Table 4.
Metabolites identified in the ethanol extracts of raw broccoli seeds using UHPLC-Q-TOF-MS2. RT, retention time.
| Peak No. | RT Per Min | Molecular Weight | [M−H]-(m/z) | Molecular Formula | MS/MS (%) Abundance | Compound Identified |
|---|---|---|---|---|---|---|
| 1 | 0.7 | 132.090 | 131.0823 | C5H12N2O2 | 131 (52%), 88 (100%) | Ornithine |
| 2 | 0.7 | 174.112 | 173.104 | C6H14N4O2 | 173 (100%) | l-Arginine |
| 3 | 0.77 | 132.054 | 131.0459 | C4H8N2O3 | 53 (100%), 70 (99%) | l-Asparagine |
| 4 | 0.77 | 105.043 | 104.035 | C3H7NO3 | 70 (100%) | d-Serine |
| 5 | 1.05 | 290.02528 | 289.018 | C5H7NO3 | 289 (100%), 72 (34%), | pyroglutamic acid |
| 6 | 1.12 | 359.035 | 358.027 | C10H17NO9S2 | 74 (53%), 95 (42%), 96 (100%), 274 (3%) | Sinigrin |
| 7 | 1.22 | 112.016 | 111.008 | C5H4O3 | 65 (100%), 70 (23%) | 3-Furoic acid |
| 8 | 2.98 | 165.079 | 164.071 | C9H11NO2 | 103 (100%) | l-Phenylalanine |
| 9 | 13.33 | 385.258 | 384.251 | C19H35N3O5 | 111(37%), 180 (20%), 224 (39%) | Actinonin |
| 10 | 16.75 | 224.069 | 223.061 | C11H12O5 | 164(62%), 149 (59%), 121 (30%), | Sinapic acid |