TABLE 2.
Details of 49 main metabolites in JTQBG.
| Number | Main metabolites | m/z | Retention time (min) | Adducts | Formula | Peak area |
|---|---|---|---|---|---|---|
| 1 | betaine | 118.09 | 1.18 | M + H | C5H11NO2 | 1647343.72 |
| 2 | sinomenine | 330.17 | 9.94 | M + H, M + Na | C19H23NO4 | 683794866.50 |
| 3 | acutumine | 398.14 | 10.68 | M + H | C19H24ClNO6 | 38850361.76 |
| 4 | 4-caffeoylquinic acid | 355.10 | 11.91 | M + H-H2O, M + H, M + Na, M + K | C16H18O9 | 35233672.73 |
| 5 | caffeic acid | 163.04 | 12.44 | M + H-2H2O, M + H-H2O, M + H | C9H8O4 | 11177331.13 |
| 6 | albiflorin | 481.17 | 13.67 | M + H, M + NH4, M + Na, M + K | C23H28O11 | 77104617.01 |
| 7 | magnoflorine | 342.17 | 13.88 | M+ | C20H24NO4+ | 82927379.33 |
| 8 | 4′-o-methylglabridin | 356.19 | 14.45 | M + NH4 | C21H22O4 | 317062697.30 |
| 9 | gancaonin x | 356.19 | 16.23 | M + NH4 | C21H22O4 | 31787476.73 |
| 10 | quercetin-3-o-[β-d-glucopyranosyl-(1–2)-β-d-galactopyranoside] | 627.16 | 16.52 | M + H, M + Na | C27H30O17 | 8140904.18 |
| 11 | ferulic acid | 177.05 | 16.72 | M + H-H2O, M + H | C10H10O4 | 4311206.46 |
| 12 | (−)-8-oxotetrahydrothalifendine | 322.11 | 16.80 | M + H-H2O | C19H17NO5 | 26704158.54 |
| 13 | l-phenylalaninosecologanin | 538.23 | 17.92 | M + H | C26H35NO11 | 34098029.52 |
| 14 | 3,5-Dicaffeoylquinic acid | 499.12 | 18.53 | M + H-H2O, M + H, M + Na | C25H24O12 | 27312764.42 |
| 15 | sinomendine | 338.14 | 18.84 | M + H | C20H19NO4 | 26283186.48 |
| 16 | quercetin | 303.05 | 19.38 | M + H | C15H10O7 | 4975196.40 |
| 17 | berberine | 336.12 | 19.86 | M+ | C20H18NO4+ | 13165455.46 |
| 18 | isoliquiritigenin | 257.08 | 26.29 | M + H | C15H12O4 | 2214406.68 |
| 19 | harpagoside | 517.17 | 26.34 | M + Na, M + K | C24H30O11 | 22194228.87 |
| 20 | licoricesaponine g 2 | 839.40 | 31.13 | M + H-H2O, M + H, M + Na | C42H62O17 | 48576944.39 |
| 21 | 18 alpha-glycyrrhetinic acid | 453.34 | 32.08 | M + H-2H2O, M + H-H2O, M + H | C30H46O4 | 101988357.10 |
| 22 | uralsaponin B | 845.39 | 33.56 | M + NH4, M + Na, M + K | C42H62O16 | 28857996.62 |
| 23 | angelicide | 403.19 | 34.08 | M + H-H2O, M + H, M + NH4, M + Na | C24H28O4 | 75803510.75 |
| 24 | levistolid A | 403.19 | 34.46 | M + H, M + NH4, M + Na | C24H28O4 | 89263012.37 |
| 25 | 1-monolinolein | 377.27 | 39.31 | M + H-H2O, M + H, M + NH4, M + Na, M + K | C21H38O4 | 23898870.63 |
| 26 | maltose | 341.11 | 1.43 | M-H, M + FA-H | C12H22O11 | 49770501.52 |
| 27 | catalpol | 407.12 | 4.61 | M-H, M + FA-H | C15H22O10 | 15859881.46 |
| 28 | monotropein | 389.11 | 4.61 | M-H | C16H22O11 | 7056556.27 |
| 29 | isohomoarbutin | 331.10 | 6.79 | M + FA-H | C13H18O7 | 18758641.91 |
| 30 | rehmannioside D | 731.23 | 7.98 | M-H, M + FA-H | C27H42O20 | 3639888.68 |
| 31 | isochlorogenic acid | 353.09 | 9.48 | M-H | C16H18O9 | 32676887.92 |
| 32 | harpagide | 409.13 | 9.57 | M-H, M + FA-H | C15H24O10 | 10440175.44 |
| 33 | oxypaeoniflorin | 495.15 | 11.01 | M-H | C23H28O12 | 453013.89 |
| 34 | catechin | 289.07 | 11.21 | M-H | C15H14O6 | 54698.22 |
| 35 | chlorogenic acid | 353.09 | 12.35 | M-H, M + Na-2H | C16H18O9 | 33539784.96 |
| 36 | geniposidic acid | 373.11 | 13.55 | M-H | C16H22O10 | 28762988.81 |
| 37 | paeoniflorin | 525.16 | 15.61 | M-H, M + FA-H | C23H28O11 | 124111604.30 |
| 38 | 7-epi-vogeloside | 433.13 | 17.17 | M-H, M + FA-H | C17H24O10 | 18704941.89 |
| 39 | deacetyl asperulosidic acid methyl ester | 403.12 | 17.35 | M-H, M + FA-H | C17H24O11 | 26686675.48 |
| 40 | liquiritin | 417.12 | 17.71 | M-H | C21H22O9 | 16514559.91 |
| 41 | 6-o-e-p-coumaroyl scandoside methyl ester | 549.16 | 17.88 | M-H | C26H30O13 | 37580663.19 |
| 42 | cinaroside | 447.09 | 19.34 | M-H | C21H20O11 | 4390034.33 |
| 43 | hyperoside | 463.09 | 19.82 | M-H | C21H20O12 | 3076929.92 |
| 44 | iso chlorogenic acid a | 515.12 | 20.49 | M-H, M + Na-2H | C25H24O12 | 49420747.60 |
| 45 | centauroside | 803.26 | 21.21 | M-H, M + FA-H | C34H46O19 | 12061799.62 |
| 46 | liquiritigenin | 255.07 | 21.88 | M-H | C15H12O4 | 3306799.99 |
| 47 | 8-o-feruloylharpagide | 539.18 | 26.74 | M-H, M + Na-2H | C25H32O13 | 11454576.98 |
| 48 | glycyrrhizic acid | 821.40 | 32.42 | M-H | C42H62O16 | 84972591.73 |
| 49 | licoricesaponine k2 | 821.40 | 33.18 | M-H, M + Na-2H | C42H62O16 | 30358541.99 |