| No. | Retention time (min) | Exact mass (m/z) | Molecular formula | Error (ppm) | MS2 data (m/z) | Identification |
| 1 | 2.74 | 195.05034 | C6H12O7 | 2.10 | 129(20), 75(100) | Gluconic acid | 2 | 2.89 | 341.10883 | C12H22O11 | 2.89 | 179(5), 113(20), 89(40), 71(70), 59(100) | Caffeic acid-glucoside | 3 | 2.92 | 191.05537 | C7H12O6 | 1.88 | 93(20), 85(100) | Quinic acid | 4 | 3.36 | 133.01324 | C4H6O5 | 0.67 | 115(80), 71(100) | Malic acid | 5 | 4.47 | 191.01901 | C6H8O7 | 2.01 | 129(10), 111(100) | Critic acid | 6 | 5.41 | 343.06739 | C14H16O10 | 4.29 | 191(80), 169(70), 125(95), 107(100) | Galloyle-quinic acid | 7 | 5.87 | 481.06250 | C20H17O14 | 2.54 | 301(100), 275(60), 257(30), 229(40), 185(20) | HHDP-glucoside | 8 | 5.91 | 331.0674 | C13H16O10 | 3.93 | 169(80), 125(100) | Galloyle-glucoside | 9 | 8.78 | 169.01338 | C7H6O5 | 1.36 | 125(100) | Gallic acid | 10 | 9.21 | 343.10367 | C14H16O10 | 3.49 | 191(100), 169(70), 125(85), 107(90) | Galloyle-quinic acid | 11 | 9.29 | 483.07867 | C20H20O14 | 3.60 | 331(10), 169(60), 125(100), 107(30) | Digalloyl-glucoside | 12 | 12.05 | 483.07825 | C20H20O14 | 2.73 | 331(10), 169(60), 125(100), 107(20) | Digalloyl-glucoside | 13 | 13.63 | 483.07828 | C20H20O14 | 2.79 | 331(15), 169(60), 125(100), 107(20) | Digalloyl-glucoside | 14 | 15.44 | 153.01847 | C7H6O4 | 1.52 | 109(100) | 2,3-Dihydroxybenzoic acid | 15 | 17.98 | 353.08796 | C16H18O9 | 3.53 | 191(80), 179(30), 161(10), 135(100), 85(30) | 5-O-caffeoylquinic acid | 17 | 18.01 | 483.07819 | C20H20O14 | 2.31 | 313(25), 169(80), 125(100), 107(30) | Digalloyl-glucoside | 18 | 22.76 | 339.07232 | C15H16O9 | 3.72 | 177(100), 133(30), 105(20), 89(20) | Esculin hydrate | 19 | 35.40 | 177.01860 | C9H6O4 | 2.06 | 149(20), 133(90), 105(50), 89(40) | Esculetin | 20 | 35.94 | 353.08795 | C16H18O9 | 3.47 | 191(100), 161(5), 127(5), 93(15), 85(30) | 3-O-caffeoyl quinic acid | 21 | 38.64 | 353.08807 | C16H18O9 | 3.86 | 191(40), 179(30), 173(50), 161(5), 135(100), 127(5), 93(50) | 4-O-caffeoyl quinic acid | 22 | 64.99 | 367.1045 | C17H20O9 | 2.97 | 191(100), 193(20), 173(10), 155(5), 134(60), 93(80) | Feruloylquinic acid | 23 | 65.23 | 515.11951 | C25H24O12 | 1.97 | 353(10), 191(95), 179(50), 161(15), 135(100), 85 (20) | 1,3-Di-O-caffeoyl quinic acid | 24 | 65.24 | 635.08911 | C27H24O18 | 1.92 | 465(50), 313,(40), 169(95), 125(100), 107(20) | Tri-O-galloyl-glucoside | 25 | 66.52 | 469.0049 | C21H30O15 | 1.80 | 300(100), 271(20), 229(30), 185(10) | Ellagic acid blactone | 26 | 97.66 | 300.99887 | C14H6O8 | 3.24 | 284(10), 245(20), 229(30), 185(10) | Ellagic acid | 27 | 98.11 | 463.08832 | C21H20O12 | 2.41 | 301(100)175(20), 151(50), 107(30) | Quercetin-7-O-glucoside | 28 | 102.55 | 463.08832 | C21H20O12 | 2.63 | 300(70), 271(100), 255(50), 243(40), 227(20), 151(20) | Hyperoside | 29 | 103.47 | 609.14618 | C27H30O16 | 1.92 | 300(90), 271(100), 255(50), 243(30), 227(10), 151(20) | Rutin | 30 | 106.13 | 447.0934 | C21H20O11 | 2.89 | 285(100), 256(20), 227(20), 133(30) | Luteolin-O-glucoside | 31 | 106.41 | 477.06766 | C21H18O13 | 2.71 | 301(100), 255(30), 227(10) , 179(35), 151(60), 107(30) | Quercetin-3-O-glucuronide | 32 | 107.45 | 463.08844 | C21H20O12 | 2.89 | 300(90), 271(100), 255(50), 243 (30), 227(20), 151(10) | Quercetin-3-O-glucoside | 33 | 107.37 | 681.13068 | C29H30O16 | 1.36 | 351(40), 299(60), 193(40), 113(80) | Tricin-7-O-diglucuronide | 34 | 108.05 | 463.08847 | C21H20O12 | 2.95 | 300(80), 271(100), 255(50), 243(30), 227(20), 151(15) | Quercetin-3ā²-O-glucoside | 35 | 115.70 | 433.07784 | C20H18O11 | ā | 300(90), 271(100), 255(50), 243(30), 227(20), 151(15) | Quercetin-3-O-arabinoside | 36 | 116.39 | 515.11957 | C25H24O12 | 2.27 | 353(10), 191(50), 179(50), 173(55), 161(25), 135(100), 93(40) | 3,4-Di-O-caffeoyl quinic acid | 37 | 120.79 | 515.11963 | C25H24O12 | 2.38 | 353(10), 191(50), 179(50), 173(55), 161(25), 135(100) | 3,5-Di-O-caffeoyl quinic acid | 38 | 129.63 | 447.09344 | C21H20O11 | 2.80 | 284(50), 255(90), 227(100), 183(20), 151(5) | Kampferol-O-glucoside | 39 | 130.18 | 447.09344 | C21H20O11 | 2.81 | 300(85), 271(100), 255(55), 243(30), 227(15), 179(10), 151(20) | Quercetin-3-O-rhahmanoside | 40 | 136.16 | 515.11938 | C25H24O12 | 1.90 | 353(20), 191(40), 179(45), 173(70), 161(20), 135(100) | 4,5-Di-O-caffeoyl quinic acid | 41 | 140.94 | 431.09863 | C21H20O10 | 3.15 | 284(50), 255(100), 227(90), 211(20), 183(10) | Kampferol-O-rhamnoside | 42 | 141.43 | 417.11948 | C21H22O9 | 3.51 | 255(100), 180(80), 153(30), 148(70), 135(80), 119(95), 108(50), 91(100) | Isoliquiritigenin-O-glucoside | 43 | 145.43 | 529.13531 | C26H26O12 | 2.38 | 367(5), 193(20), 179(5), 173(100), 161(20), 134(50), 93(70) | 4-O-feruloyl, 5-O-caffeoy quinic acid | 44 | 149.76 | 285.04050 | C15H10O6 | 3.98 | 257(5), 243(5), 217(5), 131(100) | Luteolin | 45 | 150.45 | 253.05049 | C15H10O4 | 3.77 | 225(100), 210(10), 181(5) | Daidzein | 46 | 150.53 | 431.09839 | C21H20O10 | 2.59 | 269(100), 240(10), 225(40), 181(10) | Apigenin-O-gucoside | 47 | 155.98 | 247.13373 | C15H20O3 | 3.47 | 231(5), 203(100), 188(10), 163(20), 109(30) | Rupestonic acid | 48 | 157.41 | 299.05627 | C16H12O6 | 4.21 | 284(100), 256(80), 151(10) | Diosmetin |
|
|