| No | tR (min) | Name | Formula | Ion mode | Theoretical (m/z) | Measured (m/z) | ppm | Fragments ion (m/z) | Peak area | Reference |
| 1 | 0.64 | Arginine | C6H14N4O2 | [M + H]+ | 175.1190 | 175.1191 | 0.615 | 175.1191, 116.0709, 70.0659 | 9.26E + 08 | [22] | 2 | 0.72 | Histidine | C6H9N3O2 | [M + H]+ | 156.0768 | 156.0768 | 0.557 | 138.0549, 110.0717 | 3.29E + 07 | – | 3 | 0.72 | Quinic acid | C7H12O6 | [M − H]− | 191.0550 | 191.0552 | 1.180 | 127.0338, 85.0279 | 4.62E + 09 | [23] | 4 | 0.73 | Proline | C5H9NO2 | [M + H]+ | 116.0706 | 116.0710 | 2.971 | 70.0656 | 5.20E + 09 | [24] | 5 | 0.73 | Valine | C5H11NO2 | [M + H]+ | 118.0863 | 118.0866 | 3.090 | 100.1125, 72.0816 | 1.41E + 09 | [22] | 6 | 0.77 | Glutamic acid | C5H9NO4 | [M + H]+ | 148.0604 | 148.0605 | 0.241 | 148.0605, 130.0500, 102.0554, 84.0451 | 8.99E + 07 | [25] | 7 | 1.02 | Adenine | C5H5N5 | [M + H]+ | 136.0618 | 136.0619 | 0.869 | 119.0495, 91.0549 | 2.17E + 08 | [26] | 8 | 1.19 | Isoleucine | C6H13NO2 | [M + H]+ | 132.1019 | 132.1021 | 1.096 | 132.1021, 86.0971 | 4.87E + 08 | [25] | 9 | 1.24 | Tyrosine | C9H11NO3 | [M + H]+ | 182.0812 | 182.0813 | 0.935 | 165.0546, 136.0757, 123.0443 | 2.02E + 08 | [24] | 10 | 2.32 | Phenylalanine | C9H11NO2 | [M + H]+ | 166.0863 | 166.0864 | 0.872 | 120.0810, 107.0496 | 7.23E + 07 | [26] | 11 | 5.51 | Loganic acid | C16H24O10 | [M − H]− | 375.1286 | 375.1299 | 3.403 | 213.0763, 151.0752, 125.0594 | 3.35E + 08 | [23] | 12 | 5.61 | Neochlorogenic acid | C16H18O9 | [M − H]− | 353.0867 | 353.0882 | 4.139 | 191.0553, 179.0340, 135.0438 | 8.78E + 08 | [24] | 13 | 5.69 | Loganin | C17H26O10 | [M − H]− | 389.1442 | 389.1458 | 3.923 | 345.1195, 227.0565, 183.0655, 139.0388 | 6.16E + 04 | [27] | 14 | 5.84 | Forsythoside E | C20H30O12 | [M + H]+ | 463.1810 | 463.1809 | −0.265 | 155.0704, 137.0596 | 1.72E + 07 | [28] | 15 | 5.92 | Methyl cinnamate | C10H10O2 | [M + H]+ | 163.0754 | 163.0754 | 0.392 | 135.0442, 131.0493, 103.0547 | 1.69E + 07 | [25] | 16 | 7.10 | Sweroside | C16H22O9 | [M − H]− | 357.1180 | 357.1195 | 4.288 | 195.0661, 177.0545 | 5.87E + 05 | [29] | 17 | 7.31 | Chlorogenic acid | C16H18O9 | [M − H]− | 353.0867 | 353.0880 | 1.331 | 191.0553, 179.0431, 135.0438 | 1.38E + 09 | [30] | 18 | 7.80 | Secoxyloganin | C17H24O11 | [M + H]+ | 405.1391 | 405.1392 | 0.054 | 243.0862, 225.0757, 165.0547, 151.0390 | 1.72E + 08 | [23] | 19 | 7.80 | Scopoletin | C10H8O4 | [M + H]+ | 193.0495 | 193.0497 | 0.698 | 151.0396, 95.0497 | 8.68E + 07 | [31] | 20 | 7.97 | Glycitin | C22H22O10 | [M + H]+ | 447.1286 | 447.1285 | −0.142 | 285.0756, 270.0522, 242.0572 | 5.36E + 07 | [32] | 21 | 8.55 | Rutin | C27H30O16 | [M + H]+ | 611.1607 | 611.1605 | −0.329 | 465.1021, 303.0498 | 2.11E + 08 | [23] | 22 | 8.60 | Liquiritigenin | C15H12O4 | [M + H]+ | 257.0808 | 257.0806 | −1.032 | 147.0441, 137.0235, 119.0495 | 1.57E + 09 | [33] | 23 | 8.80 | Isoquercitrin | C21H20O12 | [M + H]+ | 465.1028 | 465.1029 | 0.403 | 303.1497 | 4.34E + 07 | [34] | 24 | 8.80 | Quercetin | C15H10O7 | [M + H]+ | 303.0499 | 303.0498 | −0.426 | 153.0183, 137.0234 | 2.02E + 07 | [34] | 25 | 8.85 | Cynaroside | C21H20O11 | [M + H]+ | 449.1078 | 449.1078 | −0.040 | 287.0549, 241.0501 | 9.26E + 07 | [23] | 26 | 8.93 | Genistin | C21H20O10 | [M + H]+ | 433.1129 | 433.1129 | 0.062 | 271.0598, 243.0652, 215.0702 | 8.08E + 07 | [32] | 27 | 9.13 | Isoschaftoside | C26H28O14 | [M − H]− | 563.1395 | 563.1411 | 2.802 | 383.0769, 353.0667, 297.0754 | 3.46E + 07 | — | 28 | 9.22 | (+)-Pinoresinol | C20H22O6 | [M + H]+ | 359.1489 | 359.1487 | −0.654 | 175.0755, 137.0598 | 2.20E + 07 | [35] | 29 | 9.23 | Pµlegone | C10H16O | [M + H]+ | 153.1274 | 153.1274 | 0.119 | 109.1016, 81.0706 | 2.98E + 07 | — | 30 | 9.43 | Daidzin | C21H20O9 | [M − H]− | 415.1024 | 415.1041 | 1.741 | 253.0506, 135.0074 | 3.76E + 06 | [32] | 31 | 9.70 | Hesperidin | C28H34O15 | [M + H]+ | 611.1970 | 611.1971 | 0.153 | 449.1436, 303.0860, 195.0288 | 1.64E + 08 | [24] | 32 | 9.83 | Forsythoside I | C29H36O15 | [M − H]− | 623.1970 | 623.1985 | 2.316 | 461.1655, 161.0233 | 2.53E + 09 | [28] | 33 | 10.00 | Liquiritin | C21H22O9 | [M − H]− | 417.1180 | 417.1195 | 3.527 | 255.0663, 135.0074, 119.0488 | 1.29E + 09 | [33] | 34 | 10.26 | Forsythoside A | C29H36O15 | [M − H]− | 623.1970 | 623.1985 | 2.316 | 461.1674, 161.0232 | 3.38E + 09 | [28] | 35 | 10.45 | Lonicerin | C27H30O15 | [M − H]− | 593.1501 | 593.1520 | 3.175 | 447.0936, 285.0406 | 3.51E + 07 | [23] | 36 | 10.51 | Ononin | C22H22O9 | [M + H]+ | 431.1337 | 431.1335 | −0.345 | 269.0806, 254.0572 | 2.98E + 08 | [36] | 37 | 10.60 | Calceolarioside B | C23H26O11 | [M − H]− | 477.1391 | 477.1407 | 3.253 | 161.0232, 133.0281 | 3.76E + 08 | [36] | 38 | 10.83 | Kaempferol-3-O-rutinoside | C27H30O15 | [M − H]− | 593.1501 | 593.1517 | 2.754 | 285.0407, 255.0298, 227.0345 | 3.70E + 07 | [23] | 39 | 10.91 | Daidzein | C15H10O4 | [M + H]+ | 255.0652 | 255.0650 | −0.766 | 227.0701, 199.0754, 137.0234 | 4.22E + 08 | [32] | 40 | 11.03 | Isochlorogenic acid B | C25H24O12 | [M − H]− | 515.1184 | 515.1180 | −0.704 | 353.0877, 191.0552, 179.0340, 173.0445, 135.0437 | 6.27E + 08 | [23] | 41 | 11.09 | Arctigenin | C21H24O6 | [M + H]+ | 373.1646 | 373.1642 | −0.924 | 237.1121, 137.0597 | 2.93E + 09 | [21] | 42 | 11.17 | Linarin | C28H32O14 | [M + H]+ | 593.1865 | 593.1863 | −0.341 | 447.1284, 285.0756, 270.0523, 242.0571 | 7.65E + 07 | — | 43 | 11.22 | Glycitein | C16H12O5 | [M + H]+ | 285.0758 | 285.0757 | −0.351 | 270.0522, 242.0573 | 1.10E + 08 | [32] | 44 | 11.23 | Isochlorogenic acid A | C25H24O12 | [M − H]− | 515.1184 | 515.1189 | 0.966 | 353.0881, 191.0554, 179.0341, 173.0445, 135.0438 | 4.17E + 08 | [23] | 45 | 11.46 | Azelaic acid | C9H16O4 | [M − H]− | 187.0965 | 187.0968 | 1.681 | 143.1061, 125.0958, 97.0643 | 2.03E + 08 | — | 46 | 11.76 | Isochlorogenic acid C | C25H24O12 | [M − H]− | 515.1184 | 515.1171 | −2.470 | 353.0869, 191.0557, 179.0340, 135.0439 | 8.75E + 08 | [23] | 47 | 11.79 | Ferµlic acid | C10H10O4 | [M − H]− | 193.0495 | 193.0499 | 2.045 | 178.0261, 161.0232, 133.0281 | 6.04E + 07 | [37] | 48 | 12.52 | Isoliquiritin | C21H22O9 | [M − H]− | 417.1180 | 417.1197 | 3.959 | 255.0661, 180.0054, 135.0074, 119.0487 | 2.29E + 08 | [33] | 49 | 12.67 | Genistein | C15H10O5 | [M + H]+ | 271.0601 | 271.0600 | −0.258 | 243.0649, 215.0704, 153.0183 | 7.06E + 07 | [32] | 50 | 13.04 | Phillyrin | C27H34O11 | [M + HCOO]− | 579.2072 | 579.2088 | 2.732 | 371.1496, 356.1265 | 1.03E + 09 | [21] | 51 | 13.32 | Arctiin | C27H34O11 | [M + HCOO]− | 579.2072 | 579.2087 | 2.525 | 371.1500, 356.1268 | 5.10E + 09 | [21] | 52 | 13.69 | Luteolin | C15H10O6 | [M − H]− | 285.0394 | 285.0406 | 4.194 | 151.0025, 133.0282, 107.0124 | 6.19E + 04 | [33] | 53 | 15.37 | Matairesinol | C20H22O6 | [M − H]− | 357.1332 | 357.1347 | 3.935 | 83.0122 | 2.13E + 08 | — |
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