Table 2 Metabolites identified in the methanolic extract of T. tipu flowers using LC–QTOF-MS/MS

Sugars and amino acids

1

0.92

114.0559

C₅H₉NO₂–

4.87

84, 76, 58

Proline

2

0.96

116.0718

C₅H₁₁NO₂^–

-0.31

97, 75, 64, 51

Valine

3

0.97

179.0566

C₆H₁₁O₆^–

-3.4

151, 131, 120, 75, 71

Hexose (Glucose)

4

1.08

195.0511

C₆H₁₁O₇^–

0.47

129, 87, 75, 56

Gluconic acid

5

1.16

128.0354

C₅H₆NO₃^–

-0.8

111, 93, 82, 74, 67

Pyroglutamic acid

6

1.18

164.0719

C₉H₁₀NO₂^–

-0.97

147, 118, 103, 97, 72

Phenylalanine

7

1.23

130.0872

C₆H₁₂NO₂^–

1.81

112, 88, 66

Isoleucine

8

1.45

326.1248

C₁₅H₂₀NO₇^–

-0.86

164, 147

Phenylalanine glucoside

Organic and phenolic acids

9

1.53

115.0034

C₄H₃O₄^–

0.69

89, 71, 52

Fumaric acid

10

1.79

117.0191

C₄H₅O₄^–

2.46

99, 73

Succinic acid

11

1.83

133.0143

C₄H₅O₅^–

-0.66

115, 71

Malic acid

12

1.99

173.0815

C₈H₁₃O₄^–

2.59

129, 111, 83, 57

Diethyl succinic acid

13

2.01

191.0197

C₆H₇O₇^–

0.18

111, 87, 85

Citric acid

14

2.59

191.0568

C₇H₁₁O₆^–

2.24

137, 85

Quinic acid

15

2.87

121.0299

C₇H₅O₂^–

-3.53

121, 92

Benzoic acid

16

3.23

137.0249

C₇H₅O₃^–

3.38

93, 65

Hydroxy benzoic acid

17

3.36

151.0388

C₈H₇O₃^–

8.58

139, 137, 129, 119, 109, 107, 102

Methoxy benzoic acid

18

3.89

153.0190

C₇H₅O₄^–

2.33

109, 108

Protocatechuic acid

21

3.96

167.0349

C₈H₇O₄^–

0.93

152, 108

Vanillic acid

22

4.28

315.0721

C₁₃H₁₅O₉^–

2.19

236, 153, 108

Protocatechuic acid glucoside

19

4.31

329.0876

C₁₄H₁₇O₉^–

2.45

167, 152, 123, 108

Vanillic acid glucoside

20

4.57

341.0879

C₁₅H₁₇O₉^–

2.74

179, 146, 135, 116

Caffeic acid glucoside

23

5.03

295.0456

C₁₃H₁₁O₈^–

1.62

163, 119

Coumaric acid pentoside

24

5.71

325.0914

C₇H₁₃O₇^–

-0.22

163, 119

Coumaric acid glucoside

25

6.17

343.1021

C₁₅H₁₉O₉^–

0.59

181, 163, 135, 119

Dihydrocaffeic acid glucoside

26

6.28

147.0655

C₉H₇O₂^–

0.91

103, 89, 77, 61

Cinnamic acid

27

6.92

193.0494

C₁₀H₉O₄^–

-0.84

178, 165, 149, 134, 117

Ferulic acid

28

7.87

353.0873

C₁₆H₁₇O₉^–

1.64

191, 179, 135

Chlorogenic acid

Coumarins

29

6.89

339.0724

C₁₅H₁₅O₉^–

-0.34

177

Esculin

30

9.10

177.0128

C₉H₅O₄^–

2.84

163, 133, 105, 89, 65

Esculetin

Flavonoids

31

10.02

739.2060

C₄₀H₃₅O₁₄^–

-2.99

431, 285, 284

Kaempferol 3-O-rhamnosyl rutinoside

32

10.05

623.1594

C₂₈H₃₁O₁₆^–

5.47

315, 300, 271, 243, 151

Isorhamnetin 3-O-robinobioside (Narcissin)

33

11.13

609.1435

C₂₇H₂₉O₁₆^–

3.81

463, 300

Quercetin 3-rutinoside (Rutin)

34

11.14

593.1445

C₂₈H₃₁O₁₆^–

0.45

431, 285

Kaempferol 3-O-rutinoside

35

11.90

577.1569

C₂₇H₂₉O₁₄^–

-0.47

431, 285, 284, 255

Kaempferol 3,7-di-O- rhamnoside (Kaempferitrin)

36

12.37

447.0907

C₂₁H₁₉O₁₁^–

4.71

357, 339, 327, 297, 285

Luteolin-8-C-glucoside (Orientin)

37

13.42

477.1026

C₂₂H₂₁O₁₂^–

6.51

315, 314, 300, 151

Isorhamnetin 3-O-glucoside

38

13.56

463.0837

C₂₁H₁₉O₁₂^–

-0.26

300, 271, 255, 179, 151

Quercetin 3-O-glucoside (Isoquercetin)

39

13.61

447.0903

C₂₁H₁₉O₁₁^–

5.97

285, 284, 151

Kaempferol 3-O-glucoside (Astragalin)

40

13.79

431.0964

C₂₁H₁₉O₁₀^–

3.95

341, 311, 283, 269

Apigenin-8-C-glucoside (Vitexin)

41

14.95

301.0353

C₁₅H₉O₇^–

1.19

179, 151

Quercetin

42

15.08

269.0483

C₁₅H₉O₅^–

-8.3

238, 211, 167, 112

Apigenin

Fatty acids and lipids

43

17.82

277.2168

C₁₈H₂₉O₂^–

-0.5

233, 127, 59

Linolenic acid

44

17.99

279.2329

C₁₈H₃₁O₂^–

-0.93

165, 96, 59

Linoleic acid

45

18.08

325.1831

C₁₈H₂₉O₅^–

2.12

237, 121

Trihydroxy octadecatrienoic acid

46

19.22

297.2424

C₁₈H₃₃O₃^–

3.57

279, 261, 239, 183

Hydroxy oleic acid

47

19.31

311.2212

C₁₈H₃₁O₄^–

3.64

223, 183, 87, 57

Octadecendioic acid

48

19.46

327.2909

C₂₀H₃₉O₃^–

-0.70

183

Hydroxy eicosanoic acid

49

19.65

383.3537

C₂₄H₄₇O₃^–

-0.53

337

Hydroxy tetracosanoic acid

50

20.13

593.2729

C₂₇H₄₆O₁₂P^–

-2.50

277, 241, 152, 78

PI(18:3)

51

20.21

255.2321

C₁₆H₃₁O₂^–

3.51

211, 196

Palmitic acid

52

21.09

507.2719

C₂₄H₄₅O₉P

-2.1

279, 227, 152

PG(18:2)

53

21.13

595.2889

C₂₇H₄₈O₁₂P^–

0.31

279, 241, 152, 78

PI(18:2)

54

21.19

433.2352

C₂₁H₃₈O₇P^–

-1.9

297, 275, 198, 152

PA(18:2)

55

21.28

853.4798

C₄₅H₇₄O₁₃P^–

-8.7

277, 241, 152

PI(18:3/18:3)

56

21.67

695.4635

C₃₉H₆₈O₈P^–

-2.41

279, 152

PA(18:2/18:2)

57

22.19

825.4540

C₄₃H₇₀O₁₃P^–

-2.3

277, 259, 249, 241, 152, 78

PI(16:3/18:2)

58

22.40

671.4639

C₃₇H₆₈O₈ P^–

-2.70

279, 255, 152, 78

PA(18:2/16:0)

59

22.79

695.4641

C₃₉H₆₈O₈P^–

-2.30

281, 277, 182, 152

PA(18:3/18:1)

60

23.38

741.4694

C₄₀H₇₀O₁₀P^–

-3.10

277, 227, 152, 78

PG(16:1/18:3)

61

23.55

833.5167

C₄₃H₇₈O₁₃P^–

0.52

279, 255, 241, 152, 78

PI(18:2/16:0)

62

24.26

743.4847

C₄₀H₇₂O₁₀P^–

-3.9

279, 255, 152, 78

PG(18:2/16:1)