Table 5.
Proposed Compounds | Class/Subclass | Molecular Formula | m/z Meas. | RT (min) | mSigma |
---|---|---|---|---|---|
Quinic acid | Organic acid | C7H12O6 | 191.0560 | 4.54 | 10.6 |
Tyrosol-hexoside-pentoside | Phenylethanoids | C19H28O11 | 431.1557 | 4.8 | 17.7 |
4-Hydroxybenzoic acid | PA/HB | C7H6O3 | 137.0241 | 5.04 | 10 |
Chlorogenic acid/caffeoyl-quinic acid | PA/HC | C16H18O9 | 353.0879 | 6.62 | 20.6 |
Benzoic acid | PA/HB | C7H6O2 | 121.0293 | 6.79 | 1.7 |
Procyanidin trimer B | FL/flavanol oligomer | C45H38O18 | 865.1973 | 6.86 | 48.2 |
Procyanidin dimer B | FL/flavanol oligomer | C30H26O12 | 577.1338 | 7.01 | 4.7 |
Catechin | FL/flavanol | C15H14O6 | 289.0717 | 7.99 | 4.1 |
Quercetin—dihexose | FL/flavanol | C27H30O17 | 625.1405 | 9.44 | 21.7 |
Quercetin O-arabinosyl-glucoside | FL/flavanol | C26H28O16 | 595.1300 | 10.46 | 7.9 |
Rutin | FL/flavanol | C27H30O16 | 609.1457 | 10.76 | 9.8 |
Nudiposide | Lignan | C27H36O12 | 551.2130 | 11.34 | 5.6 |
Epigallocatechin 3-coumarate | FL/flavanol | C24H20O9 | 451.1031 | 11.61 | 8.6 |
Taxifolin | FL/flavanonol | C15H12O7 | 303.0507 | 11.64 | 3.9 |
Quercetin | FL/flavanol | C15H10O7 | 301.0352 | 11.82 | 25.6 |
Quercetin 3-glucoside | FL/flavanol | C21H20O12 | 463.0881 | 11.85 | 4.3 |
Quercetin 3-glucuronide | FL/flavanol | C21H18O13 | 477.0674 | 11.94 | 12.7 |
Procyanidin dimer A | FL/flavanol oligomer | C30H24O12 | 575.1189 | 12.45 | 12 |
Kaempferol-hexose | FL/flavanol | C21H20O11 | 447.0931 | 13.14 | 22.9 |
Luteolin 7-O-(2″-O-pentosyl) hexoside | FL/flavone | C26H28O15 | 579.1354 | 13.49 | 9.1 |
Procyanidin trimer A | FL/flavanol oligomer | C45H36O18 | 863.1812 | 14.03 | 58.5 |
Kaempferol O-glucosyl-rhamnoside | FL/flavanol | C27H30O15 | 593.1505 | 14.49 | 12.5 |
Neosakuranetin | FL/chalcone | C22H24O10 | 44731298 | 14.62 | 11.9 |
p-coumaric acid | PA/HC | C9H8O3 | 163.0399 | 16.32 | 6.5 |
(±)-Naringenin | FL/flavanone | C15H12O5 | 271.0611 | 16.69 | 14.1 |
* Abbreviations: PA: phenolic acid; HB: hydroxybenzoic acid; HC: hydroxycinnamic acid; FL: flavonoids.