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Table 4 UHPLC-MS analysis of methanolic extract of flower of T. falconeri

From: Secondary metabolic profiling, antioxidant potential, enzyme inhibitory activities and in silico and ADME studies: a multifunctional approach to reveal medicinal and industrial potential of Tanacetum falconeri

Sr. No

Analyte Peak Name

Retention Time

Area / Height

Molecular formula

Compound name

Mass

Class of compound

1

381.0730 (M + K+)

1.51

3.93

C19H18O6

1,5,8-Trihydroxy-3-methyl-2-prenylxanthone

342.3

Xanthone

2

317.0928

1.48

4.01

C13H16O9

Ginnalin B

316.0794

Phenolic acid

3

429.2146

1.49

4.97

C23H28N2O6

Carapanaubine

428.1947

Indolizine

4

319.0642

1.50

4.77

C18H10N2O4

Prekinamycin

318.0641

Alkaloids

5

439.1663

1.51

3.80

C21H26O10

sec-o-Glucosylhamaudol

438.1526

Chromene

6

321.0363

1.50

3.45

C18H8O6

Erosnin

320.0321

Coumestan

7

295.0925

1.56

3.65

C18H14O4

7-Acetyloxy-2-methylisoflavone

294.0892

Isoflavone

8

367.1182

1.66

3.96

C21H18O6

Isoglycyrol

366.1103

Phyto

9

353.0613

1.70

3.64

C19H12O7

Daphnoretin

352.0583

Coumarin

10

685.2285

1.73

4.65

C37H36N2O11

Citbismine C

684.2319

Acridine

11

684.2245 (M + NH4+)

1.73

4.39

C30H34O17

Peonidin acetyl 3,5-diglucoside

666.1796

Anthocyanidine glycoside

12

505.1489

1.74

4.67

C21H28O14

6-Caffeoylsucrose

504.1479

Cinnamic acid glycoside

13

244.0595

1.77

3.26

C13H9NO4

Maculine

243.0532

Phyto

14

458.1606

1.81

4.17

C20H27NO11

Amygdalin

457.1584

Cyanogen glycoside

15

367.0863

1.82

5.49

C20H14O7

12a-Methoxydolineone

366.0740

Rotenoid flavonoid

16

306.1160

2.32

6.76

C19H15NO3

N-Acetyldehydroanonaine

305.1052

Isoquinoline alkaloid

17

431.1402

2.45

4.00

C22H22O9

Catechin 3-O-(1,6-dihydroxy-2-cyclohexene-1-carboxylate)

430.1264

Flavonoid

18

419.1085

2.49

2.96

C20H18O10

Kaempferol 3-xyloside

418.0900

Falvonoid

19

312.1150

2.75

8.56

C14H17NO7

Zierin

311.1005

Cyanogen glycoside

20

345.1150

3.03

7.13

C22H16O4

Sanaganone

344.1049

Extended flavonoid

21

378.1217 (M + Na+)

3.14

8.18

C20H21NO5

Promucosine

355.1420

Alkaloid

22

307.1367

3.57

3.03

C20H18O3

Lonchocarpin

306.1256

Chalcone

23

203.0709

3.70

13.48

C12H10O3

5-Hydroxy-2,3-dimethyl-1,4-naphthoquinone

202.0630

Naphthaquinone

24

397.1801

3.66

5.28

C20H28O8

4,5-Dihydroniveusin A

396.1784

Germacranolide

25

305.0988

3.76

9.90

C16H16O6

4'-O-Methylcatechin

304.0947

Catechin

26

329.0808

3.87

5.95

C14H16O9

BERGENIN

328.0794

Trihydroxybenzoic acid derivative

27

270.0759

3.87

5.71

C15H11NO4

Evoxanthidine

269.0688

Acridine

28

319.1141 (M + Na+)

4.06

8.67

C17H18O6

Bryaflavan

318.1103

Isoflavane

29

279.1226

4.06

7.83

C15H18O5

Artecanin

278.1154

Sesquiterpene lactone

30

372.1787 (M + NH4+)

4.36

8.11

C21H22O5

Mundulea flavanone B

354.1467

Flavanone

31

303.0833

4.26

7.97

C16H14O6

Alysifolinone

302.0790

Flavanone

32

293.1148

4.38

6.39

C19H16O3

Purpuritenin A

292.1099

Chalcone

33

325.1269 (M + CH3OH + H+)

4.37

9.25

C15H16O6

Dihydromikanolide

292.0947

Lactone

34

372.1803 (M + NH4+)

4.36

7.46

C21H22O5

Flemistrictin D

354.1467

Chalcone

35

369.1127

4.54

7.78

C17H20O9

3-O-Feruloylquinic acid

368.1107

Quinic acid derivative

36

360.1805 (M + CH3OH + H+)

4.54

5.57

C19H21NO4

Norcorydine

327.1471

Alkaloid

37

323.1477

4.52

6.18

C17H22O6

Tetraneurin A

322.1416

Sesquiterpene lactone

38

360.1891 (M + NH4+)

4.53

4.99

C20H22O5

Brosimacutin C

342.1467

Flavanone

39

239.1290

4.68

6.88

C13H18O4

1-(3-Ethyl-2,4-dihydroxy-6-methoxyphenyl)-1-butanone

238.1205

Aromatic ketone

40

416.1874 (M + NH4+)

4.75

6.14

C19H26O9

Methyl 3,4-dihydroxy-5-prenylbenzoate 3-glucoside

398.1577

Tannin

41

369.1516

4.84

6.55

C18H24O8

4-Hydroxy-3-prenylbenzoic acid glucoside

368.1471

Phenolic glycoside

42

281.1386

4.83

5.90

C15H20O5

8-Deoxy-11,13-dihydroxygrosheimin

280.1311

Sesquiterpene lactone

43

332.1685 (M + NH4+)

4.83

5.55

C18H20NO4

Litcubinine

314.1392

Alkaloids

44

279.1227

4.88

5.27

C15H18O5

Artecanin (Tanacetum parthenium)

278.1154

Sesquiterpene lactone

45

191.0735

4.89

5.74

C11H10O3

7-Hydroxy-2,5-dimethyl-4H-1-benzopyran-4-one

190.0630

Coumarin

46

332.1687

4.83

5.56

C22H21NO2

Melochinone

331.1572

Quinoline

47

444.1823

5.04

9.40

C23H29N3O2S2

Thiothixene

443.1701

Thioxanthene

48

404.2139 (M + CH3OH + H+)

4.91

5.32

C21H25NO5

Capaurine

371.1733

Alkaloid

49

549.2671

5.05

4.12

C29H40O10

Archangelolide

548.2621

Sesquiterpene lactone

50

533.2355

5.03

4.87

C28H36O10

Nomilinic acid

532.2308

Steroidal lactone

51

382.1971

5.05

4.80

C19H27NO7

Petasitenine

381.1788

Spiro epoxide

52

285.1748

5.10

5.18

C18H22NO2

6,7-Dihydro-4-(hydroxymethyl)-2-(p-hydroxyphenethyl)-7-methyl-5H-2-pyrindinium

284.1651

Phenol

53

283.1690

5.10

6.42

C19H22O2

Miltirone

282.1620

Diterpenoid

54

461.2160

5.08

6.37

C25H32O8

Aspidin

460.2097

Phloroglucinol

55

285.1595 (M + NH4+)

5.10

5.38

C17H17NO2

Assoanine

267.1259

Phenanthridine

56

251.1291

5.14

5.79

C14H18O4

Helinorbisabone

250.1205

Terpenoids

57

285.1329

5.14

5.55

C14H20O6

2-Phenylethyl beta-D-glucopyranoside

284.1260

Glycoside

58

193.0680

5.21

3.75

C7H12O6

Quinic acid

192.0634

Cyclitol carboxylic acid

59

452.2076

5.28

7.11

C26H29NO6

Piscerythramine

451.1995

Flavonoids

60

335.1238

5.36

4.55

C21H18O4

Calopogoniumisoflavone A

334.1205

Flavonoids

61

404.2241 (M + NH4+)

5.33

5.30

C19H30O8

Citroside A

386.1941

Glycoside

62

331.1079

5.38

5.34

C18H18O6

7-Hydroxy-5,8,2'-trimethoxyflavanone

330.1103

Flavonoids

63

267.1232

5.37

4.96

C14H18O5

Sapidolide A

266.1154

Lactone

64

317.0991 (M + CH3OH + H+)

5.37

10.44

C16H12O5

6-Methylapigenin

284.0685

Flavonoids

65

346.2001 (M + NH4+)

5.48

7.36

C20H24O4

Sclareapinone

328.1675

Quinone

66

411.1374

5.52

4.10

C23H22O7

Pongapinone A

410.1366

Coumarin

67

367.1725

5.55

4.93

C19H26O7

Orizabin

366.1679

Terpenoids

68

575.1614

5.46

1.36

C35H26O8

Viniferal

574.1628

Benzofuran

69

323.1089

5.67

5.72

C19H16NO4

Berberrubine

322.1079

Alkaloids

70

372.1986 (M + NH4+)

5.68

9.08

C23H27NO2

Murrayazolinine

349.2042

Alkaloids

71

374.1769 (M + NH4+)

5.75

9.07

C13H24O11

Galactopinitol A

356.1319

Glycoside

72

519.2568

5.74

9.43

C24H38O12

Cinnamoside

518.2363

Phenolic amide

73

535.2872

5.75

4.63

C29H42O9

Corchoroside A

534.2829

Cardenolide glycoside

74

418.2217 (M + CH3OH + H+)

5.87

7.80

C22H27NO5

O-Methylandrocymbine

385.1889

Alkaloids

75

335.1238

5.83

5.35

C16H18N2O6

Cappariloside A

334.1165

Indoles

76

561.1657

5.85

7.37

C27H28O13

3'-Deoxymaysin

560.1530

Flavonoids

77

408.2128

5.97

5.41

C25H29NO4

Ancistrocladine

407.2097

Nephthalenes

78

275.1255

5.89

9.18

C16H18O4

Rutacultin

274.1205

Coumarin

79

282.1697 (M + NH4+)

5.89

5.37

C15H20O4

Sequiterpene Lactone 326

264.1362

Terpenoids

80

353.1920

5.91

3.92

C21H24N2O3

Vobasine

352.1787

Alkaloids

81

563.1818

5.99

10.84

C27H30O13

Rhamnellaflavoside A

562.1686

Flavanoid

82

369.1882

5.93

4.82

C21H24N2O4

Baloxine

368.1736

Alkaloid ester

83

469.1053

6.12

2.62

C20H20O13

Castamollissin

468.0904

Phenolic

84

439.2165

6.10

4.62

C26H30O6

Kanzonol G

438.2042

Flavonoids

85

318.0725

6.11

4.48

C19H11NO4

Lettowianthine

317.0688

Alkaloids

86

606.3224

6.16

5.56

C33H43N5O6

Amphibine H

605.3213

Peptide

87

368.1673

6.16

6.28

C18H25NO7

Isatidine

367.1631

Alkaloids

88

342.1887 (M + NH4+)

6.35

6.34

C17H24O6

Chamissonolide

324.1573

Terpenoids

89

293.0782

6.19

4.71

C18H12O4

Karanjin

292.0736

Flavonoids

90

507.3096

6.30

4.33

C29H38N4O4

Mucronine A

506.2893

Peptide

91

293.1751

6.42

4.04

C17H24O4

9-Acetoxyfukinanolide

292.1675

Terpenoids

92

365.1555 (M + CH3OH + H+)

6.45

13.62

C18H20O6

3,3'-Dihydroxy-4',5,7-trimethoxyflavan

332.1260

Flavonoids

93

375.1748 (M + Na+)

6.45

7.96

C21H24N2O3

Ajmalicine

352.1787

Alkaloid

94

551.2326

6.51

3.47

C31H34O9

Lappaol B

550.2203

Phenylpropanoids

95

369.2056

6.60

10.05

C23H28O4

Quercetol B

368.1988

Phenylpropanoids

96

365.1331 (M + K+)

6.64

9.65

C19H22N2O3

Alkaloid AQC2

326.1630

Alkaloids

97

369.1878

6.59

8.25

C21H24N2O4

Uncarine A

368.1736

Alkaloids

98

315.1191

6.67

5.06

C18H18O5

Matteucinol

314.1154

Flavonoids

99

597.2793 (M + Na+)

6.69

5.96

C31H42O10

Asclepin

574.2778

Cardenolide glycoside

100

405.1265 (M + K+)

6.65

5.97

C21H22N2O4

Apodine

366.1580

Alkaloids

101

402.2446 (M + NH4+)

6.75

9.74

C20H32O7

Cinnzeylanol

384.2148

Terpenoids

102

455.0687 (M + Na+)

6.79

4.80

C24H16O8

Kaempferol 3-p-coumarate

432.0845

Phenolics

103

399.2339

6.85

4.83

C23H30N2O4

Desacetoxyvindoline

398.2206

Alkaloids

104

446.2690 (M + NH4+)

6.93

7.66

C24H32N2O5

Aspidoalbine

428.2311

Alkaloids

105

371.2226 (M + CH3OH + H+)

6.92

5.00

C22H26O3

5,7-Dimethoxy-8-prenylflavan

338.1882

Flavonoids

106

384.1988 (M + NH4+)

6.98

10.99

C19H26O7

Orizabin

366.1679

Terpenoids

107

435.1731

8.36

5.91

C26H26O6

Cycloartocarpin A

434.1729

Flavonoids

108

309.1449

8.49

8.04

C20H20O3

Isocordoin

308.1412

Phenolics

109

647.3895

8.74

11.05

C36H54O10

Gypsogenin 3-O-b-D-glucuronide

646.3717

Terpenoids

110

354.1438 (M + Na+)

8.96

5.61

C22H21NO2

Melochinone

331.1572

Alkaloids

111

301.0489

9.00

5.91

C12H12O9

Mumefural

300.0481

Furans

112

423.2096

9.20

6.47

C26H30O5

Alopecurone G

422.2093

Flavonoids

113

415.1712

9.27

5.81

C23H26O7

Heteroflavanone C

414.1679

Flavonoids

114

686.3632

9.39

9.61

C36H51N3O10

Avadharidine

685.3574

Terpenoids

115

415.2072

9.47

5.83

C24H30O6

Armillaripin

414.2042

Terpenoids

116

387.1727

9.63

6.36

C18H26O9

Methylsyringin

386.1577

Terpenoids

117

409.1384 (M + Na+)

9.63

7.39

C25H22O4

Fulvinervin B

386.1518

Flavonoids

118

229.1800

10.40

7.86

C13H24O3

Menthone 1,2-glyceryl ketal

228.1725

Monoterpenoid

119

289.1581

10.51

7.16

C16H20N2O3

( ±)-Rollipyrrole

288.1474

Alkaloids

120

423.2464

10.56

6.34

C23H34O7

Picrasin C

422.2305

Terpenoids

121

281.2062

10.56

4.42

C19H24N2

N-Methylaspidospermatidine

280.1939

Alkaloids

122

512.3634 (M + NH4+)

10.67

9.87

C33H42N4

Auricularine

494.3409

Alkaloids

123

389.1716

10.62

7.30

C25H24O4

Kanzonol E

388.1675

Flavonoids

124

531.3973 (M + NH4+)

10.80

9.25

C18H23NO4

Pandamarilactonine A

317.1627

Alkaloids

125

322.2130

10.78

6.69

C22H27NO

Phenazocine

321.2093

Alkaloids

126

368.2188 (M + NH4+)

10.89

5.09

C16H30O6

L-Citronellol glucoside

318.2042

Terpenoids

127

673.6284

10.96

14.58

C23H37NO5

Cammaconine

407.2672

Terpenoids

128

397.2128

11.06

4.91

C23H28N2O4

Echitovenine

396.2049

Alkaloids

129

600.4545 (M + NH4+)

11.22

10.79

C37H58O5

Hericene B

582.4284

Terpenoids

130

277.1950

11.27

5.58

C16H24N2O2

Carolinianine

276.1838

Alkaloids

131

694.3685 (M + NH4+)

11.29

5.20

C36H52O12

Cucurbitacin I 2-glucoside

676.3459

Terpenoids

132

275.2372

11.44

8.66

C19H30O

4,5-(methanoxy-2-methylethano)isolongifol-4-ene

274.2297

Sesquiterpenoid

133

513.3911

11.29

9.54

C33H52O4

Methyl 3b-hydroxy-13(18)-oleanen-28-oate

512.3866

Triterpenoid