Table 7 Complementary annotation with the isomer discrimination.

From: Dereplication of secondary metabolites from Sophora flavescens using an LC–MS/MS-based molecular networking strategy

No

Compound_Name

RT (min)

Adduct

Parent (m/z)

Δm/z (ppm)

Predicted formula

Evidence level

47

α-isolupanine

8.56

[M + H] + 

249.1961

0.16

C15H24N2O

2

48

Isomatrine

9.30

[M + H] + 

249.1962

0.24

C15H24N2O

2

49

allomatrine

9.67

[M + H] + 

249.1959

0.96

C15H24N2O

2

50

anagyrine

8.20

[M + H] + 

245.1649

0.24

C15H20N2O

1

51

neosophoramine

11.27

[M + H] + 

245.1648

0.16

C15H20N2O

1

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