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. 2012 Oct 17;7(10):e46914. doi: 10.1371/journal.pone.0046914

Table 2. Experimental data and proposed structures of the metabolites detected after exposure of C. elegans to genistein for 48 h.

Peak Peak area (%) [M-H] Fragment ions Proposed structure
1 0.1 593 431, 269, 268 Gen-7,4′-di-O-glucoside
2 0* 511 269, 241, 97, 79 Gen-O-phosphohexoside
3 0.1 593 431, 269, 239, 227 Gen-di-O-hexoside
4 2.3 673 403, 269, 97, 79 Gen-O-phosphodisaccharide
5 61.1 511 269, 241, 97, 79 Gen-7-O-phosphoglucoside
6 3.6 511 413, 269, 241, 97, 79 Gen-4′-O-phosphohexoside
7 1.0 593 269, 225 Gen-O-disaccharide
8 0.1 431 311, 269/268, 225,157/159 Gen-O-hexoside
9 0.1 431 311, 269, 225,157/159 Gen-O-hexoside
10 19.6 431 269/268, 239, 211, 195, 167 Gen-7-O-ß-D-glucoside
11 3.4 431 269/268, 239, 211, 195, 167 Gen-4′-O-ß-D-glucoside
7.3 269 225, 159, 133, 107 Gen aglycone

Peak number and peak area (in %) refer to the LC/UV chromatogram shown in Figure 1.

*

Metabolite was only detected in MS analysis. Gen, genistein.