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Table 2 Identification of phenolic constituents in bioactive fractions of N. oleracea based on UHPLC–MS/MS data

From: Antioxidants and α-glucosidase inhibitors from Neptunia oleracea fractions using 1H NMR-based metabolomics approach and UHPLC-MS/MS analysis

Peak no.

Retention time (min)

[M-H]

MS2 fragments

Metabolites

Fraction

Quercetin derivatives

 10

6.08

609.1462

462.1379, 447.1857, 301.1432, 300.9840

Quercetin 3-O-α-L-rhamnoside-7-O-β-D-glucoside

EF, MF

 14

6.76

755.2040

489.2963, 343.1366, 301.0490, 300.0709, 271.2123, 254.9304, 179.0495, 169.3014

Quercetin 3-O-(2, 6-di-O-rhamnosylglucoside)

MF

 15

6.81

625.1174

463.0464, 301.0478, 300.0883

Quercetin-3,7-di-O-glucoside

MF

 22

7.36

609.1458

300.0327, 271.0090, 179.0178, 150.9577

Quercetin-3-O-rutinoside (Rutin)

EF, MF

 26

7.70

477.0439

300.0253, 179.8799, 151.0737

Quercetin-3-O-glucoronide

EF

 27

7.71

463.0919

300.070776, 271.1503, 255.2690, 179.0888, 151.0687

Quercetin-3-O-glucoside

EF, MF

 28

7.94

433.0780

300.1089, 283.1775, 271.1692, 255.2084, 179.1739, 151.1124

Quercetin-3-O-xyloside

EF, MF

 29

7.97

623.0173

315.0298, 314.0549, 300.0549, 151.0594

Isorhamnetin-3-O-rutinoside

EF, MF

 30

8.07

433.0779

300.0705, 271.1375, 255.0952, 179.1469, 151.0447

Quercetin-3-O-arabinoside

EF, MF

 32

8.29

447.0931

301.0434, 300.0367, 271.0428, 255.0371, 178.9992, 151.0714

Quercetin-3-O-rhamnoside

EF, MF

 36

10.25

301.0394

273.0342, 178.9904, 151.0353, 121.0899

Quercetin

EF

Apigenin derivatives

 12

6.30

593.1517

473.0582, 383.2079, 353.1768, 297.0308

Apigenin-6,8-di-C- β-D-glucopyranoside (Vicenin 2)

EF, MF

 21

7.31

577.1563

457.0943, 413.1237, 311.1826, 293.0732

Vitexin-2″-O-rhamnoside

EF, MF

 23

7.39

431.1924

413.1062, 341.0215, 311.1169, 283.0694

Vitexin

EF, MF

 24

7.45

431.0983

413.1362, 353.1137, 341.0769, 311.1139, 283.1790

Isovitexin

EF, MF

Myricetin derivatives

 16

6.88

625.1409

317.0156, 316.0339, 271.0775, 179.0016

Myricetin-3-O-rutinoside

MF

 18

7.03

479.0832

316.0643, 287.0108, 271.0499, 179.0824, 151.0429

Myricetin-3-O-glucoside

EF, MF

 19

7.07

463.0921

316.0347, 286.7651, 178.9603, 150.8803

Myricetin-3-O-rhamnoside

EF, MF

 20

7.25

449.0729

316.0244, 287.0781, 271.0527, 179.0751

Myricetin-3-O-arabinoside

EF, MF

Kaempferol derivatives

 25

7.51

593.0462

473.0836, 447.1271, 327.0242, 285.0153, 284.0652

Kaempferol 7-O-(2″-rhamnosyl)-glucoside

EF, MF

 31

8.22

447.1433

283.9436, 255.0079, 227.1132

Kaemperol-3-O-glucoside

EF, MF

 34

8.52

417.1216

284.9989, 284.0469, 255.0592, 227.2742

Kaempferol-3-O-arabinoside

EF, MF

 35

8.91

431.0986

285.0370, 284.0700, 255.0252, 227.0798, 179.1416

Kaempferol-3-O-rhamnoside

EF, MF

 37

13.95

285.2077

285.1903, 217.0465, 151.1716

Kaempferol

EF

Other flavonoids

 8

5.77

609.0889

519.1772. 489.0393, 399.0961, 369.1139

Luteolin-6,8-di-C-β-D-glucopyranoside (Leucenin 2)

MF

 9

5.97

289.0684

245.1160, 203.1322, 179.0933, 137.0067, 123.0869

Catechin

EF, MF

 13

6.70

457.0777

331.6168, 304.8813, 287.1606, 269.0464, 192.9943, 169.0064

(−)-Epigallocatechin-3-gallate

EF, MF

 17

6.85

447.0937

357.1292, 339.0839, 327.0893, 297.0871, 285.0973

Luteolin-8-C-glucoside (Orientin)

EF, MF

 33

8.51

461.1090

446.0747, 297.9769, 283.0961, 255.3977

Gliricidin-O-hexoside

EF, MF

Phenolic acid derivatives

 2

1.20

304.9145

175.0625, 146.8956

Cinnamic acid derivative

EF

 3

1.95

331.0674

312.9470, 271.0817, 210.9991, 168.9899, 151.9876, 125.0873

Monogalloylglucose

EF, MF

 5

4.74

427.0858

358.9084, 197.0540, 182.0402, 153.2345, 138.0547

Syringic acid derivative

MF

 6

5.31

285.0620

152.9958, 152.0484, 134.9576, 109.0381, 108.0353

Protocatechuic acid-O-pentoside

MF

 7

5.51

483.0779

271.0838, 211.4571, 169.0153

Digalloylglucose

EF, MF

 11

6.14

367.0671

183.0357, 168.1031, 139.0077, 123.9010

Methylgallate dimer

MF

Others

 1

1.17

683.2252

341.0159, 178.9980, 161.0347, 149.0118, 143.0902, 130.9740, 118.9781, 89.0819, 70.9360

Hexose polymer

MF

 4

4.60

315.1091

153.0167, 123.0025

Hydroxytyrosol hexoside

EF