Table 1.
Compounds identified in ME of AMF by UPLC-Q-TOF MS analysis.
| No. | tR (min) | Molecular Formula | [M + H]+ (Error, ppm) | Fragment Ions in Positive (+) Ion Mode | [M − H]− (Error, ppm) | Fragment Ions in Negative (−) Ion Mode | λmax (nm) | Identity |
|---|---|---|---|---|---|---|---|---|
| 1 | 0.675 | C8H8O4 | 169.0497 [M + H]+ (−2.4) | 167.0339 [M − H]− (−3.0) | 290 | vanillic acid a | ||
| 2 | 1.371 | C7H6O4 | 153.0192 [M − H]− (2.6) | 109.0335 [M − H − CO2]− | 310 | protochatechuic acid a | ||
| 3 | 2.424 | C9H8O4 | 181.0503 [M + H]+ (3.3) | 179.0346 [M − H]− (1.1) | 135.0482 [M − H − CO2]− | 240, 320 | caffeic acid a | |
| 4 | 3.223 | 927.1859 [M + H]+ | 765.1391 [M + H − 162]+ 603.0392 [M + H − 162 − 162]+ 465.1044, 301.0693 |
925.1574 | 625.1326, 461.1058, 299.0533 | Unidentified-O-hexoside-hexoside | ||
| 5 | 3.585 | 481.0921 [M + H]+ | 319.0419 [M + H − 162]+ 303.0485 |
479.0791 [M − H]− | Unidentified-O-hexoside | |||
| 6 | 3.766 | C26H28O16 | 597.1466 [M + H]+ (1.7) | 465.1012 [M + H − 132]+ 303.0500 [M + H − 132 − 162]+ |
595.1283 [M − H]− (−2.7) | 255, 352 | quercetin-O-hexoside -pentoside | |
| 7 | 4.011 | C27H30O16 | 611.1594 [M + H]+ (−2.9) | 465.0987 [M + H − rha]+ 303.0524 [M + H − glc − rha]+ |
609.1438 [M − H]− (−3.0) | 255, 352 | rutin a | |
| 8 | 4.207 | C26H28O16 | 597.1456 [M + H]+ (0.0) | 465.0993 [M + H − 132]+ 303.0482 [M + H − 162 − 132]+ 209.1519, 191.1408 |
595.1277 [M − H]− (−3.7) | 254, 351 | quercetin-O-hexoside -pentoside | |
| 9 | 4.310 | C10H10O4 | 193.0515 [M − H]− (4.1) | 178.0311 [M − H − CH3]− 134.0392 [M − H − CO2 − CH3]− |
320 | ferulic acid a | ||
| 10 | 4.462 | C22H22O10 | 447.1312 [M + H]+ (4.7) | 285.0738 [M + H − glc]+ | 260, 290 | calycosin-7-O-β-d-glucoside a | ||
| 11 | 4.614 | C21H20O12 | 465.1029 [M + H]+ (−0.9) | 303.0492 [M + H − gal]+ 287.0528 |
463.0806 [M − H]− (−3.2) | 256, 352 | hyperoside a | |
| 12 | 4.780 | C21H20O12 | 465.1020 [M + H]+ (−2.8) | 303.0477 [M + H − glc]+ | 463.0867 [M − H]− (−2.2) | 301.0321 [M − H − glc]− | 255, 352 | isoquercitrin a |
| 13 | 5.020 | C28H32O16 | 625.1775 [M + H]+ (1.0) | 647.1636 [M + Na]+ 479.1188 [M + H − rha]+ 317.0630 [M + H − glc − rha]+ 303.0475, 197.1146 |
623.1603 [M − H]− (−1.4) | 609.1362 [M − CH3]− 463.0808 [M − CH3 − rha]− |
isorhamnetin 3-O-rutinoside | |
| 14 | 5.324 | 941.1999 [M + H]+ | 779.1476 [M + H − 162]+; 617.1019 [M + H − 162 − 162]+ 697.5236, 479.1232, 317.0638, 303.0507 |
isorhamnetin-O-hexoside-hexoside derivative | ||||
| 15 | 5.427 | C24H22O15 | 551.1027 [M + H]+ (−1.8) | 303.0479, 287.0526, 273.0385 | 549.0860 [M − H]− (−3.6) | 505.0948 [M − H − CO2]− 301.0316 |
255, 352 | quercetin-O-malonyl-hexoside |
| 16 | 5.862 | C21H20O11 | 449.1079 [M + H]+ (−1.1) | 287.0550 [M + H − glc]+, 229.0483 | 447.0943 [M − H]− (3.1) | 285.0388 [M − H − glc]− | 265, 346 | astragalin a |
| 17 | 6.152 | C22H22O12 | 479.1201 [M + H]+ (2.3) | 317.0593 [M + H − glc]+ | 477.1026 [M − H]− (−1.5) | 315.0468 [M − H − glc]− | 254, 352 | isorhamnetin-3-O-β-d-glucoside a |
| 18 | 6.304 | 679.5200 [M + H]+ | 701.4979 [M + Na]+ 566.4278, 453.3440, 317.0627, 303.0491, 287.0552, 273.0742 |
677.4871 [M − H]− | 723.4912 [M + HCOO]− 477.0983 |
Unidentified | ||
| 19 | 6.740 | 535.1082 [M + H]+ | 557.0948 [M + Na]+ 517.0905 [M + H − H2O]+ 462.3415 |
533.0818 [M − H]− | 489.0993 [M − H − CO2]− 285.0410 |
265, 344 | flavonoid | |
| 20 | 7.117 | 792.5888 [M + H]+ | 814.5846 [M + Na]+, 679.5115, 565.1169, 396.7961, 317.0635 | 790.5735 [M − H]− | 836.5712 [M + HCOO]− 519.1112, 315.0487 |
254, 354 | flavonoid | |
| 21 | 7.254 | C22H22O11 | 463.1234 [M + H]+ (−1.3) | 301.0672 [M + H − glc]+ 286.1731 [M + H − glc − CH3]+ |
461.1041 [M − H]− (−2.8) | 299.0568 [M − H − glc]− | 238, 266, 332 | pratensein-7-O-β-d-glucoside |
| 22 | 7.371 | C33H40O21 | 773.2129 [M + H]+ (−1.4) | 795.1703 [M + Na]+ 611.6411 [M + H − 162]+ 465.1052 [M + H − 162 − 146]+ 303.0500 [M + H − 162 − 146 − 162]+ |
771.1979W [M − H]− (−0.6) | 254, 356 | quercetin-O-rutinoside-hexoside | |
| 23 | 7.812 | 905.6908 [M + H]+ | 927.6686 [M + Na]+, 679.5251, 566.4298, 453.3409, 341.2460 | 903.6592 [M − H]− | 949.6523 [M + HCOO]− 813.4478, 519.1101, 343.2118 |
Unidentified | ||
| 24 | 8.370 | 1018.7797 [M + H]+ | 1040.7581 [M + Na]+ 509.8839, 341.2454 288.1595 |
1062.7168, 741.1525 623.1522, 515.2469 343.2078 |
Unidentified | |||
| 25 | 8.929 | C15H10O7 | 303.0501 [M + H]+ (−1.3) | 285.0747 [M + H − H2O]+ | 301.0347 [M − H]− (−0.3) | 283.0600 [M − H − H2O]− | 254, 366 | quercetin a |
| 26 | 9.061 | C16H12O5 | 285.0756 [M + H]+ (−2.5) | 270.0500 [M + H − CH3]+ | 250, 190 | calycosin a | ||
| 27 | 9.328 | C22H22O12 | 479.1185 [M + H]+ (−1.0) | 317.0656 [M + H − 162]+ 299.0548, 183.0756, 163.0363 |
477.1028 [M − H]− (−1.0) | 315.0489 [M − H − 162]− | 258, 350 | isorhamnetin-O-hexoside |
| 28 | 9.380 | C23H26O10 | 463.1592 [M + H]+ (−2.6) | 301.0672 [M + H − glc]+ | 256, 354 | (−)-methylinissolin-3-O-β-d-glucoside a | ||
| 29 | 9.857 | 565.1182 [M + H]+ | 419.3312 (146) 317.0627, 243.0627 |
563.0993 [M − H]− | 519.1140 [M − H − CO2]− | 255, 353 | Unidentified-O-rhamnoside | |
| 30 | 10.186 | C31H34O18 | 695.1833 [M + H]+ (1.4) | 717.1677 [M + Na]+ 549.1226 [M + H − 146]+ 463.1245 [M + H − 146 − 86]+, 301.0694 [M + H − 146 − 86 − 162]+ |
693.1659 [M − H]− (1.2) | 649.1680 [M − H − CO2]− 461.1049 [M − H − 146 − 86]− |
266, 347 | rhamnocitrin-O-malonyl-glucoside-rhamnoside |
| 31 | 10.438 | C22H22O11 | 463.1233 [M + H]+ (−1.5) | 485.1034 [M + Na]+ 301.0672 [M + H − 162]+ |
461.1075 [M − H]− (−2.0) | 299.0542 [M − H − glc]− | 266, 347 | rhamnocitrin-O-hexoside |
| 32 | 10.678 | 633.3999 [M + H]+ | 655.1724 [M + Na]+ 615.3941 [M + H − H2O]+; 453.3354 [M + H − 162 − H2O]+ 597.3831, 435.3251, 301.0700 |
Unidentified-O-hexoside | ||||
| 33 | 10.947 | C15H10O6 | 287.0549 [M + H]+ (−2.4) | 285.0395 [M − H]− (−1.4) | kaempferol a | |||
| 34 | 11.018 | C25H24O14 | 549.1242 [M+H]+ (−0.4) | 301.0688 [M + H − 162 − 86]+ 167.0326 |
547.1067 [M − H]− (−3.8) | 503.1147 [M − H − CO2]− 299.0634 [M − H − 162 − 86]− |
266, 347 | rhamnocitrin-O-malonyl-hexoside |
| 35 | 11.229 | C25H28O11 | 505.1710 [M + H]+ (0.0) | 301.0688 [M + H − glc − 42]+ 286.0468, 167.0296 |
503.1541 [M − H]− (−2.4) | 265, 346 | 9,10-diMP-3-O-acetyl-glucoside | |
| 36 | 11.295 | C16H12O7 | 317.0658 [M + H]+ (−0.9) | 287.0431 | 315.0609 [M − H]− (1.3) | 300.0350 | isorhamnetin | |
| 37 | 11.520 | 797.4355 [M + H]+ | 819.4246 [M + Na]+ 647.3790, 629.3679, 453.3352, 301.0690 |
795.4099 [M − H]− | 699.4210 | Unidentified-O-penoside | ||
| 38 | 11.643 | C43H70O15 | 827.4764 [M + H]+ (−3.5) | 849.4391 [M + Na]+ 647.3793 [M + H − glc]+ 629.3701 [M + H − glc − H2O]+ |
825.4608 [M − H]− (−3.4) | 697.4040 327.2169 |
isoastragaloside II a | |
| 39 | 11.765 | 437.3441 [M + H]+ | 455.3521 [M + Na]+ 419.3271, 401.3217, 301.0702 |
Unidentified | ||||
| 40 | 12.490 | 637.4607 [M + H]+ | 659.4114 [M + Na]+ 601.4108, 421.3460, 249.1829 |
635.4064 [M − H]− | 681.4106 [M + HCOO]− 329.2305 |
Unidentified | ||
| 41 | 12.701 | 795.4209 [M + H]+ | 817.4014 [M + Na]+ 627.3550, 609.3422, 469.3301, 451.3196, 343.1530, 311.2187 253.2164, 217.1928 |
793.3873 [M − H]− | 287.2206 | Unidentified | ||
| 42 | 12.818 | 825.4285 [M + H]+ | 847.4200 [M + Na]+ 627.3531, 609.3378, 469.3327, 317.0642 |
823.3981 [M − H]− | 677.3810 [M − H − 146]− 631.3703, 315.0492 |
Unidentified-O-rhamnoside | ||
| 43 | 13.181 | 695 [M + H]+ | 717.4201 [M + Na]+ 659.4115, 497.3633, 479.3441 |
693.4111 [M − H]− | 739.4180 [M + HCOO]− | Unidentified | ||
| 44 | 13.558 | 635 [M + H]+ | 657 [M + Na]+ 617.4112, 599.3976, 437.3422, 419.3292, 401.3216 |
633.3881 [M − H]− | 679.3937 [M + HCOO]− | Unidentified | ||
| 45 | 13.710 | 819.3751 [M + H]+ | 837.3528 [M + Na]+ 798.4721, 745.4219, 727.4098, 685.3970, 667.3876, 497.3634 |
Unidentified | ||||
| 46 | 13.906 | 957.5087 [M + H]+ | 979.4908 [M + Na]+ 811.4536 [M + H − 146]+ |
Unidentified-O-rhamnoside | ||||
| 47 | 14.130 | C46H72O18 | 913.4787 [M + H]+ (−1.1) | 935.5103 [M + Na]+ 895.5112 [M + H − H2O]+ |
911.4661 [M − H]− (2.3) | malonylastragaloside II isomer | ||
| 48 | 14.160 | C48H78O18 | 943.5286 [M + H]+ (2.1) | 965.5129 [M + Na]+ 797.4725 [M + H − rha]+ 635.4149 [M + H − glc − rha]+ 617.4098 [M + H − glc − rha − H2O]+ 599.3946 [M + H − glc − rha − 2H2O]+ 441.3738, 423.3643, 405.3457, 203.1721 |
941.5108 [M − H]− (−0.2) | soyasaponin I a | ||
| 49 | 14.327 | C16H12O6 | 301.0706 [M + H]+ (−2.0) | 299.0549 [M − H]− (−2.3) | 284.0317 [M − H − CH3]− | 228 | rhamnocitrin a | |
| 50 | 16.908 | 781.4708 [M + H]+ | 803.4598 [M + Na]+ 763.4578 [M + H − H2O]+ 601.4130 [M + H − 162 − 18]+ |
779.4440 [M − H]− | Unidentified-O-hexoside | |||
| 51 | 17.707 | 619.4214 [M + H]+ | 641.4061 [M + Na]+ 601.4132 [M + H − H2O]+ 583.3962 [M + H − 2H2O]+ 439.3566 [M + H − 162 − H2O]+; 421.343 [M + H − 162 − 2H2O]+ 403.3362 |
617.3951 [M − H]− | 663.3966 [M + HCOO]− 265.1462 |
Unidentified-O-hexoside |
a Compared with standard compound.