Table 1.
Main chemical compounds detected and characterized of the different phenolic fractions of P. utilis fruits using UHPLC-ESI-HRMS/MS in negative/positive mode.
| Peak No. | Compounds | RT a (min) | [M − H]− (m/z) | [M]+ (m/z) | Error (ppm) | Molecular Formula | MS/MS Fragment Ions | Reference | TPF * | FF * | AF * |
|---|---|---|---|---|---|---|---|---|---|---|---|
| 1 | Protocatechuic acid | 3.68 | 153.0187 | 2.907 | C7H6O4 | 109.0284(66) | Standard | √ | √ | ||
| 2 | Penstemide | 4.77 | 443.1935 | 5.272 | C21H32O10 | 101.0233(90) | [23] | √ | |||
| 3 | p-Coumaric acid | 6.43 | 163.0394 | 0.495 | C9H8O3 | 119.0492(100) | Standard | √ | √ | ||
| 4 | Kaempferol-3-O-glucoside | 8.96 | 447.0946 | 5.328 | C21H20O11 | 284.0333(100), 285.0408(60) | Standard | √ | √ | ||
| 5 | Kaempferol-3-O-rhamnosylhexose | 10.32 | 593.1531 | 5.131 | C27H30O15 | 284.0328(10), 593.1530(100) | [24] | √ | √ | ||
| 6 | Dihydroquercetin rhamnoside | 10.88 | 449.1102 | 5.326 | C21H22O11 | 125.0235(61), 151.0030(20) | [24] | √ | √ | ||
| 7 | Catechin | 10.92 | 289.0726 | 6.695 | C15H14O6 | 123.0442(80), 109.0284(100) | Standard | √ | √ | ||
| 8 | Isoschaftoside | 13.56 | 563.1422 | 4.649 | C26H28O14 | 563.1422(100), 353.0677(61) | Standard | √ | √ | ||
| 9 | Rutin | 15.42 | 609.1476 | 4.217 | C27H30O16 | 300.0282(77), 609.1479(100) | Standard | √ | √ | √ | |
| 10 | Quercetin-3-O-glucoside | 16.01 | 463.0896 | 5.329 | C21H20O12 | 271.0254(30), 300.0282(100) | Standard | √ | √ | √ | |
| 11 | Quercetin 3-(6-O-acetyl-beta-glucoside) | 16.92 | 505.1003 | 5.173 | C23H22O13 | 300.0283(100), 301.0351(45) | Mass bank | √ | √ | ||
| 12 | Isorhamnetin-3-O-rutinoside | 17.39 | 623.1636 | 4.668 | C28H32O16 | 315.0519(100), 623.1638(38) | Standard | √ | √ | √ | |
| 13 | Kaempferol-3-O-hexoside | 17.63 | 447.0946 | 5.328 | C21H20O11 | 285.0395(30), 284.0334(100) | [24] | √ | √ | ||
| 14 | Isorhamnetin-3-O-glucoside | 18 | 477.1051 | 4.858 | C22H22O12 | 314.0441(100), 477.1050(20) | Standard | √ | √ | √ | |
| 15 | Cyanidin-3-O-glucoside | 9.98 | 449.1074 | −1.398 | C21H21O11 | 287.0548(100), 288.0580(17) | Standard | √ | √ | √ | |
| 16 | Cyanidin-3-O-rutinoside | 10.91 | 595.1655 | −1.086 | C27H31O15 | 287.0549(100), 449.1072(10) | [25] | √ | √ | √ | |
| 17 | Peonidin-3-O-rutinoside | 12.87 | 609.1810 | −0.700 | C28H33O15 | 301.0705(100), 463.1230(10) | [25] | √ | √ | ||
| 18 | Peonidin-3-O-sophoroside-5-O-glucoside | 13.38 | 787.2283 | −1.251 | C34H43O21 | 463.1229(10) | [26] | √ | √ | ||
| 19 | Delphinidin-3-O-rutinoside | 14.71 | 611.1603 | −0.722 | C27H31O16 | 303.049(100), 304.0528(20) | Mass bank | √ | √ | ||
| 20 | Petunidin-3-O-glucoside | 16.83 | 479.1178 | −1.070 | C22H23O12 | 317.0653(100) | [25] | √ | √ |
a RT, retention time; * TPF means the total phenolic fraction; FF means flavonoid fraction; AF means anthocyanin fraction.