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Table 2 Identification of commom chemical compounds in the decoction of RSC and WSC decoction pieces

From: Screening of Q-markers for the wine-steamed Schisandra chinensis decoction pieces in improving allergic asthma

No.

RT (min)

Adduction

M/Z

ppm

Formula

Fragments

Identification

Type

1

16.9

[M + H]+

417.2237

− 8.1

C24H32O6

417.2234 [M + H]+, 402.2005 [M + H-CH3]+, 371.1836 [M + H-CH3-OCH3]+, 347.1465 [M + H-C5H10]+, 316.1280 [M + H-C5H10-OCH3]+, 301.1048 [M + H-CH3-OCH3-5CH2]+

Schisandrin A*

Lignan

2

17.4

[M + H]+

401.8561

− 5.7

C23H28O6

401.1957 [M + H]+, 370.1746 [M + H-OCH3]+, 331.1149 [M + H-C5H10]+, 316.0927 [M + H-CH3-C5H10]+, 300.0969 [M + H-CH3-O-C5H10]+

Schisandrin B*

Lignan

3

15.5

[M + H]+

417.1892

− 3.8

C23H28O7

417.1815 [M + H]+, 399.1699 [M + H-H2O]+, 358.1321 [M + H-H2O-CH3-C2H4]+, 314.1084 [M + H-H2O-CH3-C2H4-CH3CO]+

Schisandrol B*

Lignan

4

15.5

[M + H]+

537.2101

− 3.4

C30H32O9

538.1772 [M + H]+, 415.1742 [M + H-C6H5COOH]+, 371.1482 [M + H-C6H5COOH-CH3CHO]+, 340.1298 [M + H-C6H5COOH-CH3CHO-OCH3]+

Schisantherin A*

Lignan

5

17.6

[M + H]+

385.1646

0.1

C22H24O6

385.1650 [M + H]+, 355.1546 [M + H-OCH3]+, 285.0754 [M + H-OCH3-C5H10]+

Schisandrin C*

Lignan

6

15.3

[M + H]+

403.2098

− 4.3

C23H30O6

403.2080 [M + H]+, 388.1849 [M + H-CH3]+, 371.1827 [M + H-CH3-OH]+, 340.1645 [M + H-CH3-OH-OCH3]+, 325.1410 [M + H-2CH3-OH-OCH3]+

Schisanhenol*

Lignan

7

16.1

[M + H]+

515.2263

− 2.4

C28H34O9

515.2228 [M + H]+, 469.2183 [M + H–CO-H2O]+, 385.1615 [M + H–CO-H2O-C5H8O]+, 354.1441 [M + H–CO-H2O-C5H8O-OCH3]+

Schisantherin B

Lignan

8

14.8

[M + H]+

431.2033

− 5.6

C24H30O7

431.2033 [M + H]+, 400.1865 [M + H-OCH3]+, 372.1549 [M + H-OCH3-C2H4]+, 356.1598 [M + H-OCH3-C2H4-O]+

Schinsanlignone A

Lignan

9

16.17

[M + H]+

387.1790

− 3.2

C22H26O6

387.1786 [M + H]+, 372.1557 [M + H-CH3]+, 357.1676 [M + H-CH3-OH]+

Gomisin M2

Lignan

10

13.1

[M + H]+

389.1940

− 4.8

C22H28O6

389.1935 [M + H]+, 357.1678 [M + H-OCH3]+, 326.1500 [M + H-2OCH3]+

Gomisin J

Lignan

11

13.9

[M + H]+

391.2113

− 0.8

C22H30O6

391.2113 [M + H]+, 327.1602 [M + H-2OCH3]+, 257.0815 [M + H-2OCH3-C7H6O2]+

Pregomisin

Lignan

12

12.9

[M + H]+

401.1591

− 0.9

C22H24O7

401.1602 [M + H]+, 352.1309 [M + H-OCH3]+, 337.1058 [M + H-OCH3-CH3]+

Gomisin R

Lignan

13

12.9

[M + H]+

531.2206

− 3.5

C28H34O10

531.2152 [M + H]+, 485.2161 [M + H-CH2O2]+,

401.1588 [M + H-C5H8O]+, 383.1488 [M + H-C5H8O-H2O]+

Gomisin D

Lignan

14

15.5

[M + H]+

415.1742

− 4.4

C23H26O7

415.1742 [M + H]+, 385.1644 [M + H-CH2O]+, 371.1481 [M + H-CH2O-CH3]+

Neoisostegane

Lignan

15

14.5

[M + H]+

523.6521

− 4.0

C30H34O8

523.2287 [M + H]+, 493.1810 [M + H-2CH3]+, 409.1613 [M + H-2CH3-C6H5-2H2O]+

Benzoyl-gomisin-H

Lignan

16

17.0

[M + H]+

219.1733

− 4.7

C15H22O

219.1743 [M + H]+, 201.1632 [M + H-H2O]+, 175.1465 [M + H-H2O-2CH3]+

Chamigrenal

Organic acid

17

17.6

[M + H]+

521.2156

− 2.7

C30H32O8

521.2134 [M + H]+, 421.1615 [M + H-C5H8O2]+

Benzoylgomisin O

Lignan

18

12.4

[M + H]+

433.1891

− 2.9

C24H32O7

433.1891 [M + H]+, 384.1905 [M + H-CH4O2]+, 369.1672 [M + H-CH4O2-CH3]+, 338.1488 [M + H-CH4O2-CH3-CH3O]+

Schisandrin*

Lignan

19

11.2

[M + H]+

419.2052

− 2.9

C23H30O7

419.2062 [M + H]+, 369.1693 [M + H-CH3-2OH]+, 323.1276 [M + H-2CH3-2OH-CO]+

Gomisn S/T

Lignan

20

17.6

[M + H]+

537.2463

1.8

C31H36O8

537.2463 [M + H]+, 437.1931 [M + H-C5H8O2]+, 384.1933 [M + H-C5H8O2-H2O-OCH3]+

Benzoylgomisin Q

Lignan

21

2.4

[M + H]+

221.0655

2.3

C8H12O7

221.0655 [M + H]+, 157.0484 [M + H-OH-COOCH3]+, 139.0023 [M + H-OH-COOCH3-H2O]+

Dimethyl citrate

Organic acid

22

18.9

[M + H]+

471.3459

− 2.1

C30H46O4

471.3467 [M + H]+, 453.3241 [M + H-H2O]+, 435.3241 [M + H-2H2O]+

Nigranoic acid

Organic acid

23

12.0

[M + H]+

531.2594

1.0

C29H38O9

531.2596 [M + H]+, 471.2378 [M + H-2CH2O]+, 443.2426 [M + H–CO-2CH2O]+, 425.2342 [M + H–CO-2CH2O-H2O]+

Angeloylgomisin Q

Lignan

24

11.1

[M + H]+

499.2328

0.6

C28H34O8

499.2328 [M + H]+, 481.2217 [M + H-H2O]+,

463.2100 [M + H-2H2O]+, 421.2009 [M + H-2H2O-C2H2O]+

Angeloylisogomisin O

Lignan

25

15.2

[M + H]+

235.1722

3.2

C15H22O2

235.1722 [M + H]+, 217.1615 [M + H-H2O]+, 199.1513 [M + H-2H2O]+

β-chamigrenic acid

Organic acid

26

21.0

[M + H]+

455.3521

6.17

C30H46O3

455.3521 [M + H]+, 437.3411[M + H-H2O]+, 419.3304 [M + H-2H2O]+, 401.3363 [M + H-3H2O]+

Schisandronic acid

Organic acid

27

21.3

[M + H]+

391.3340

− 1.0

C24H38O4

391.3340 [M + H]+, 279.1769 [M + H-7CH2-CH3 + H]+

Merulinic acid A

Organic acid

28

1.2

[M-H]+

191.0187

− 3.2

C6H8O7

191.0187 [M-H]+, 173.0107 [M-H-H2O]+, 155.0016 [M-H-2H2O]+

Citric acid

Organic acid

29

20.1

[M-H]+

456.3606

4.7

C30H48O3

456.3606 [M-H]+, 409.3486 [M-H-COOH]+

Betulinic acidBetulinic acid

Organic acid

30

0.9

[M-H]+

133.0172

1.4

C4H6O5

133.0172 [M-H]+, 115.0065 [M-H-H2O]+, 114.6473 [M-H-H2O-H]+

Malic acid

Organic acid

31

1.1

[M-H]+

173.0093

0.8

C7H10O5

173.0093 [M-H]+, 129.0220 [M-H-2H2O-COOH]+ 111.0105 [M-H-3H2O-COOH]+

Shikimic acid

Organic acid

32

4.3

[M-H]+

291.0876

4.4

C15H14O6

291.0860 [M-H]+, 207.0649 [M-H-5OH]+, 189.0554 [M-H-5OH-H2O]+, 161.0601 [M-H-6OH-H2O]+

Catechin

Organic acid

  1. *Ingredients to be compared with the standards