Table 6 Annotation with offline DB matching for the DDA data.

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

29

Kuraramine

1.34

[M + H] + 

223.144

0.45

C12H18N2O2

3

30

lupinine

1.96

[M + H] + 

170.1539

0.24

C10H19NO

2

31

cytisine

3.34

[M + H] + 

191.1179

0.05

C11H14N2O

2

32

Adenosine

4.37

[M + H] + 

268.1043

1.01

C10H13N5O4

2

33

Lupanine

6.64

[M + H] + 

249.1956

2.17

C15H24N2O

3

34

Oxysophocarpine

9.18

[M + H] + 

263.1757

1.14

C15H22N2O2

1

35

baptifoline

9.60

[M + H] + 

261.1599

0.57

C15H20N2O2

2

36

N-methylcytisine

9.85

[M + H] + 

205.1334

0.68

C12H16N2O

2

37

isosophocarpine

10.00

[M + H] + 

247.1801

1.58

C15H22N2O

3

38

Isosakuranin

10.19

[M + H] + 

449.1432

2.27

C22H24O10

3

39

Apiin

10.66

[M + H] + 

565.1558

1.1

C26H28O14

2

40

Sophoricoside

10.91

[M + H] + 

433.1137

1.85

C21H20O10

2

41

meso-Zeaxanthin

10.94

[M + H] + 

569.4363

1.74

C40H56O2

3

42

Ononin

11.54

[M + H] + 

431.1343

1.48

C22H22O9

2

43

Sparteine

11.65

[M + H] + 

235.2170

0.51

C15H26N2

2

44

Quebrachamine

13.36

[M + H] + 

283.2170

0.42

C19H26N2

2

45

8-Prenylkaempferol

13.87

[M + H] + 

355.1181

1.35

C20H18O6

2

46

Isoxanthohumol

15.17

[M + H] + 

355.1541

0.28

C21H22O5

1