A list of 12 ions as the identified biomarkers in LC-MS-based analysis between group A and E of matured coconut water.
| No. | Metabolites | mz | RT | Exact mass | Precursor_type | Formula | Fold change | p-value | FDR |
|---|---|---|---|---|---|---|---|---|---|
| 1 | Dibutyl phthalate | 279.16 | 48.6329 | 278.3435 | [M + H]+ | C16H22O4 | 1.5642 | 0.015450 | 0.061998 |
| 2 | l-Leucine | 132.10 | 562.92 | 131.1730 | [M + H]+ | C6H13NO2 | 3.2962 | 0.001121 | 0.013333 |
| 3 | (S)-Malate | 133.01 | 331.87 | 134.0215 | [M + H]+ | C4H6O5 | 1.5003 | 0.013515 | 0.074707 |
| 4 | l-Valine | 118.09 | 118.09 | 119.1192 | [M + H]+ | C5H11NO2 | 6.3049 | 0.008480 | 0.043862 |
| 5 | Deethylatrazine | 188.07 | 254.66 | 187.0625 | [M + H]+ | C6H10ClN5 | 1.6827 | 0.015390 | 0.06199 |
| 6 | l-Threonine | 120.07 | 80.9026 | 119.1192 | [M + H]+ | C4H9NO3 | 2.6115 | 0.002244 | 0.020482 |
| 7 | (R)-Pantothenic acid | 220.12 | 222.67 | 219.2350 | [M + H]+ | C9H17NO5 | 2.928 | 0.002717 | 0.021808 |
| 8 | Taurine | 125.99 | 299.08 | 131.1730 | [M + H]+ | C2H7NO3S | 1.9281 | 0.001045 | 0.012768 |
| 9 | Malic acid | 133.01 | 105.06 | 134.08744 | [M − H]− | C4H6O5 | 2.3213 | 0.001322 | 0.014273 |
| 10 | Gamma-aminobutyric acid zwitterion | 104.07 | 74.72 | 103.1198 | [M + H]+ | C4H9NO2 | 0.46612 | 0.021746 | 0.076232 |
| 11 | Acetoacetate | 103.04 | 93.00 | 102.09 | [M + H]+ | C4H6O3 | 0.61798 | 0.001131 | 0.013333 |
| 12 | Keto-d-fructose | 179.06 | 95.69 | 180.1559 | [M − H]− | C6H12O6 | 0.33386 | 0.007132 | 0.037234 |