Table 1.
Ultra performance liquid chromatography-high resolution mass spectrometry (UHPLC-HRMS) data obtained from the four metabolites in HESI+ and HESI− mode. Compounds, polarity, chemical configuration, observed masses, calculated masses and mass error of the molecular are reported.
| Compound | Polarity | Ion formula | Observed m/z (Da) | Calculated m/z (Da) | Mass error (ppm) |
|---|---|---|---|---|---|
| 1-3 | + | C26 H27 O12 N Cl | 580.12042 | 580.12219 | −0.59 |
| 1-3 | − | C26 H25 O12 N Cl | 578.10812 | 578.10651 | 2.14 |
| 4 | + | C21 H21 O6 N Cl | 418.10428 | 418.10574 | −0.91 |
| 4 | − | C21 H19 O6 N Cl | 416.09120 | 416.09009 | 1.66 |