Formula [M-H]− | Theoretical mass | Experimental mass [M – H]−m/z | Δm (ppm) | MS/MS fragments m/z | Compound identification | HEEP HEEA | EA EP |
---|---|---|---|---|---|---|---|
C7H5O5 | 169,0142 | 169,0148 | −1,49 | 151,125 | gallic acid | HEEP | Ep |
C7H10O6 | 191,0561 | 191,0561 | 0,06 | 173,134 | quinic acid | HEEA | Ea |
C7H11O6 | 197,0458 | 197,0461 | −1,28 | 169, 140, 124 | syringic acid | HEEP | Ep |
C14H5O8 | 300,9990 | 300,9996 | −1,69 | 284, 257, 229, 185 | ellagic acid | HEEP HEEA | Ep |
C13H15O10 | 331,0671 | 331,0670 | −0,39 | 271, 211, 169 | monogalloyl-glucose | HEEP HEEA | Ep |
C15H20O10 | 359,0984 | 359,0979 | 1,31 | 271,169 | Glycosyringic acid | HEEP | Ep |
C17H19O9 | 367,1035 | 367,1050 | 0,29 | 326,193,173,134 | 3-Feruloylquinic acid | HEEA | |
C19H13O12 | 433,0412 | 433,0423 | −2,11 | 300,169, 125 | Ellagic acid xyloside | HEEP | |
C20H17O11 | 433,0776 | 433,0768 | 2,52 | 300,271,169 | Quercetin-3-O-α − arabinopyranoside | HEEP | Ep |
C21H19O11 | 447,0933 | 447,0936 | −0,7 | 301, 271,151 | Quercetin-3-O-β − rhamnose | HEEP HEEA | Ep Ea |
C21H19O12 | 463,0880 | 463,0882 | 0,43 | 317, 271, 179 | myricitrin | HEEA HEEP | Ea |
C18 H23O14 | 463,1166 | 463,1086 | 1,19 | 301, 169 | Mudanoside B | HEEP | Ep |
C20H17O14 | 481,0624 | 481,0642 | −3,78 | 447, 301, 275, 211,169 | HHDP glucose isomer | HEEP | Ep |
C23H31O11 | 483,1872 | 483,1858 | 2,16 | 447, 331,169 | Digalloylglucose isomer | HEEP | Ep |
C27H30O15 | 593,1502 | 593,1547 | 1,67 | 415, 341, 284,103 | rutinosylkaempferol | HEEA | |
C27H19O14 | 609,1480 | 609,1461 | −3,1 | 511, 300, 151 | Rutin | HEEA | Ea |
C39H19O8 | 615,1087 | 615,1086 | −0,1 | 463, 301, 241, 169 | Quercetin galloylhexoside isomer | HEEP | Ea Ep |
C34H24O22 | 783,0686 | 783,0681 | 0,7 | 481, 381, 275 | bis HHDP-glucose isomer | HEEP |