Table 3.
Key ions in HRMS-MS spectra (m/z with relative abundances (%) in parenthesis) for the identification of biochanin A and isomers.
| Ions | Biochanin A (20.09 min) |
Calycosin (17.52 min) |
Prunetine (18.11 min) |
Glycitein (16.33min) |
5,7-dihydroxy-2′-methoxy- flavone (16.58 min) |
|---|---|---|---|---|---|
| [M–H]− | 283.06 | 283.06 | 283.06 | 283.06 | 283.06 |
| [M-H-CH3]− | 268.03 (97) | 268.03 (100) | 268.03 (100) | 268.03 (100) | 268.03 (100) |
| [M-H-OH]− | 267.06 (10) | 267.06 (4) | 267.06 (11) | 267.06 (11) | 267.06 (18) |
| [M-H-CO2]− | - | 239.07 (13) | 239.07 (6) | 239.07 (20) | 239.07 (35) |
| [M-H-CO]− | 255.06 (25) | 255.06 (9) | 255.06 (42) | 255.06 (12) | 255.06 (56) |
| [M-H-CH3-CO]− | 240.04 (5) | 240.04 (10) | 240.04(44) | 240.04 (29) | 240.04 (14) |
| [M-H-CH3-CO2]− | 224.04 (22) | 224.04 (100) | 224.04 (10) | - | - |
| [M-H-CH3-C2H2O]− | 226.04 (12) | 226.04 (10) | - | - | - |
| [M-H-CH3-H-CO]− | 239.03 (10) | 239.03 (10) | 239.03 (17) | - | 239.03 (10) |
| [M-H-CH3-H-CO2]− | 223.04 (16) | 223.04 (12) | - | - | - |
| [M-H-CH3-2CO]− | 212.02 (59) | - | - | 212.02 (18) | - |
| [M-H-CH3-CO-CO2] | - | - | 196.05 (15) | 196.05 (62) | |
| [M-H-CH3-CO-H-CO2]− | 195.13 (17) | - | - | - | |
| [M-H-CO-C-ring]− | - | 193.05 (18) | |||
| [M-H-CH3-CO-H-CO]− | 211.03 (10) | - | 211.03 (6) | - | |
| [M−H−CH3−CO−CO2−CO]− | - | - | - | 168 (12) | - |
| [M-H-CO-B-ring]− | - | - | 167.03 (23) | 167.03 (23) | - |
| [M-H-CH3-CO-B-ring]− | 147.04 (41) | 147.04 (27) | - | 147.04 (18) | 147.04 (48) |
| [A-ring fragment]− | 135.08 (74) | - | - | - | - |
| [B-ring fragment]− | 132.02 (48) | 132.02 (12) | - | - | - |