Compounds detected in extract 220D-F2 by accurate mass LC/UV/MS/MS.

†Proposed structures corresponding to this data are reported in Figure 4. Of the major UV components identified, the most abundant was EA (#2, MW 302). The second most abundant UV component (#7) did not yield a clear MS signal suggestive of a single species or reasonable molecular formula, and thus no structure is proposed. The third most abundant UV component (#1, MW 434) appears to be EA plus a C5H8O4 moiety. A fourth UV component (#3, MW 448) was found to be consistent with a glyosylated derivative of EA. Investigation of the possible formulae consistent with the mass measurement of the fifth UV component (#4) did not yield sufficient data for proposal of a structure. Of the major MS components, the most abundant (#8) did not yield enough information to support the proposal of a structure, however the molecular weights and mass defects suggest that they may be dimers of MW∼500 species (similar to #6). The second most abundant MS component (#6) is consistent with a sapogenin. Successive loss of water (m/z 18) is consistent with a poly-hydroxylated compound. The third most abundant MS component (#5, MW 534) appears to be similar to #6 and has MS/MS losses consistent with a multiply hydroxylated compound like a sapogenin. Losses consisted with neutral loss of a sugar were not observed.