Table 1.
Chemical profiling analysis results of A. argyi ethanol extract
| No | Name | Formula | Mass (Da) | Expected | Adduct | Found at | Error | MS/MS product ions | Identified with |
|---|---|---|---|---|---|---|---|---|---|
| RT (min) | mass (Da) | (ppm) | |||||||
| 1 | Quinic acid | C7H12O6 | 192.0634 | 0.69 | [M-H] − | 191.0564 | 1.4 | 85.0319, 127.0407, 93.0362, 173.0461, 171.0303 | # |
| 2 | Neochlorogenic acid | C16H18O9 | 354.0951 | 3.42 | [M + H] + | 355.1029 | 0.9 | 163.0394, 145.0285, 135.0443, 117.0339 | † |
| [M-H] − | 353.0873 | -1.4 | 191.0558, 179.0348, 135.0453, 173.0448, 161.0240,155.0346, 134.0369 | † | |||||
| 3 | Chlorogenic acid | C16H18O9 | 354.0951 | 4.51 | [M + H] + | 355.1030 | 0.7 | 163.0394, 145.0293, 135.0450 | † |
| [M-H] − | 353.0881 | 0.8 | 191.0562, 161.0247, 179.0355, 173.0459, 85.0309 | † | |||||
| 4 | Cryptochlorogenic acid | C16H18O9 | 354.0951 | 4.73 | [M + H] + | 355.1028 | 0.5 | 163.0395, 145.0290, 135.0447, 117.0344 | † |
| [M-H] − | 353.0872 | 0.5 | 173.0455. 179.0349, 131.0560, 135.0454, 137.0240, 155.0348, 93.0357 | † | |||||
| 5 | Esculetin | C9H6O4 | 178.0266 | 4.88 | [M + H] + | 179.0339 | -1.1 | 123.0438, 133.0264, 77.0384, 151.0349, 135.0430 | † |
| [M-H] − | 177.0194 | 0.2 | 133.0291, 105.0352, 149.0242, 89.0410 | † | |||||
| 6 | Caffeic acid | C9H8O4 | 180.0423 | 4.99 | [M + H] + | 181.0491 | -2.3 | 169.0388, 135.0440, 145.0287, 117.0342, 89.0402, 107.0494 | † |
| [M-H] − | 179.0351 | 0.7 | 135.0453, 134.0376, 136.0483, 107.0506, 117.0352, 89.0416, 79.0569 | † | |||||
| 7 | 1,5-dicaffeoylquinicacid | C25H24O12 | 516.1268 | 5.70 | [M + H] + | 517.1341 | 0.2 | 163.0389, 499.1224, 337.0915,145.0283,135.0442 | † |
| [M-H] − | 515.1195 | 0.0 | 353.0879, 179.0343, 191.0558, 335.0763, 135.0447 | † | |||||
| 8 | Apigenin-C-hexoside-C-pentoside (tentatively Schaftoside or isoschaftoside) | C26H28O14 | 564.1479 | 6.19 | [M + H] + | 565.1550 | -0.4 | 547.1464, 427.1039, 511.1249, 529.1358, 409.0933, 379.0828 | # |
| [M-H] − | 563.1411 | 0.8 | 353.0682, 383.0787, 443.1005, 473.1114, 503.1221, 545.1333 | # | |||||
| 9 | scopoletin | C10H8O4 | 192.0423 | 6.90 | [M + H] + | 193.0495 | -0.8 | 178.0253, 133.0380, 137.0591, 150.0311, 122.0359 | † |
| [M-H] − | 191.0352 | 0.9 | 176.0114, 148.0164, 104.0274, 120.0215 | † | |||||
| 10 | Rutin | C27H30O16 | 610.1534 | 6.98 | [M + H] + | 611.1604 | -0.4 | 303.0510, 465.1046, 147.0651, 129.0548 | # |
| [M-H] − | 609.1464 | 0.4 | 300.0265, 301.0342, 271.0224, 255.0328, 131.0039 | # | |||||
| 11 | Vitexin | C21H20O10 | 432.1057 | 7.06 | [M + H] + | 433.1126 | -0.7 | 313.0716, 283.0606, 337.0716, 397.0932,415.1026, 367.0819, 379.0819 | # |
| [M-H] − | 431.0980 | -0.8 | 311.0561, 283.0614, 341.0668, 353.0693 | # | |||||
| 12 | Isoquercitrin | C21H20O12 | 464.0955 | 7.26 | [M + H] + | 465.1028 | -1.7 | 303.0506, 145.0498, 85.0300 | † |
| [M-H] − | 463.0880 | -0.5 | 300.0274, 301.0354, 271.0251, 255.0298,151.0034 | † | |||||
| 13 | Luteolin-7-O-B-D-glucoside (Cynaroside) | C21H20O11 | 448.1006 | 7.32 | [M + H] + | 449.1095 | -0.9 | 449.1095,287.0559 | # |
| [M-H] − | 447.0934 | 0.3 | 285.0408, 284.0331, 327.0515 | # | |||||
| 14 | 3,4-dicaffeoylquinicacid | C25H24O12 | 516.1268 | 7.70 | [M + H] + | 517.1338 | -0.5 | 163.0391,499.1236, 319.0822, 227.0922, 145.0284,135.0443, 355.1038 | † |
| [M-H] − | 515.1197 | 0.3 | 353.0882, 173.0457, 179.0351, 131.0563, 335.0785,191.0563,335.0785 | † | |||||
| 15 | 1,3-dicaffeoylquinicacid | C25H24O12 | 516.1268 | 7.86 | [M + H] + | 517.1338 | -0.4 | 163.0393, 499.1237, 337.0929, 145.0285 | † |
| [M-H] − | 515.1195 | 0.9 | 353.0880, 191.0562, 179.0352, 161.0250, 335.0782, 135.0459 | † | |||||
| 16 | Isorhamnetin-3-O-galactorhamnoside | C28H32O16 | 624.1690 | 7.90 | [M + H] + | 625.1763 | 0.4 | 317.0659, 479.1174 | # |
| 17 | 3,5-dicaffeoylquinicacid | C25H24O12 | 516.1268 | 7.96 | [M + H] + | 517.1331 | -1.8 | 163.0388, 499.1215, 319.0818, 337.0812, 135.0437, 145.0280, 355.1084 | † |
| [M-H] − | 515.1196 | 0.9 | 353.0887, 191.0563, 179.0350, 173.0466, 135.0453, 335.0779 | † | |||||
| 18 | Genistein glucoside | C21H20O10 | 432.1057 | 8.24 | [M + H] + | 433.1127 | -0.5 | 271.0612, 433.1142 | # |
| [M-H] − | 431.0981 | -0.7 | 268.0371, 269.0455, 267.0357, 311.0559, 240.0418 | # | |||||
| 19 | 4,5-dicaffeoylquinicacid | C25H24O12 | 516.1268 | 8.41 | [M + H] + | 517.1341 | 0.3 | 163.0390, 499.1225, 337.0923, 145.0289, 319.0823, 135.0444 | † |
| [M-H] − | 515.1195 | -0.4 | 353.0883, 173.0458, 179.0355, 191.0561, 203.0357, 135.0457 | † | |||||
| 20 | Scutellarein | C15H10O6 | 286.0477 | 9.32 | [M + H] + | 287.0553 | 1.0 | 287.0553 | |
| [M-H] − | 285.0406 | 0.6 | 117.0375, 165.0164, 239.0345 | # | |||||
| 21 | Luteolin | C15H10O6 | 286.0477 | 10.37 | [M + H] + | 287.0553 | 0.9 | 153.0184, 241.0487, 137.0217, 135.0435, 161.0234 | # |
| [M-H] − | 285.0407 | 0.9 | 133.0297, 151.0039, 175.0400, 199.0399, 217.0506, 241.0511 | # | |||||
| 22 | Quercetin | C15H10O7 | 302.0427 | 10.39 | [M + H] + | 303.0500 | 0.3 | 303.0517 | † |
| [M-H] − | 301.0353 | -0.4 | 151.0032, 178.9977, 121.0303, 273.0414, 107.0148 | † | |||||
| 23 | 3-methyl quercetin | C16H12O7 | 316.0583 | 11.01 | [M + H] + | 317.0657 | 0.5 | 302.0423, 301.0338, 274.0469, 285.0406, 228.0425 | † |
| [M-H] − | 315.0511 | 0.1 | 300.0276, 271.0246, 255.0289, 243.0296 | † | |||||
| 24 | apigenin | C15H10O5 | 270.0528 | 11.78 | [M + H] + | 271.0602 | 0.5 | 153.0175, 119.0497, 91.0562, 188.9171 | # |
| [M-H] − | 269.0455 | -0.2 | 151.0038, 117.0353, 149.0241, 225.0558 | # | |||||
| 25 | arteannuin B | C15H20O3 | 248.1412 | 11.89 | [M + H] + | 249.1484 | -0.5 | 231.1376, 185.1319, 143.0848, 119.0857. 203.1420, 105.0708 | Ref.[30] |
| 26 | Jaceosidin | C17H14O7 | 330.0740 | 12.47 | [M + H] + | 331.0803 | -0.1 | 316.0571, 301.0337, 273.0393, 245.0438, 168.0056 | Ref.[31, 32] |
| 27 | Eupatilin | C18H16O7 | 344.0896 | 14.61 | [M + H] + | 345.0964 | 1.0 | 330.0737, 329.0778,168.0056, 315.0503 | † |
| [M-H] − | 343.0825 | 0.5 | 328.0597, 313.0356, 298.0127, 285.0410, 270.0176 | † | |||||
| 28 | Quercetagetin 3,6,7,3'-tetramethyl ether | C19H18O8 | 374.1002 | 15.54 | [M + H] + | 375.1074 | -0.1 | 360.0845, 359.0765, 342.0738,345.0609, 317.0659, 311.0553, 299.0548 | # |
| [M-H] − | 373.0931 | 0.5 | 358.0703, 343.0466, 300.0580, 315.0515, 328.0230, 285.0043 | # |
# In-house ms/ms library and online database; such as GNPS, MASS bank or Metlin
† Reference standard