Table 1.
UHPLC-HRMS data of constituents from African Mango seeds.
| Peak No | RT (min) | Formula | [M−H]− | Error (mmu) | UV (λmax, nm) | Main MS2~MS4 Product Ions | Tentative Identification |
|---|---|---|---|---|---|---|---|
| 1 | 1.81 | C12H22O11 | 341.1081 | −0.88 | 233 | 179(100), 161(20), 143(21), 131(7), 119(15), 113(17) | hexosyl-hexose |
| 2 | 1.87 | C6H8O7 | 191.0191 | −0.60 | N.D.b | 173(21), 111(100) | citric acid or its isomer |
| 3 | 2.15 | C20H18O14 | 481.0613 | −1.07 | 233 | 301(100), 275(12) | hexahydroxydiphenoyl (HHDP)-hexose |
| 4 | 3.28 | C34H24O22 | 783.0669 | −2.70 | N.D. | 765(3), 481(35), 301(100), 275(16) | di-HHDP-hexose |
| 5 | 4.9 | C34H24O22 | 783.0658 | −2.85 | N.D. | 765(3), 481(35), 301(100), 275(16) | di-HHDP-hexose |
| 6 | 5.64 | C34H24O22 | 783.0658 | −2.85 | N.D. | 481(35), 301(100), 275(16) | di-HHDP-hexose |
| 7 | 7.02 | C34H24O22 | 783.065 | −3.65 | 271 | 481(35), 301(100), 275(16) | di-HHDP-hexose |
| 8 | 8.16 | C34H24O22 | 783.0667 | −1.94 | 271 | 481(35), 301(100), 275(16) | di-HHDP-hexose |
| 9 | 9.16 | C21H32O10 | 443.1907 | −1.57 | 223, 275, 349 | 425(33), 375(56), 237(100), 219(67), 189(67), 161(56) | unknown |
| 10 | 10.66 | C18H18O8 | 361.0951 | 2.20 | 223, 271, 343 | 317(12), 293(3), 281(100), 237(27), | unknown |
| 11 | 11.33 | C33H24O22 | 771.0655 | −3.16 | 222, 281, 398 | 753(17), 481(100), 469(29), 379(6), 301(17), 289(27) | unknown ellagitannin |
| 12 | 11.89 | C33H24O22 | 771.0651 | −3.53 | 295 | 481(100), 469(75), 307(12), 301(29), 289(71), 263(25), | unknown ellagitannin |
| 13 | 15.35 | C18H28O9 | 387.1647 | −1.39 | 271, 349 | 370(12), 360(4), 343(6), 341(4), 207(100), 163(40) | unknown |
| 14 | 18.82 | C33H24O21 | 755.0698 | −3.91 | 255, 345 | 727(27), 453(89), 393(23), 301(51), 291(99), 247(100) | unknown ellagitannin |
| 15a | 21.51 | C14H6O8 | 300.9978 | −1.16 | 223, 253, 367 | 301(100), 300(14), 284(24), 257(59), 229(50), 185(22) | ellagic acid |
| 16 | 26.29 | C22H20O13 | 491.0817 | −1.444 | 222, 250, 358 | 476(19), 328(100), 313(9) MS3: 313(100) MS4: 298(100), 285(49) | di-O-methyl-ellagic acid hexoside |
| 17 a | 26.83 | C15H8O8 | 315.0135 | −1.09 | 222, 254, 354 | 300(100), MS3: 300(100), 283(16), 272(64), 271(31), 244(98), 243(31), 228(36), 216(20), 200(20) | MS3[491N.D.>328]: 313(100) methyl-ellagic acid |
| 18 | 27.61 | C15H8O8 | 315.0136 | −1.00 | 220, 250, 360 | 300(100), 272(13), 244(21), 200(10) | methyl-ellagic acid |
| 19 | 28.26 | C34H28O20 | 755.1072 | −2.88 | 220, 251, 364 | 711(15), 603(4), 453(7), 301(100), 284(3), 275(6) | galloyl-HHDP-ellagic acid |
| 20 | 28.94 | C34H28O20 | 755.1063 | −3.80 | N.D. | 711(9), 453(6), 301(100), 291(5), 275(10), 247(5) | galloyl-HHDP-ellagic acid |
| 21 | 29.38 | C25H16O15 | 555.0732 | 1.51 | 220, 250, 358 | 475(100) MS3: 460(23), 328(100), 313(7) MS4 313(100) | di-O-methyl-ellagic acid deoxyhexide with an 80 amu group |
| 22 a | 29.91 | C21H20O11 | 447.0919 | −1.43 | N.D. | 357(10), 327(19), 301(8), 285(75), 284(100), 255(15) | kaemferol 3-O-glucoside |
| 23 a | 30.34 | C21H20O11 | 447.0917 | −1.55 | N.D. | 301(100), 300(40) | quercetin 3-O-rhamnoside |
| 24 | 30.73 | C21H18O12 | 461.0708 | −1.78 | 220, 253, 349 | 315(100), MS3: 300(100), MS4: 300(100), 284(13), 272(17), 271(33), 244(33), 243(10), 228(20), 216(27), 200(17), | mono-O-methyl ellagic acid deoxyhexoside |
| 25 | 32.47 | C16H10O8 | 329.0290 | −1.30 | 220, 247, 363 | 314(100) MS3: 299 (100) MS4: 271(100) | di-O-methyl ellagic acid |
| 26 | 33.08 | C21H18O12 | 461.0712 | −1.30 | 220, 248, 364 | 446(17), 328(100), MS3 313(100) MS4 298(100), 285(43) | di-O-methyl ellagic acid-O-pentoside |
| 27 | 33.7 | C34H42O20 | 769.2166 | −3.06 | 220, 250, 349 | 607(100), 477(23), 315(14) | rhamnetin or isorhamnetin with one hexose group and one rhamnosyl-rhamnose |
| 28 | 35.91 | C41H30O24 | 905.1021 | −3.32 | N.D. | 603(55), 301(100) | di-HHDP-ellagic acid |
| 29 | 36.45 | C22H20O12 | 475.0867 | −1.47 | N.D. | 460(100), 329(8), 328(16), 327(9), 313(15), 299(7) | di-O-methyl-ellagic acid deoxyhexoside |
| 30 | 36.9 | C22H20O12 | 475.0869 | −1.29 | N.D. | 460(25), 328(100), 313(6), 313(100), 298(100),285(45) | di-O-methyl-ellagic acid deoxyhexoside |
| 31 | 37.85 | C30H26O17 | 657.1069 | −2.82 | 220, 244, 364 | 491(48), 329(100), 315(14), 314(31), 313(36), 299(13), | di-O-methyl-ellagic acid with one 166 amu group and one hexose goup |
| 32 | 39.57 | C16H10O8 | 329.0289 | −0.84 | N.D. | 314(100) | di-O-methyl-ellagic acid |
| 33 | 41.52 | C16H10O8 | 329.0292 | −0.57 | 223, 246, 375 | 314(100) MS3: 299(100,) MS4: 271(100) | di-O-methyl-ellagic acid |
| 34 | 43.01 | C34H42O20 | 769.217 | −2.14 | 239 | 697(3), 315(100), 300(25), 271(25), 255(5) | galloyl-HHDP-methyl-ellagic acid |
| 35 | 44.96 | C17H12O8 | 343.0449 | −0.50 | 222, 246, 362 | 328(100) 313(100) 298(100, MS4), 285(38, MS4) | tri-O-methyl-ellagic acid |
| 36 | 45.78 | C22H22O11 | 461.1074 | −0.97 | 220, 236, 341 | 315(100), 300(5) | mono-O-methyl-ellagic acid rhamnoside |
| 37 | 46.94 | C35H28O10 | 607.1649 | −3.95 | 220, 236, 347 | 315(100), 300(17), MS3: 300 (100), MS4: 271 (100), 255 (55) | mono-O-methyl-ellagic acid rhamnosyl- rhamnoside |
| 38 | 47.76 | C30H26O17 | 657.1071 | −2.66 | N.D.- | 343(100), 329(11), 328(28), 313(48), 285(3) | galloyl-tri-O-methyl-ellagic acid hexoside |
| 39 a | 49.75 | C16H12O6 | 299.0549 | −1.18 | N.D. | 284(100), 271(16), 227(5) | diosmetin |
| 40 | 53.3 | C17H12O8 | 343.0449 | −1.05 | 220, 236, 375 | 328(100) 313(100) 298(100), 285(40) | tri-O-methyl-ellagic acid |
a
In comparison with reference standards.
b
N.D.- Not Detected or very weak absorpance.