Summary of metabolites of eriocitrin in rat liver microsomesa.
Metabolites ID | Composition | Formula | m/z | Error (ppm) | R.T. (min) | Score (%) | MS/MS fragments | clog P | Blanks | Controls | Samples |
---|---|---|---|---|---|---|---|---|---|---|---|
N1 | Loss of C6H10O5 [M − H]− | C21H22O10 | 433.1159 | 4.4 | 15.87 | 85.9 | 417.0309, 353.1632, 271.0645, 135.2507 | 0.83947 | − | − | + |
N2 | Loss of C12H20O9 [M − H]− | C15H12O6 | 287.0562 | 0.4 | 15.59 | 96.3 | 269.0391, 241.2241, 151.0039, 135.0451, 125.0236 | 1.84785 | − | − | + |
N3 | Desaturation [M − H]− | C27H30O15 | 593.1508 | −0.6 | 12.59 | 95.4 | 549.1892, 447.0645, 285.0406, 151.0032 | −0.21048 | − | − | + |
N4 | Loss of C6H10O4 + loss of water [M − H]− | C21H20O10 | 431.0976 | −1.7 | 14.49 | 76.6 | 399.0170, 387.0883, 313.0631, 269.0528 | 1.62817 | − | − | + |
N5 | Loss of C6H10O5 + hydrogenation [M − H]− | C21H24O10 | 435.1320 | 5.4 | 15.66 | 67.4 | 389.1652, 298.9101, 273.0560, 153.0836, 135.0666 | −0.52288 | − | − | + |
N6 | Loss of C6H10O4 + N-acetylation [M − H]− | C23H24O12 | 491.1161 | −7.0 | 15.42 | 64.0 | 473.2817, 445.1889, 287.1221, 125.0191 | 0.53447 | − | − | + |
N7 | Loss of C6H10O5 + demethylation to carboxylic acid [M − H]− | C21H20O12 | 463.0868 | −3.0 | 12.86 | 83.0 | 417.1839, 271.0245, 258.9180, 151.0005 | −0.19068 | − | − | + |
N8 | Loss of C6H10O5 + ketone formation [M − H]− | C21H20O11 | 447.0925 | −1.9 | 13.67 | 80.6 | 429.3176, 301.0338, 285.0364, 151.0020 | −0.06953 | − | − | + |
N9 | Loss of C12H20O10 + ketone formation [M − H]− | C15H10O6 | 285.0406 | 0.4 | 15.85 | 84.6 | 267.1811, 257.0448, 239.0672, 223.0274, 119.0614 | 1.48794 | − | − | + |
N10 | Oxidation [M − H]− | C27H32O16 | 611.1615 | −0.3 | 12.39 | 78.9 | 303.0505, 287.0565, 227.9309, 151.0036, 135.0468 | −1.45408 | − | − | + |
N11 | Loss of C6H10O5 + methylation [M − H]− | C22H24O10 | 447.1328 | 6.9 | 23.89 | 65.2 | 417.1216, 285.1388, 148.9971, 135.0752 | 0.662468 | − | − | + |
N12 | Loss of C12H20O9 + oxidation and methylation [M − H]− | C16H14O7 | 317.0694 | 8.6 | 16.61 | 70.4 | 299.0555, 273.0489, 180.9719, 165.0828 | 1.30533 | − | − | + |
+ detected; − undetected.