High resolution mass spectrometry. Bufadienolides I

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Abstract
Complete low resolution mass spectra and some high resolution data are presented and discussed for a series of naturally occurring 14β‐hydroxy bufadienolides (toad venoms) and their derivatives, but excluding compounds with a 14β,15β‐epoxy group. The bufadienolides employed were bufalin, bufotalin, gamabufotalin, telocinobufagin, arenobufagin, 3β‐acetoxybufotalien, 3β‐acetoxyhellebrigenin, 3β‐acetoxybufalin, 3‐ketobufalin, 14‐anhydrobufalin, 3β‐acetoxy‐15‐ketobufalin and 15α‐hydroxybufalin. The relatively unsaturated 2‐pyrone functionality at C‐17β has been used as an integral label to distinguish (from elemental composition data) ions containing it, from those coming from other parts of the molecule that do not. Structural ‘ion types’ are proposed to interpret this spectral data, and the prognosis for structure elucidation of other bufadienolides by high resolution mass spectrometry appears good.