Electrospray tandem mass spectra with CID of flavanones and selected metabolites
Substrate/Metabolite | Precursor Ion, m/z | Major Fragment Ions (Relative Abundance) | Identification |
|---|---|---|---|
| Flavanone | See Fig. 1 | ||
| M2 | [M + H]+ 241.0885 | 241.09 (11); 226.06 (12); 223.07 (9); 147.04 (42) (1,4B+); 121.03 (100) (1,3A+) | 2′-Hydroxyflavanone |
| M3 | [M + H]+ 241.080 | 137.01(100) (1,3A+) | A-Ring hydroxylation |
| M4 | [M + H]+ 241.084 | 241.09 (15); 226.06 (14); 147.04 (22) (1,4B+); 121.03 (100) | 4′-Hydroxyflavanone |
| M5 | [M + H]+ 241.083 | 241.08 (3); 195.08 (20); 167.09 (100);121.03 (52) (1,3A+) | 3-Hydroxyflavanone |
| M7 | [MH - H2O]+ 209.0979 | 209.09 (42); 194.07 (32); 181.10 (25); 166 0.07(30); 131.05 (83); 115.05 (100); 91.06 (35) | Flavan-4-ol |
| M8 | [MH - H2O]+ 209.0980 | 209.09 (42); 194.07 (24); 181.10 (25); 166 0.07 (30); 165.07 (11) 131.05 (86); 115.05 (100); 91.06 (36) | Flavan-4-ol |
| 4′-OH Flavanone | [M - H]- 239.0712 | 119.05 (100) (1,3B-) | |
| M9 | [M - H]- 255.0645 | 135.04 (100) (1,3B-) | 3′,4′-Dihydroxyflavanone |
| M10 | [M - H]- 255.065 | 119.06 (100) (1,3B-);107 (20) | A-Ring hydroxylation |
| M11 | [M - H]- 237.0565 | 237.05 (8); 117.03(100) (1,3B-) | 4′-Hydroxyflavone |
| 3′-OH Flavanone | [M - H]- 239.0715 | 221.06 (100); 193.06 (50); 165.07 (20); 119.05 (100) (1,3B-) | |
| M9 | see above | ||
| M12 | [M - H]- 255.0659 | 135.04 (100) (1,3B-); 134.03 (10); 133.02 (8); 109.06 (8) 93.02 (8) | B-Ring dihydroxylation |
| M13 | [M - H]- 241.0856 | 119.05 (100) (1,3B); 93.03 (30) | 3′-Hydroxyflavan-4-ol |
| M14 | [M - H]- 241.0855 | 119.05 (100)(1,3B); 93.03 (30) | 3′-Hydroxyflavan-4-ol |
| Pinocembrin | [M - H]- 255.0650 | 255.06 (100); 213.09 (20); 211.10 (10); 151.01 (20) (1,3A-); 107.02 (10) | |
| M16 | see Naringenin | Naringenin | |
| M19 | [M - H]- 289.0722 | 289.07 (90); 271.06 (10); 151.00 (70) (1,3A-); 135.03 (10) (1,3B-); 125.02 (70) (1,4A-); 119.05 (22) | 3,4,5,7,4′-Pentahydroxyflavan |
| Naringenin | [M - H]- 271.0616 | 271.06 (20); 151.01 (100) (1,3A-); 119.05 (40) (1,3B-); 107.01 (10); 93.03 (8) | |
| M20 | [M - H]- 287.0560 | 151.00 (35) (1,3A-); 119.05 (100) (1,3B-) | Eriodictyol |
| M22 | [M - H]- 287.055 | 125.01 (100) | Aromadendrin |
| M24 | [M - H]- 177.0176 | 135.02 (35); 133.01 (25); 109.02 (25); 107.02 (40); 91.01 (100); 89.02 (30); 77.05 (30) | 5,7-Dihydroxychromone |
| Liquiritigenin (7,4′-Dihydroxyflavanone) | [M - H]- 255.0648 | 135.02 (30) (1,3A-); 119.05 (100) (1,3B-); 91.03 (20) | |
| M25 | [M - H]- 271.061 | 135.04 (100) (1,3B-); 135.00 (1,3A-) (30) | 7,3′,4′-Trihydroxyflavanone |
| M26 | [M - H]- 271.062 | 161.02 (20); 135.01 (45); 109.05 (100); 108.02 (5) | Hydroxy quinone metabolite |
| M27 | [M - H]- 271.065 | 151.01 (20); 119.06 (100) (1,3A-); 107.06 (15) | A-Ring dihydroxy metabolite |
| M28 | [M - H]- 271.067 | 151.01 (25) (1,3A-); 119.06 (100) (1,3B-) | A-Ring dihydroxy metabolite |
| M29 | [M - H]- 253.054 | 135.02 (40); 133.04 (30); 117.03 (100) (1,3B-) | 7,4′-Dihydroxyflavone |
| M30 | [M - H]- 161.028 | 161.03 (100); 133.03 (95); 117.06 (40); 91.05 (40); 77.07 (70) | 7-hydroxychromone |