Table 2. Putative antifungal candidates based on chemometrics and biochemometrics profiling of fractions in negative ion mode.
| Feature (m/z_RT) | Adduct type | Putative ID | MS/MS spectrum | Class | Reported antifungal activity* |
|---|---|---|---|---|---|
| mz327.25415_19.306 | [M-H]- | 2,4-Dihydroxyheptadec-16-enyl acetate | 89.02545 : 4076 193.49608 : 4437 206.62772 : 4068 215.65144 : 4152 242.98553 : 24353 255.23306 : 438856 262.99387 : 4615 286.99622 : 4384 326.99454 : 16492 327.18158 : 4486 327.25497 : 9773 |
Lipid/fatty acyl | Unknown |
| mz811.46448_20 | [M+HCOO]- | Cauloside C | 121.06588 : 10723 143.47859 : 4616 152.37431 : 4121 188.93207 : 4099 193.08763 : 6124 257.28659 : 4597 281.24908 : 77431 284.40451 : 4719 362.14395 : 4483 483.20160 : 6746 542.84064 : 4469 542.97668 : 5207 725.87927 : 5934 765.47131 : 5675 811.03723 : 12666 811.46045 : 25946 | Triterpenoid saponin | Unknown |
m/z_RT refers to mass to charge_retention time of the compounds.
MS/MS spectrum refers to fragment ions of the tentatively identified compounds.
Column ‘Antifungal’ refers to annotated antifungal activity based on published literature. ‘Unknown’ denotes that no studies were found that specifically tested the compound for its antifungal properties.