Table 2.
No. | Putative Identification a | RT b (min) | UHPLC-LTQXL-IT-MS/MS | p-Value | Id g | ||||
---|---|---|---|---|---|---|---|---|---|
m/z Posi c | m/z Nega d | M.W. e | MSn Fragment Patterns f | UV (nm) | |||||
1 | Quinic acid | 1.02 | - | 191 | 192 | 173 | 214, 279 | 4.00E-04 | Ref. [33] |
3 | 6-Hydroxykaempferol-O-galloylhexoside | 7.09 | 617 | 615 | 616 | 463 > 301 | 221, 265, 352 | 2.89E-02 | Ref. [32] |
4 | Quercetin-3-O-arabinoside | 7.89 | 435 | 433 | 434 | 301 | 239, 368 | 2.53E-02 | Ref. [35] |
5 | Quercetin-3-O-rhamnoside | 8.08 | 449 | 447 | 448 | 301 > 151 | 232, 277 | 4.70E-03 | Ref. [35] |
6 | Dicaffeoylquinic acid | 8.28 | 517 | 515 | 516 | 353 > 191 | 214, 322 | 4.76E-02 | Ref. [33] |
7 | Kaempferol-3-O-rhamnoside | 8.61 | 433 | 431 | 432 | 285 | 228, 280 | 3.95E-02 | Ref. [35] |
8 | Kaempferol derivative | 8.63 | 479 | 477 | 478 | 431 > 285 | 271, 281 | 3.63E-02 | Ref. [35] |
13 | Kaempferol-7-O-rutinoside | 9.34 | 595 | 593 | 594 | 447 > 285 | 276 | 9.00E-04 | Ref. [33] |
14 | Quercetin | 9.69 | 303 | 301 | 302 | 151 | 214, 274 | 9.00E-04 | STD |
17 | Kaempferol | 10.63 | 287 | 285 | 286 | 279 | 1.97E-02 | STD | |
20 | N.I. 4 | 11.96 | 309 | 307 | 308 | 289 > 235 | 214, 279 | 1.95E-02 | |
25 | Quercetin-O-pentoside | 7.83 | 435 | 433 | 434 | 301 | 217, 268 | 3.50E-03 | Ref. [32] |
26 | Apigenin | 10.47 | 271 | 269 | 270 | 269, 151 | 285, 318 | 4.01E-02 | STD |
27 | N.I. 9 | 10.74 | 661 | 659 | 660 | 202, 280 | 3.20E-03 |
a Putative metabolites based on variable importance projection (VIP) analysis with cutoff value of 0.7 and a p-value <0.05. b Retention time. c Molecular ion detected in positive mode, [M + H]+. d Molecular ion detected in negative mode, [M − H]−. e Molecular weight. f MSn fragment patterns detected in negative ion mode. g Identification: STD, standard compound/Ref., references.