TABLE 1.
Biochemical classes of the 16 selected metabolites based on MS/MS analysis using searches of the m/z values in Human Metabolite Database (HMDB), considering [M-H]-ion mode and molecular weight tolerance < 0.05 Da.
| m/z | HMDB_code | Spectrum assigned | Class | Super class |
| 169.0847 | HMDB0030471 | 61.7 | Heteroaromatic compounds | Organoheterocyclic compounds |
| 191.052 | ||||
| 207.0997 | HMDB0029872 | 82.2 | Phenol ethers | Benzenoids |
| HMDB0034991 | 83.7 | Benzene and substituted derivatives | Benzenoids | |
| HMDB0040225 | 84.1 | Benzene and substituted derivatives | Benzenoids | |
| 301.0362 | HMDB0015039 | 91.9 | Benzene and substituted derivatives | Benzenoids |
| 399.1279 | HMDB0061023 | 48.7 | Benzothiazepines | Organoheterocyclic compounds |
| HMDB0033258 | 45.7 | Furanoid lignans | Lignans, neolignans and related compounds | |
| HMDB0040556 | 44.9 | Flavonoids | Phenylpropanoids and polyketides | |
| 487.147 | HMDB0035860 | 78.0 | Steroids and steroid derivatives | Lipids and lipid-like molecules |
| 489.0887 | HMDB0128306 | 38.1 | Depsides and depsidones | Phenylpropanoids and polyketides |
| 505.0924 | HMDB0033894 | 57.7 | Flavonoids | Phenylpropanoids and polyketides |
| HMDB0037352 | 58.4 | Flavonoids | Phenylpropanoids and polyketides | |
| 533.1794 | HMDB0031584 | 36.4 | Diarylheptanoids | Phenylpropanoids and polyketides |
| 533.1832 | HMDB0133430 | 58.5 | Diarylheptanoids | Phenylpropanoids and polyketides |
| 615.0893 | HMDB0037367 | 66.8 | Coumarans | Organoheterocyclic compounds |
| HMDB0033593 | 68.5 | Flavonoids | Phenylpropanoids and polyketides | |
| 784.0677 | ||||
| 865.1768 | HMDB0036339 | 41.5 | Benzopyrans | Organoheterocyclic compounds |
| 915.0872 | ||||
| 935.0737 | ||||
| 985.1147 |