NO | tR (min) | Compound | Formula | Precursor ion | Fragment ion (m/z) | Source MGF(Q)/MGF SA(T)/MIX(X) | |||
---|---|---|---|---|---|---|---|---|---|
Identity | Theoretical (m/z) | Experimental (m/z) | Mass accuracy (Δppm) | ||||||
F1/F2 | 0.80 | Epicatechin/catechin | C15H14O6 | [M−H]− | 289.0706 | 289.0715 | 2.99 | 151.6712, 137.0234 | Q/T/X |
F3 | 3.61 | Vestitol | C16H16O4 | [M+H]+ | 273.1121 | 273.1117 | − 1.63 | 243.8780, 123.0553 | Q/T/X |
F4 | 5.67 | Herbacetin | C15H10O7 | [M+H]+ | 303.0499 | 303.0493 | − 0.57 | 195.0912 | Q/T/X |
F5 | 5.88 | Rutin | C27H30O16 | [M+H]+ | 611.1606 | 611.1601 | − 1.93 | 303.1339 | Q/T/X |
F6 | 6.38 | Vicenin II | C27H30O15 | [M+H]+ | 595.1657 | 595.1650 | − 1.18 | 271.0952 | Q/T/X |
F7 | 6.86 | Echinatin | C16H14O4 | [M+H]+ | 271.0964 | 271.0968 | 0.31 | 239.1277, 151.1116 | Q/T/X |
F8 | 7.04 | Schaftoside | C26H28O14 | [M−H]− | 563.1395 | 563.1377 | − 3.25 | 431.1900, 401.1455, 268.8465 | Q/T/X |
F9 | 7.08 | Daidzein | C15H10O4 | [M+H]+ | 255.0651 | 255.0649 | − 1.11 | 137.0231 | Q/T/X |
F10 | 7.34 | Kumatakenin | C17H14O6 | [M+H]+ | 315.0863 | 315.0860 | − 0.71 | 167.0127 | Q/T/X |
F11/F12 | 7.39 | Quercetin 3-O-galactoside/herbacetin 7-glucoside | C21H20O12 | [M+H]+ | 465.1027 | 465.1025 | − 0.52 | 303.0495 | Q/T/X |
F13 | 7.66 | Apigenin 7-O-glucoside | C21H20O10 | [M+H]+ | 433.1129 | 433.1113 | − 3.54 | 271.0590 | Q/T/X |
F14/F15 | 7.69 | Liquiritigenin/Isoliquiritigenin | C15H12O4 | [M+H]+ | 257.0808 | 257.0802 | − 0.54 | 137.0229, 123.0435 | Q/T/X |
F16 | 7.72 | Isovitexin2-O-rhamnoside | C27H30O14 | [M−H]− | 577.1551 | 577.1534 | − 3.01 | 413.0857, 395.0730, 293.0441 | Q/T/X |
F17/F18 | 7.76 | Violanthin/isoviolanthin | C27H30O14 | [M+H]+ | 579.1708 | 579.1701 | − 1.26 | 433.1123, 271.0789 | Q/T/X |
F19 | 7.81 | Calycosin | C16H12O5 | [M+H]+ | 285.0757 | 285.0755 | − 0.66 | 269.0440 | Q/T/X |
F20 | 7.81 | Licoflavone A | C20H18O4 | [M+H]+ | 323.1277 | 323.1280 | 0.23 | 205.0856, 163.0383, 161.0023 | Q/T/X |
F21 | 7.93 | Naringenin | C15H12O5 | [M+H]+ | 273.0757 | 273.0756 | − 0.13 | 123.0439 | Q/T/X |
F22 | 7.95 | Kaempferol | C15H10O6 | [M+H]+ | 287.0550 | 287.0549 | − 0.05 | 137.0230 | Q/T/X |
F23 | 8.03 | Licochalcoe B | C16H14O5 | [M+H]+ | 287.0914 | 287.0902 | − 1.19 | 193.0849, 167.1064 | Q/T/X |
F24 | 8.04 | Isoliquiritin apioside | C26H30O13 | [M−H]− | 549.1602 | 549.1586 | − 1.69 | 417.1192, 255.0661 | Q/T/X |
F25 | 8.99 | Hesperidin | C28H34O15 | [M−H]− | 609.1813 | 609.1799 | − 1.40 | 463.2561, 445.0788, 283.0615 | Q/T/X |
F26 | 9.68 | Liquiritin apioside | C26H30O13 | [M+H]+ | 551.1759 | 551.1747 | − 1.17 | 419.1331 | Q/T/X |
F27 | 9.86 | Swertisin | C22H22O10 | [M+H]+ | 447.1285 | 447.1281 | − 0.46 | 329.1204, 242.1745 | Q/T/X |
F28 | 9.94 | Liquiritin | C21H22O9 | [M+H]+ | 419.1336 | 419.1324 | − 2.88 | 257.0798, 239.0695, 211.0746, 137.0229 | Q/T/X |
F29 | 9.98 | Ononin | C22H22O9 | [M+H]+ | 431.1336 | 431.1326 | − 2.38 | 269.0801 | Q/T/X |
F30 | 9.98 | Formononetin | C16H12O4 | [M+H]+ | 269.0808 | 269.0800 | − 2.80 | 254.0557, 226.1584, 213.0910, 137.0230 | Q/T/X |
F31 | 10.11 | Apigenin | C15H10O5 | [M−H]− | 269.0444 | 269.0443 | − 0.40 | 241.0254, 176.0345 | Q/T/X |
F32 | 10.90 | Eurycarpin A | C20H18O5 | [M+H]+ | 339.1227 | 339.1242 | 4.45 | 325.1068, 203.1429, 247.1325 | Q/T/X |
F33 | 13.27 | Tricin | C17H14O7 | [M−H]− | 329.0655 | 329.0660 | 1.30 | 315.2176 | Q/T/X |