Table 1.
Formula [M − H]− | Theoretical Mass [M − H] m/z | Experimental Mass [M − H]− m/z | ∆m (ppm) | MS/MS Fragments m/z | Compound Identification | Myrcia Species |
---|---|---|---|---|---|---|
C7H5O5 | 169.0158 | 169.0162 | 2.36 | 151, 125 | gallic acid | Mb |
C7H11O6 | 191.0561 | 191.0562 | −0.52 | 173, 111 | quinic acid | Mb Mf Mg |
C14H5O8 | 300.9987 | 300.9979 | 0.84 | 257, 229 | ellagic acid | Mf Mb |
C13H15O10 | 331.0671 | 331.0668 | 2.65 | 271, 211, 169, 125 | monogalloylglucose | Mb Mf Mg |
C14H15O10 | 343.0666 | 343.0660 | 1,75 | 191, 169, 125 | monogalloylquinic acid | Mf |
C20H17O14 | 481.0624 | 481.0623 | 0.16 | 301, 275 | HHDP-glucose isomer | Mf |
C20H19O14 | 483.0770 | 483.0775 | −1.03 | 331, 169, 125 | digalloyl-glucose isomer | Mf Mg |
C34H24O22 | 783.0657 | 783.0659 | −0.26 | 481, 301, 191 | bis HHDP-glucose | Mf |
C41H27O26 | 935.0708 | 935.0760 | −5.56 | 783, 481, 451, 301 | bis HHDP-galloylglucose (casuarinin) | Mf |
C48H29O30 | 1085.0720 | 1085.0738 | −1.66 | 935, 783, 301 | eucalbanin A/cornusin B isomer | Mf |