylpropanoid glycosides

51

16.85

[M-H]−

965.2769/965.2721

5

C47H50O22

923, 905, 789, 747, 483

U, B

U, B, S

U, B, S

U, B, S

U, B, S

Smiglaside D

[14, 15, 36]

Phenylpropanoid glycosides

52

17.592

[M-H]−

965.2726/965.2721

0.5

C47H50O22

923, 905, 789, 777, 747, 559, 483, 175

U, B

U, S

U, B, S

U, B, S

U, B, S

Phenylpropanoid glycosides

[36]

Phenylpropanoid glycosides

53

18.32

[M-H]−

339.2344/339.2330

4.2

C23H32O2

163

U, B, S

U, B, S

U, B, S

U, B, S

U, B, S

2,2'-Bis(4-methyl-6-tert-butylphenol)methane

[58]

Others

  1. U, un-pretreated; B, boiled; S, steamed; 0 min, the samples prior to being dried; Su.D, sun-drying; Sh.D, shade-drying; Ov.D 65 ℃, oven-drying at 65 ℃; Ov.D 105 ℃, oven-drying at 105 ℃