Table 1.
UHPLC-HRMS Characteristics of Polyphenol Compounds Identified and Quantified in Mango Samples. RT: retention time; [M-H]− Exp: experimental exact mass; Δ: mass error.
| RT (min) | Compound | Chemical Structure | [M-H]− Exp. (m/z)− | Δ (ppm) | MSIMI a |
|---|---|---|---|---|---|
| Phenolic Acid Derivatives | |||||
| 1.3 | Benzene-1,2-diol (pyrogallol) | C6H6O3 | 125.0233 | 0.39 | 1 |
| 3.1 | 3,4,5-Triydroxybenzoic acid (gallic acid) | C7H6O5 | 169.0137 | 0.77 | 1 |
| 6.6 | Gallic acid hexoside | C13H16O11 | 347.0608 | 1.73 | 2 |
| 8.8 | 3-O-Methylgallic acid | C8H7O5 | 183.0287 | 1.8 | 1 |
| 11.9 | 4-O-Methylgallic acid | C8H7O5 | 183.0287 | 1.8 | 1 |
| 8.7 | 3,4-Dihydroxybenzoic acid | C7H6O4 | 153.0182 | 0.23 | 1 |
| 9 | Benzoic acid | C7H6O2 | 121.0284 | 0.74 | 1 |
| 4.7 | Hydroxybenzoic acid hexoside 1 | C13H16O8 | 299.0767 | 3.76 | 2 |
| 7 | Hydroxybenzoic acid hexoside 2 | C13H16O8 | 299.0767 | 3.76 | 2 |
| 7.4 | Syringic acid glucoside 1 | C15H20O10 | 359.0972 | 1.91 | 2 |
| 7.8 | Syringic acid glucoside 2 | C15H20O10 | 359.0972 | 1.91 | 2 |
| 8.8 | Methyl gallate | C8H8O5 | 183.0287 | 1.64 | 2 |
| 11.9 | Methyl digallate ester 1 | C15H21O9 | 335.0397 | 4.3 | 2 |
| 13 | Methyl digallate ester 2 | C15H21O9 | 335.0397 | 4.3 | 2 |
| 7.1 | 4-Hydroxy-3-methoxybenzaldehyde (vanillic acid) | C8H8O4 | 167.0344 | 058 | 1 |
| 3.8 | Galloyl-quinic acid | C14H16O10 | 343.0659 | 1.63 | 2 |
| Flavan-3-ol derivatives | |||||
| 8.4 | Epigallocatechin | C15H14O7 | 305.0655 | 2.39 | 1 |
| 9.8 | Epigallocatechin gallate | C22H18O11 | 457.0765 | 3.87 | 1 |
| 11.1 | Epicatechin gallate | C22H18O11 | 457.0765 | 3.87 | 1 |
| Flavanone Derivatives | |||||
| 8.8 | Eriodyctiol | C15H12O6 | 287.0550 | 3.22 | 1 |
| 9.7 | Eriodyctiol hexoside 1 | C21H22O11 | 449.1078 | 1.59 | 2 |
| 10.4 | Eriodyctiol hexoside 2 | C21H22O11 | 449.1078 | 1.59 | 2 |
| 9.7 | Hesperetin glucoside 1 | C22H24O11 | 463.1234 | 0.18 | 2 |
| 12.3 | Hesperetin glucoside 2 | C22H24O11 | 463.1234 | 0.18 | 2 |
| Flavonol Derivatives | |||||
| 8.3 | Quercetin-hexoside 1 | C21H20O12 | 463.0877 | 2.09 | 2 |
| 11.1 | Quercetin-hexoside 2 | C21H20O12 | 463.0877 | 2.09 | 2 |
| 9.5 | Isorhamnetin hexoside 1 | C22H22O12 | 477.1027 | 2.05 | 2 |
| 9.9 | Isorhamnetin hexoside 2 | C22H22O12 | 477.1027 | 2.05 | 2 |
| Hydroxycinnamic acid derivatives | |||||
| 8.6 | Ferulic acid hexoside 1 | C16H20O9 | 355.1023 | 2.31 | 2 |
| 9.5 | Ferulic acid hexoside 2 | C16H20O9 | 355.1023 | 2.31 | 2 |
| 9 | Sinapic acid hexoside 1 | C17H22O10 | 385.1129 | 2.58 | 2 |
| 9.3 | Sinapic acid hexoside 2 | C17H22O10 | 385.1129 | 2.58 | 2 |
| 9.6 | sinapic acid hexoside 3 | C17H22O10 | 385.1129 | 2.58 | 2 |
| 8 | Caffeoyl-hexoside 1 | C15H18O9 | 341.0867 | 2.53 | 2 |
| 8.7 | Caffeoyl-hexoside 2 | C15H18O9 | 341.0867 | 2.53 | 2 |
| 8.9 | Caffeoyl-quinic 1 | C16H18O9 | 353.0867 | 1.96 | 2 |
| 10 | Caffeoyl-quinic 2 | C16H18O9 | 353.0867 | 1.96 | 2 |
| Xanthone | |||||
| 9.4 | Mangiferin | C19H18O11 | 421.0765 | 1.52 | 1 |
| Galloyl derivatives | |||||
| 2.7 | Mono-galloyl-glucose 1 | C13H16O10 | 331.0665 | 3.61 | 2 |
| 6.6 | Mono-galloyl-glucose 2 | C13H16O10 | 331.0665 | 3.61 | 2 |
| 9.9 | Tetra-O-galloyl glucoside 1 | C34H28O19 | 787.0994 | 2.04 | 2 |
| 10.7 | Tetra-O-galloyl glucoside 2 | C34H28O19 | 787.0994 | 2.04 | 2 |
| 11.3 | Penta-O-galloyl glucoside | C41H32O26 | 939.1035 | 1.87 | 2 |
a Metabolite Standards Initiative Metabolite Identification (MSIMI) levels [26]. Reference compounds were available for all compounds identified at MSIMI level 1.