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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