Table 1: The predicted elemental compositions, measured masses and calculated masses, double-bond equivalents (DBEs), and mass errors of pseudo molecule of genipin and its fragment ions.

Elemental compositionMeasured mass (Da)Calculated mass (Da)DBEError (mDa)Error (ppm)

225.0774225.07634.51.14.9
207.0674207.06576.51.78.2
195.0673195.06575.51.68.2
175.0414175.03957.51.910.9
147.0456147.04466.51.06.8
123.0456123.04464.51.08.1
101.0248101.02392.50.98.9