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Table 2 Evaluation of Compounds obtained from CD and its processed products by UPLC-Q-TOF-MSE

From: Chemical profiles and metabolite study of raw and processed Cistanche deserticola in rats by UPLC-Q-TOF-MSE

NO

RT

Identification

Molecular formula

Adducts

Experimental

Theoretical

Error

(ppm)

MS/MS fragmentation

source

1

1.10

Kankanoside B

C15H24O10

 + HCOO

409.1348

364.1369

0.2

363.12870, 183.06693, 153.05619

CD, CD-HP

2

1.22

6-Deoxycatalpol

C15H22O9

 + HCOO

391.1245

346.1260

0.5

391.12447, 341.10886,

CD, CD-NP, CD-HP

3

1.44

6-Deoxycatalpol

C15H22O9

 + HCOO

391.1245

346.1260

0.5

391.12448, 183.06662

CD, CD-HP

4

2.04

Androsin

C15H20O8

 + HCOO

373.1143

328.1163

0.8

373.11434, 211.06188, 193.05142

CD, CD-NP, CD-HP

5

2.25

6-Deoxycatalpol

C15H22O9

 + HCOO

391.1245

346.1260

0.5

391.12446, 229.07232, 167.03571

CD, CD-NP, CD-HP

6

2.58

Androsin

C15H20O8

 + HCOO

373.1147

328.1166

1.2

373.11471, 299.11294, 211.06206, 149.06137

CD, CD-NP, CD-HP

7

2.64

Kankanoside L

C15H24O9

 + HCOO

393.1404

348.1421

0.7

393.14046, 315.10749, 206.06863, 134.04736

CD, CD-NP, CD-HP

8

2.93

kankanoside M

C15H22O8

 + HCOO

375.1297

330.1318

0.6

375.12966, 213.07775, 125.06127

CD, CD-NP, CD-HP

9

3.14

3,4-dimethoxybenzyl-β-d-glucoside

C16H24O10

–H

375.1299

376.1373

0.8

375.12994, 255.08683, 213.07767, 151.07707

CD, CD-NP, CD-HP

10

3.22

Decaffeoylacteoside

C20H30O12

–H

461.1659

462.1734

0

461.16591, 315.10891, 135.04591

CD, CD-NP, CD-HP

11

3.24

Kankanoside F

C26H40O17

–H

623.2192

624.2273

0.5

623.21920, 461.16678, 315.10994, 135.04591

CD, CD-NP, CD-HP

12

3.25

Gluroside

C15H24O8

 + HCOO

377.1449

332.1463

0.1

377.14491, 461.16609, 315.10891, 135.04591

CD, CD-NP, CD-HP

13

3.31

Cistantubulose A1

C27H38O18

–H

649.1987

650.2068

0.7

649.19871, 537.18251, 335.09146, 179.03598,

CD, CD-NP, CD-HP

14

3.35

6-deoxycatalpol

C15H22O9

–H

345.1193

346.1271

0.7

345.11929, 299.11424, 179.03598

CD, CD-NP, CD-HP

15

3.40

Adoxosidic acid

C16H24O10

–H

375.1302

376.1373

− 1.1

213.07683

CD, CD-NP, CD-HP

16

3.54

Cistanoside F

C21H28O13

–H

487.1451

488.1532

− 0.1

487.14512, 325.09503, 251.05822, 179.03637

CD, CD-NP, CD-HP

17

3.65

Sinapic aldehyde 4-O-β-d-glucopyranoside

C16H20O9

 + HCOO

401.1087

356.1109

0.3

401.10872, 301.09,397, 283.08371, 193.05148

CD, CD-NP, CD-HP

18

3.77

Kankanose

C27H38O18

–H

649.1985

650.2063

0.5

649.19853, 461.16139, 293.12495, 179.03612

CD, CD-NP, CD-HP

19

3.79

3-Methyl-but-2-en-1-yl-β-d-glucopyranoside

C11H20O6

 + HCOO

293.1249

248.1264

1.3

293.12494, 195.06673, 179.03612

CD, CD-NP, CD-HP

20

3.81

Demethylsyringing

C16H22O9

–H

357.1193

358.1266

0.7

357.11931, 251.05778, 195.06,678, 179.03653

CD, CD-NP, CD-HP

21

3.82

Cistanoside G

C20H30O11

–H

445.1709

446.1756

− 0.1

445.17092, 375.13013, 293.12548, 195.06823, 179.03678

CD, CD-NP, CD-HP

22

3.84

Cistanoside F

C21H28O13

–H

487.1458

488.1523

− 0.6

487.14577, 445.17102,323.08273, 179.03678,

CD, CD-NP, CD-HP

23

3.96

3-Methyl-but-2-en-1-yl-β-D-glucopyranoside

C11H20O6

 + HCOO

293.1251

248.1268

1.5

293.12505, 161.04759

CD, CD-NP, CD-HP

24

3.98

Gluroside

C15H24O8

 + HCOO

377.1455

332.1476

0.7

377.14547, 293.12505, 179.03614

CD, CD-HP

25

4.03

Cistanoside F

C21H28O13

–H

487.1457

488.1538

0.5

487.14668, 2,23.06196, 179.03779

CD, CD-NP, CD-HP

26

4.16

Kankanoside D

C15H26O7

 + HCOO

363.1663

318.1679

0.8

363.16634, 315.10883, 179.03855, 161.04465

CD, CD-NP, CD-HP

27

4.19

Cistanoside E

C21H32O12

–H

475.1869

476.1888

5.3

475.18694, 363.16559, 179.03,855

CD, CD-NP, CD-HP

28

4.25

Cistanoside I

C21H28O12

–H

471.1505

472.1577

0.2

471.15048, 369.11987, 471.15071, 179.03589, 163.04110

CD, CD-NP, CD-HP

29

4.32

Cistanoside F

C21H28O13

–H

487.1466

488.153

1.4

487.14656, 323.07922, 251.05793, 179.03699

CD, CD-NP, CD-HP

30

4.53

Cistanoside F

C21H28O13

–H

487.1464

488.1537

1.2

487.14637, 323.08028, 251.05805, 179.03769

CD, CD-NP, CD-HP

31

4.55

Androsin

C15H20O8

–H

327.1092

328.1158

1.2

327.10918, 251.05805, 179.03769, 131.07201

CD, CD-NP, CD-HP

32

4.86

Cistanoside H

C22H32O13

–H

503.1761

504.1835

− 0.4

503.17610, 461.16590, 375.13036, 315.10972, 135.04603

CD, CD-NP, CD-HP

33

4.88

Kankanoside E

C16H28O8

 + HCOO

393.1760

348.1784

− 0.1

393.17603, 241.11923, 375.13036, 161.03814

CD, CD-HP

34

4.92

Cistantubuloside C 1 /C 2

C35H46O21

–H

801.2487

802.2556

3.4

801.24867, 623.20258, 110.03824

CD, CD-NP, CD-HP

35

5.29

(2E,6Z)-2-β-d-Glucopyranosyloxy-2,6-dimethyl-2,6-octadienoic acid

C16H26O8

 + HCOO

391.1608

346.1628

0.4

391.16080, 345.15509, 163.03730

CD, CD-NP, CD-HP

36

5.47

Kankanoside E

C16H28O8

 + HCOO

393.1766

348.1783

0.5

393.17656, 283.07834, 179.03768

CD, CD-NP, CD-HP

37

5.56

Campneoside II

C29H36O16

–H

639.1926

640.2003

0.1

621.19264, 361.15007, 161.02704

CD, CD-NP, CD-HP

38

5.73

Echinacoside

C35H46O20

–H

785.2549

786.2618

4.5

785.25485, 623.21903, 392.11650, 179.03596

CD, CD-NP, CD-HP

39

5.81

8-hydroxygeraniol-1-β-d-glucopyranoside

C16H28O7

 + HCOO

377.1813

332.1835

0.1

377.18129, 331.14023, 164.07382

CD, CD-NP, CD-HP

40

5.86

Cistanoside E

C21H32O12

–H

475.1813

476.1888

− 0.3

347.17188, 251.05915

CD, CD-NP, CD-HP

41

5.93

Liriodendrin

C34H46O18

 + HCOO

787.2670

742.2689

0.9

787.26703, 579.20978, 475.18047, 417.15414

CD, CD-NP

42

6.00

Isolariciresinol-9′-O-β-d-glucopyranoside

C26H34O11

 + HCOO

567.2076

522.2095

− 0.2

567.20755, 359.14970, 329.13966, 178.06231

CD, CD-NP, CD-HP

43

6.06

Campneoside II

C29H36O16

–H

639.1936

640.2003

1.1

639.19362, 487.14472, 251.05630

CD, CD-NP, CD-HP

44

6.26

Kankanosides K 1 /K 2

C36H48O21

–H

815.2636

816.2701

2.6

815.26358, 783.23518, 637.1979, 381.15558, 179.03631

CD, CD-NP, CD-HP

45

6.34

Cistantubuloside B 1

C35H46O19

–H

769.2573

770.2655

1.8

769.25732, 623.21303, 420.06489, 163.03926

CD, CD-NP, CD-HP

46

6.36

8-hydroxygeraniol-1-β-d-glucopyranoside

C16H28O7

 + HCOO

377.1820

332.1833

0.8

377.18204, 367.15243, 163.04196

CD, CD-NP, CD-HP

47

6.42

Kankanoside N

C16H26O8

–H

345.1563

346.1637

1.4

345.15630, 197.80891, 113.02490

CD, CD-NP, CD-HP

48

6.50

Cistanoside A

C36H48O20

 + HCOO

845.2769

800.2781

5.4

845.27689, 799.27001,681.20502

CD, CD-NP, CD-HP

49

6.47

Kankanoside I

C35H46O18

 + HCOO

799.2703

754.2718

4.2

799.27031, 365.08428, 161.02522

CD, CD-NP, CD-HP

50

6.79

(2E,6E)-2-β-d-glucopyranosyloxy-2,6-dimethyl-2,6-octadienoic acid

C16H26O8

–H

345.1565

346.1632

1.6

345.15649, 165.09327

CD, CD-NP, CD-HP

51

6.96

Kankanoside A

C16H26O8

–H

345.1565

346.1633

1.6

345.15647, 195.06666, 179.03628

CD, CD-NP, CD-HP

52

7.03

Cistanoside C

C30H38O15

 + HCOO

683.2198

638.2208

1.1

683.21978, 489.14915, 417.15349, 335.20636, 197.80796

CD, CD-NP, CD-HP

53

7.09

kankanoside E

C16H28O8

–H

347.1716

348.1781

1.0

347.17157, 195.81307, 167.10929

CD, CD-NP, CD-HP

54

7.19

Acteoside

C29H34O15

–H

623.1992

622.1892

1.6

623.19917, 461.16657, 315.10988, 161.02530

CD, CD-NP, CD-HP

55

7.25

Tubuloside A

C37H48O21

–H

827.2655

828.2721

4.5

827.26548, 621.18343, 469.13652, 379.19635

CD, CD-NP, CD-HP

56

7.51

Cistanoside B

C37H50O20

 + HCOO

859.2913

814.2931

4.1

859.2913, 679.18910, 565.19246

CD, CD-NP, CD-HP

57

7.58

Cistanoside J

C33H42O16

 + HCOO

739.2409

694.2482

4.0

739.24093, 345.15468, 161.02597

CD, CD-NP, CD-HP

58

7.60

Tubuloside A

C37H48O21

–H

827.2649

828.2727

3.9

827.26486, 739.24745, 579.22756, 345.15468, 161.02597

CD-NP, CD-HP

59

7.7

Kankanoside E

C16H28O8

–H

347.1719

348.1791

1.3

347.17191, 303.18323, 211.13616, 185.11917,

CD, CD-NP, CD-HP

60

7.86

Acteoside

C29H36O15

–H

623.1995

624.2067

1.9

623.19954, 461.16624, 161.02546

CD, CD-NP, CD-HP

61

7.94

Crenatoside

C29H34O15

–H

621.1833

622.1907

1.4

621.18331, 387.14418, 179.03640

CD, CD-NP, CD-HP

62

8.06

Kankanosides K1/K2

C36H48O21

–H

815.2631

816.2688

2.1

499.1811, 197.8080, 160.8423

CD-HP

63

8.33

Kankanoside H1

C37H48O20

–H

812.2731

812.2739

− 0.8

607.20431, 445.17033, 161.02556

CD, CD-HP

64

8.36

Isosyringalide-3´-α-L-rhamnopyranoside

C29H36O14

–H

607.2034

608.2119

0.7

607.20341, 461.16447, 315.10906, 145.03063

CD, CD-NP, CD-HP

65

8.53

Campneoside I

C30H38O16

–H

653.2084

654.216

1.6

607.20440, 461.16367, 443.15204, 145.03081

CD, CD-NP, CD-HP

66

8.78

Cis-isocistanoside C

C30H38O15

–H

637.2147

638.2222

1.5

637.21474, 475.18074, 329.12012, 161.02576

CD, CD-NP, CD-HP

67

8.84

Citrusin A

C27H36O11

 + HCOO

581.2235

536.2280

0.1

581.22351, 433.15241,371.13360,343.1457

CD, CD-NP, CD-HP

68

9.17

Isosyringalise-3´-ɑ-L-rhamnopyranoside

C29H36O14

–H

607.2033

608.2122

0.6

607.20334, 461.15822, 161.02611

CD, CD-NP, CD-HP

69

9.50

Isocampneoside I

C30H38O16

–H

653.2094

654.2161

1.2

607.2094, 461.16616, 307.08417, 145.03058

CD, CD-NP, CD-HP

70

9.50

Syringalide A-3´-α-L-rhamnopyranoside

C29H36O14

–H

607.2037

608.2127

1.0

607.20372, 461.16616, 307.08417, 145.03089

CD, CD-NP, CD-HP

71

9.57

isocistanoside C

C30H38O15

–H

637.2150

638.2221

1.8

637.21503, 445.15153, 323.07862, 251.05653

CD, CD-NP, CD-HP

72

9.62

Cis-Tubuloside B

C31H38O16

–H

665.2103

666.2169

2.1

665.21032, 503.17680, 305.06585, 161.02529

CD, CD-NP, CD-HP

73

9.76

Crenatoside

C29H34O15

–H

621.1826

622.1891

0.7

621.18264, 487.14611, 323.07878, 179.03579

CD, CD-NP, CD-HP

74

9.92

cistanoside C

C30H38O15

–H

637.2139

638.2209

0.7

637.21389, 591.20868, 445.16991, 163.04078, 145.03032

CD, CD-NP, CD-HP

75

9.92

Osmanthuside B

C29H36O13

–H

591.2080

592.2158

0.2

591.20804, 445.16991, 160.84291, 145.03032

CD, CD-NP, CD-HP

76

10.28

Eutigoside A

C23H26O9

–H

445.1501

446.1571

0.2

445.15008, 163.03943, 145.03004

CD, CD-NP, CD-HP

77

10.35

Cistanoside M

C30H38O14

 + HCOO

667.2245

622.2248

0.7

667.22446, 621.21761, 555.20753, 161.02534

CD, CD-NP, CD-HP

78

10.78

Isomartynoside

C31H40O15

 + HCOO

697.2356

652.2372

1.2

697.23563, 651.22859, 475.17960, 175.04062

CD, CD-NP, CD-HP

79

10.92

Salsaside B

C28H34O13

–H

577.1929

578.1999

0.8

503.17758, 323.07755, 161.02527

CD, CD-NP, CD-HP

80

10.93

2´-acetylacteoside

C31H38O16

–H

665.2108

666.2173

2.6

665.21076, 503.17758, 305.06712, 161.02527

CD, CD-NP, CD-HP

81

11.08

Osmanthuside B

C29H36O13

–H

591.2084

591.2093

0.6

445.1579, 163.0400, 145.0301

CD, CD-NP, CD-HP

82

11.08

Plantainoside C

C30H38O15

–H

637.2141

638.2238

0.9

591.20986, 445.15921, 145.03022

CD, CD-NP, CD-HP

83

11.33

Kankanosides J1/J2

C32H40O17

–H

695.2190

696.2267

0.3

695.21902, 649.21477, 503.17505, 145.03017

CD, CD-NP, CD-HP

84

11.33

SalsasideF

C31H38O15

–H

649.2140

650.2199

0.8

649.21399, 503.17505, 347.16994, 145.03017

CD, CD-NP, CD-HP

85

11.89

Cistansinenside A

C32H40O16

–H

679.2246

680.2324

0.8

679.22464, 623.19749, 161.02503

CD, CD-NP, CD-HP

86

12.02

isomartynoside

C31H40O15

 + HCOO

697.2360

652.2364

1.6

697.23604, 651.22862, 505.16921, 175.04095

CD, CD-NP, CD-HP

87

12.63

Salsaside A

C28H34O13

–H

577.1932

578.1982

1.1

577.19316, 501.16521, 469.13425, 179.03540, 161.02496

CD, CD-NP, CD-HP

88

12.84

Salsaside Ca/Cb

C28H34O12

–H

561.1978

562.2044

0.6

561.19776, 415.16021, 163.04118, 145.03011

CD, CD-NP, CD-HP

89

12.90

SalsasideF

C31H38O15

–H

649.2144

650.2212

1.2

649.21443, 503.17434, 461.16538

CD, CD-NP, CD-HP

90

12.90

Kankanosides J1/J2

C32H40O17

–H

695.2195

696.2274

0.8

695.21948, 649.21421, 607.20459, 503.17401, 149.02394

CD, CD-NP, CD-HP

91

13.10

Osmanthuside B

C29H36O13

–H

591.2085

592.2162

0.7

591.20845, 429.17830, 161.02556

CD, CD-NP, CD-HP

92

13.11

Jionoside D

C30H38O15

–H

637.2131

638.2210

− 0.1

591.20842, 161.02556

CD, CD-NP, CD-HP

93

13.17

Salsaside D

C31H38O15

–H

649.2140

650.2199

0.8

649.21401, 607.19810, 329.16152

CD, CD-NP, CD-HP

94

13.53

cistansinenside A

C32H40O16

–H

679.2251

680.2314

1.3

679.22512, 637.21464, 461.16791, 161.02601

CD, CD-NP, CD-HP

95

14.36

Osmanthuside B6(Z)

C29H36O13

–H

591.2085

592.2152

0.7

591.20854, 489.26955, 445.15395, 161.02652

CD, CD-NP, CD-HP

96

15.30

sinenside A

C32H40O16

–H

679.2255

680.2328

1.7

679.22547, 633.22252, 591.20916, 145.03024

CD, CD-NP

97

16.43

Cistanoside M

C30H38O14

–H

621.2184

622.2258

0.1

591.20868, 489.27111, 161.02535

CD, CD-NP