Table 3.
Identification of phytochemical compounds in CBS extract by HPLC-ESI-qTOF-MS.
| Peak | RT (min) | [M−H] -- | Mol. Formula | Proposed Compound | Fragments |
|---|---|---|---|---|---|
| 1 | 0.96 | 181.0735 | C6H14O6 | Iditol | 89/101/163/73/59 |
| 2 | 1.01 | 195.0541 | C6H12O7 | Gluconic acid | 129/75/99/59 |
| 3 | 1.1 | 133.0157 | C4H6O5 | Malic acid | 89/73/133/71/115 |
| 4 | 1.17 | 191.0217 | C6H8O7 | Citric acid isomer 1 | 111/87/85/67/57 |
| 5 | 1.32 | 191.0213 | C6H8O7 | Citric acid isomer 2 | 111/87/85/67/57 |
| 6 | 1.7 | 96.9614 | − | * | − |
| 7 | 2.67 | 117.0546 | C5H10O3 | Butyric acid derivative | 71/117 |
| 8 | 3.01 | 153.0183 | C7H6O4 | Protocatechuic acid | 108/109/91/65/53 |
| 9 | 3.39 | 181.0495 | C9H10O4 | Propanoic acid derivative | 163/135/119/73/136/134/164 |
| 10 | 3.7 | 175.0587 | C7H12O5 | Isopropyl malic acid | 157/131/85/113/175/115 |
| 11 | 3.88 | 308.1352 | C14H15NO7 | N-Feruloylaspartic acid | 308/149/114/115/264/246 |
| 12 | 4.66 | 233.0671 | C9H14O7 | Isopropyl citric acid | 101/113/59/87/103 |
| 13 | 4.85 | 292.0443 | C13H11NO7 | Unknown 1 | − |
| 14 | 4.99 | 294.0533 | C13H13NO7 | N-Caffeoylaspartic acid | 160/135/71/88/134/179 |
| 15 | 5.04 | 589.1371 | C26H27N2O14 | N-Caffeoylaspartic acid dimer | 294/179/132/135 |
| 16 | 5.27 | 210.0758 | C10H13NO4 | Methoxytyrosine | 124/94/125/66/126/106 |
| 17 | 5.43 | 131.0707 | C6H12O3 | Leucinic Acid | 85/69 |
| 18 | 5.89 | 289.0693 | C15H14O6 | (Epi)catechin isomer 1 | 245/205/179/125/109/123 |
| 19 | 6.16 | 241.1191 | − | Unknown 2 | 82/141/112/70/130/58/197 |
| 20 | 6.46 | 409.1712 | C19H22O10 | Unknown 3 isomer 1 | 409/265/307/347/247/365 |
| 21 | 6.62 | 427.1811 | C17H32O12 | Glucopyranoside derivative | 59/71/55/73/85/101/113/197 |
| 22 | 6.81 | 278.0656 | C13H13NO6 | N-hydroxycinnamoyl aspartic acid | 119/114/163/162/216/234 |
| 23 | 7 | 165.0551 | C9H10O3 | Phenyllactic acid | 147/103/119/73 |
| 24 | 7.16 | 409.1735 | C19H22O10 | Unknown 3 isomer 2 | 409/265/307/347/247/365 |
| 25 | 7.58 | 289.0698 | C15H14O6 | (Epi)catechin isomer 2 | 245/205/179/125/109/123 |
| 26 | 7.77 | 275.1045 | C14H16N2O4 | Lactoyl-tryptophan | 275/127/231/109 |
| 27 | 7.92 | 577.1351 | C30H26O12 | Procyanidin B | 289/407/125/245/408/161 |
| 28 | 8.31 | 329.0901 | C14H18O9 | Vanillic acid glycoside | 329/59/241/71 |
| 29 | 8.54 | 437.1959 | C19H34O11 | Ebracteatoside D | 391/437/59/331/349 |
| 30 | 8.73 | 865.1958 | C45H38O18 | Procyanidin C | − |
| 31 | 9.08 | 305.0699 | C12H18SO7 | Hydroxyjasmonic acid sulfate isomer 1 | 225/59/147 |
| 32 | 9.27 | 305.0718 | C12H18SO7 | Hydroxyjasmonic acid sulfate isomer 2 | 225/59/147 |
| 33 | 9.61 | 307.0834 | C12H20SO7 | Dihydrojasmonic acid sulfate | 227 |
| 34 | 9.67 | 737.1635 | C36H34O17 | Procyanidin A hexoside | 449/611/539/289/737/125 |
| 35 | 9.75 | 427.1588 | C17H32O12 | Glycosidic derivative | 59/71/55/73/101/179 |
| 36 | 9.81 | 463.0838 | C21H20O12 | Quercetin glucoside | 300/301/302/151/179 |
| 37 | 9.9 | 707.1526 | C35H32O16 | Procyanidin A pentoside | 449/539/581/289/707/125 |
| 38 | 10 | 516.2378 | − | Unknown 4 | 184/516/164/127 |
| 39 | 10.23 | 433.0727 | C20H18O11 | Quercetin derivative | 300/301/271/255/243 |
| 40 | 10.46 | 238.1107 | − | Unknown 5 | 94/66/164/238 |
| 41 | 11.07 | 421.2063 | C19H34O10 | Unknown 6 | 421/277/319/359 |
| 42 | 12.12 | 299.0181 | C15H8O7 | Norwedelolactone | 299/271/151 |
| 43 | 12.46 | 329.2338 | C18H34O5 | Trihydroxy octadecenoic acid | 329/201/171 |
| 44 | 12.65 | 327.0507 | C17H12O7 | Hedysarimcoumestan F | 327/217/109 |
| 45 | 12.95 | 357.1217 | C16H22O9 | Sweroside | 357/241/139/59/151 |
| 46 | 17.83 | 271.2272 | C16H32O3 | Hydroxy hexadecanoic acid isomer 1 | 59 |
| 47 | 18.48 | 271.2277 | C16H32O3 | Hydroxy hexadecanoic acid isomer 2 | 225/223/226/55/197 |
*Peaks considered as residues because of the equipment, mobile phases and blanks used during the study.