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Table 3 The Terpenoids identified in the MGF, MGF SA and MIX

From: Decoction regulating phytochemicals’ micromorphology changes and anti-inflammation activity enhancements originated from herb medicine supermolecules

NO

tR (min)

Compound

Formula

Precursor ion

Fragment ion (m/z)

Source

MGF(Q)/MGF SA(T)/MIX(X)

Identity

Theoretical (m/z)

Experimental (m/z)

Mass accuracy (Δppm)

T1

11.27

24-Hydroxyl-licorice-saponin A3

C48H72O22

[M−H]

999.4431

999.4385

− 4.61

823.4128, 688.1735

Q/T/X

T2

11.66

Uralsaponin T

C48H74O19

[M−H]

953.4740

953.4710

− 3.19

891.4487, 583.2414

Q/T/X

T3

11.82

Dihydroxy glycyrrhetinic acid

C42H62O18

[M−H]

853.3852

853.3829

− 2.70

504.6233, 351.0551

Q/T/X

T4

11.86

Uralsaponin F

C44H64O19

[M−H]

895.3958

895.3926

− 3.53

797.3072

Q/T/X

T5

11.97

Licoricesaponin A3

C48H72O21

[M−H]

983.4482

983.4441

− 4.21

821.3976, 469.2295

Q/T/X

T6

12.11

Uralsaponin X

C50H74O22

[M−H]

1025.4588

1025.4555

− 3.15

983.4509, 821.3965

Q/T/X

T7

12.63

22β-acetoxyl-Licorice saponin

C44H64O18

[M−H]

879.4008

879.3981

− 3.14

351.8064

Q/T/X

T8/T9

12.72

Licoricesaponin G2/uralsaponin N

C42H62O17

[M−H]

837.3903

837.3867

− 4.37

661.3542, 485.8624, 351.0573

Q/T/X

T10

13.42

3-oxo glycyrrhetinic acid

C30H46O5

[M+H]+

487.3418

487.3397

− 4.20

469.3297, 451.3188

Q/T/X

T11

13.59

Licoricesaponin E2

C42H60O16

[M−H]

819.3797

819.3765

− 3.94

351.0580, 175.5127

Q/T/X

T12

14.29

18β-Glycyrrhetinic Acid

C30H46O4

[M+H]+

471.3468

471.3446

− 4.76

453.3345, 435.3240, 263.1626, 191.1418

Q/T/X

T13

14.31

Glycyrrhizic acid

C42H62O16

[M+H]+

823.4110

823.4094

− 1.99

647.3788, 471.3453, 453.3347

Q/T/X

T14

14.61

Licoricesaponin B2

C42H64O15

[M−H]

807.4161

807.4136

− 3.10

351.0919, 175.9585

Q/T/X

T15

14.95

Licoricesaponin R3

C48H74O20

[M−H]

969.4689

969.4653

− 3.69

951.3300, 645.0012

Q/T/X

T16/T17

15.08

Licoricesaponin H2/K2

C42H62O16

[M−H]

821.3954

821.3920

− 4.11

645.3597, 351.0573

Q/T/X

T18

15.62

Uralsaponin C

C42H64O16

[M−H]

823.4110

823.4085

− 3.09

351.0566

Q/T/X

T19

16.09

Uralsaponin W

C42H62O15

[M−H]

805.4004

805.3973

− 3.92

351.0577

Q/T/X

T20

17.63

Glycyrrhetic Acid 3-O-Glucuronide

C36H54O10

[M−H]

645.3633

645.3623

− 1.47

469.7497, 175.9586

Q/T/X