| No. | Ion form | t R (min) | Measured value | MS/MS | Formula | Identification | Error (ppm) | Type | Form (prototypes/metabolites) |
| 1 | [M + H]+ | 1.08 | 175.1185 | 158.0920, 130.0972, 116.0705 | C6H14N4O2 | Arginine | −2.28 | Amino acids | Prototypes | 2 | [M − H]− | 1.22 | 191.0191 | 129.0181, 111.0075 | C6H8O7 | Citric acid | −3.14 | Carboxylic acids | Prototypes | 3 | [M − H]− | 1.49 | 191.0555 | 173.0081, 121.6582, 111.0075 | C7H12O6 | Quinic acid | −3.14 | Phenols | Prototypes | 4 | [M + H]+ | 2.38 | 127.0389 | 109.0285 | C6H6O3 | 5-Hydroxymethyl-2-furaldehyde | −1.57 | Furans | Metabolites | 5 | [M + H]+ | 5.03 | 148.1118 | 133.0885 | C10H13N | 5,6,7,8-Tetrahydro-4-methylquinoline | −2.03 | Alkaloids | Metabolites | 6 | [M − H]− | 5.41 | 353.0876 | 191.0345 | C16H18O9 | Chlorogenic acid | −0.57 | Carboxylic acids | Prototypes | 7 | [M + H]+ | 5.94 | 417.1172 | 399.1086, 381.0962, 351.0851 | C21H20O9 | Puerarin | −1.92 | Flavonoids | Prototypes | 8 | [M − H]− | 6.99 | 549.1628 | 255.0664, 135.0077 | C26H30O13 | Celery glycyrrhizin | 2.73 | Flavonoids | Prototypes | 9 | [M − H]− | 7.07 | 417.119 | 255.0662, 135.0076 | C21H22O9 | Liquiritin | −0.24 | Flavonoids | Prototypes | 10 | [M − H]− | 7.38 | 579.1721 | 459.1163, 271.0614, 151.0027 | C27H32O14 | Naringin | 0.35 | Glycosides | Prototypes | 11 | [M + H]+ | 7.5 | 453.1744 | 291.1217, 273.1113, 259.0956, 243.0646, 219.0645, 205.0493 | C22H28O10 | 5-O-Methylvisammioside | −2.43 | Glycosides | Prototypes | 12 | [M + H]+ | 7.51 | 319.1147 | 301.1055, 283.0996, 255.1003, 227.1056, 164.0462 | C17H18O7 | Aquilarone B | −9.09 | Chromones | Prototypes | 13 | [M − H]− | 7.7 | 609.1824 | 301.0718 | C28H34O15 | Hesperidin | −0.16 | Glycosides | Prototypes | 14 | [M − H]− | 7.74 | 289.0713 | 245.1544 | C15H14O6 | Catechin | −1.73 | Flavonoids | Prototypes | 15 | [M + H]+ | 8.28 | 271.0596 | 253.1943, 243.2106 | C15H10O5 | 7,8,4′-Trihydroxyisoflavone | −1.84 | Flavonoids | Metabolites | 16 | [M + H]+ | 8.28 | 271.0596 | 253.0493, 243.0549 | C15H10O5 | 7,8,4′-Trihydroxyisoflavone | −1.84 | Flavonoids | Metabolites | 17 | [M + H]+ | 8.56 | 255.0645 | 237.0537, 227.0698, 199.0749 | C15H10O4 | Daidzein | −2.74 | Flavonoids | Prototypes | 18 | [M − H]− | 8.57 | 253.0506 | 225.0547 | C15H10O4 | Chrysophanic acid | 0.40 | Quinones | Prototypes | 19 | [M + H]+ | 8.89 | 461.1069 | 285.0749, 270.0515 | C22H20O11 | Wogonoside | −1.95 | Flavonoids | Prototypes | 20 | [M + H]+ | 9.5 | 271.0596 | 253.0493, 241.0493, 225.0544, 197.0956, 169.0646 | C15H10O5 | Baicalein | −1.84 | Flavonoids | Prototypes | 21 | [M + H]+ | 9.82 | 285.0748 | 270.0520, 267.0643, 257.0804 | C16H12O5 | 3′-Methoxyldaidzein | −3.16 | Flavonoids | Metabolites | 22 | [M + H]+ | 10.08 | 233.1523 | 215.1419, 187.1477, 159.1165, 145.1009, 131.0854 | C15H20O2 | Costunolide | −5.58 | Terpenes | Prototypes | 23 | [M − H]− | 10.47 | 821.3971 | 351.0568 | C42H62O16 | Glycyrrhizic acid | 0.73 | Saponosides | Prototypes | 24 | [M − H]− | 11.42 | 283.0247 | 239.0346, 183.0443 | C15H8O6 | Rheinic acid | −0.35 | Quinones | Prototypes | 25 | [M + H]+ | 11.44 | 285.0748 | 270.0514 | C16H12O5 | Wogonin | −3.16 | Flavonoids | Prototypes | 26 | [M − H]− | 12.44 | 371.1132 | 193.0500, 177.0916 | C20H20O7 | Glycosmisic acid | −1.08 | Phenylpropanoids | Prototypes | 27 | [M + H]+ | 13.97 | 225.1118 | 207.1012, 151.0389 | C12H16O4 | Chuanxionglide II | −1.33 | Ester | Prototypes |
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