Table 1.
The UPLC-MSn data and main compound names of the 5 peaks.
| Peak no. | Scan mode | t R (min) | Molecular formula | [M ± H] | Identification | ppm | Identification |
|---|---|---|---|---|---|---|---|
| a1 | Negative | 0.81 | C6H10O8 | 209.0307 | MS1: 209.0307 [M − H]−, MS2: 191.0202 [M-H2O-H]−, 147.0302 [M-H2O-CO2-H]− | −0.48 | Mucic acid |
| a2 | Negative | 0.88 | C6H8O7 | 191.0202 | MS1: 191.0202 [M − H]−, 383.0477 [2M − H]− MS2: 147.0302 [M-CO2-H]− | 0.52 | Mucic acid lactone |
| a3 | Negative | 1.61 | C7H6O5 | 169.0149 | MS1: 169.0149 [M − H]−, MS2: 125.0251 [M-CO2-H]− | 0.59 | Gallic acid |
| b4 | Positive | 20.68 | C24H39O4 | 391.2838 | MS1: 391.2838 [M + H]+ | −0.51 | Ethyl hexyl phthalate |
| c5 | Negative | 2.26 | C6H12O6 | 179.0564 | MS1: 179.0564 [M − H]−, MS2: 101.0248 [C4H5O3]−, 89.0242 [C3H5O3]−, 71.01382 [C3H2O2]− | −2.78 | Glucose |
a: Gallotannins, b: Phthalates, c: Glucose.