Table 2. Chemical information of the 22 compounds from the plasma concentration testing.
| TR (min) | Formula | ES− (m/z) | MS2 | ES+ (m/z) | MS2 | Identification | |
|---|---|---|---|---|---|---|---|
| 1 | 1.091 | C10H12N5O6P | 328.0446 (−0.3) | 134.0471[ADE]− | cAMP | ||
| 2 | 1.375 | C7H6O5 | 169.0135 (5.3) | 125.0262[M − H − CO2]− | Gallic acid | ||
| 3 | 2.969 | C23H28O12 | 495.1472 (−6.3) | 137.0259[4 − OH − BZ − H]− | Oxypaeoniflorin | ||
| 4 | 4.213 | C23H28O11 | 525.1625[M + HCOO−]− | 121.0299[BZ − H]− | 481.1685 (−5.2) | 319.1195[M + H − Glc]+ | Albiflorin |
| 5 | 4.583 | C23H28O11 | 525.1614[M + HCOO−]− | 449.1448[M − H − HCHO]− | 503.1523[M + Na] | 301.1110[M + H − Glc − H2O + H]+ | Paeoniflorin |
| 6 | 5.185 | C21H22O9 | 417.1177 (−2.1) | 255.0667[M − H − Glc]− | 419.1327 (−3.6) | 257.0776[M + H − Glc]+ | Liquiritin |
| 7 | 5.327 | C26H30O13 | 549.1616 (1.4) | 417.1204[M − H − Api]− | 551.1766 (−5.3) | 257.0788[M + H − Api − Glc]+ | Liquiritin apioside |
| 8 | 5.693 | C41H32O26 | 939.1078 (−2.8) | 169.016[GA − H]− | Pentagalloylglucose | ||
| 9 | 7.617 | C26H30O13 | 549.1638 (5.5) | 417.1241[M − H − Api]− | 551.1758 (−1.3) | 257.078[M + H − Api − Glc]+ | Isoliquritin apioside |
| 10 | 7.923 | C21H22O9 | 417.1193 (1.7) | 255.0663[M − H − Glc]− | 419.1311 (−7.4) | 257.0795[M + H − Glc]+ | Isoliquiritin |
| 11 | 8.271 | C21H22O9 | 419.1318 (−5.7) | 257.0800[M + H − Glc]+ | Neoisoliquiritin | ||
| 12 | 8.286 | C22H22O9 | 475.1277[M + HCOO−]− | 267.0660[M − H − Glc]− | 431.1333 (−2.1) | 269.0769[M + H − Glc]+ | Ononin |
| 13 | 8.41 | C15H12O4 | 255.0664 (2.7) | 135.0101[M − H − VP]− | 137.0207[M + H − VP]+ | Liquiritigenin | |
| 14 | 9.022 | C30H32O13 | 599.1772 (1.2) | 137.0209[4 − OH − BZ − H]− | Benzoyloxypaeoniflorin | ||
| 15 | 11.07 | C30H32O12 | 629.1867[M + HCOO−]− | 121.0301[BZ − H]− | Benzoylpaeoniflorin | ||
| 16 | 12.229 | C15H12O4 | 255.0674 (6.7) | 135.0197[M − H − VP]− | 257.0824 (3.9) | Isoliquiritigenin | |
| 17 | 12.734 | C16H12O4 | 267.0657 (0.0) | 252.0461[M − H − CH3]− | 269.0813 (6.3) | 237.0540[M + H − CH3OH]+ | Isoliquiritigenin |
| 18 | 13.382 | C42H62O17 | 837.3922 (1.5) | 351.0577[2GlcA − H]− | 839.4033 (−3.8) | 663.3651[M + H − GlcA]+ | Licorice saponin G2 |
| 487.3369[M + H − 2GlcA]+ | |||||||
| 469.3370[M + H − 2GlcA − H2O]+ | |||||||
| 19 | 14.321 | C42H62O16 | 821.3959 (−0.1) | 351.0578[2GlcA − H]− | 823.4133 (−4.0) | 453.3361[M + H − 2GlcA − H2O]+ | Glycyrrhizin |
| 20 | 17.614 | C21H22O4 | 337.1458 (5.3) | 187.0720[M − H − 2CH3 − OCD]− | Licochalcone A | ||
| 21 | 18.034 | C12H14O2 | 191.1065 (−3.7) | 173.0897[M + H − H2O]+ | (Z)-ligustilide | ||
| 22 | 23.141 | C30H46O4 | 469.3343 (5.3) | 355.2655[M − H − CO2 − ME]− | 471.3472 (−0.4) | 407.3469[M + H − HCOOH − H2O]+ | Glycyrrhetic acid |
Glc: Glucose, ADE: Adenine, GA: Gallic acid, BZ: Benzoic Acid, 4-OH-BZ: 4-hydroxyl-benzoic acid, VP: 4-vinylphenol, Api: apiose, GlcA: glucuronic acid, OCD: 4-oxomethylidenecyclohexa-2,5-dienone, ME: 3-methylbut-1-ene.