Table 2.
The identified 24 biomarkers of calcium deficiency in serum
| Ion mode | RT (min) | Actual mass (Da) | Exact mass (Da) | Mass error (ppm) | Elemental composition | Metabolite identification | Change trend | Fold change | p | VIP | q value |
|---|---|---|---|---|---|---|---|---|---|---|---|
| + | 0.72 | 204.1242 | 204.1230 | 6 | C9H17NO4 | L-Acetylcarnitinec | ↓ | 0.67 | 0.000 | 4.44 | 6.14E−05 |
| + | 0.76 | 258.1115 | 258.1084 | 12 | C10H15N3O5 | 5-Methylcytidinec | ↑ | 1.42 | 0.001 | 3.23 | 9.70E−05 |
| + | 0.77 | 118.0875 | 118.0863 | 10 | C5H11NO2 | L-Valineb | ↑ | 1.35 | 0.001 | 4.44 | 9.70E−05 |
| + | 0.78 | 148.0641 | 148.0624 | 11 | C6H7N5O | 7-Methylguaninec | ↑ | 3.88 | 0.001 | 3.56 | 7.24E−05 |
| + | 0.79 | 203.0627 | 203.0662 | 17 | C7H10N2O5 | Penmacric acidb | ↓ | 0.65 | 0.000 | 3.12 | 4.58E−05 |
| − | 0.81 | 124.0076 | 124.0074 | 2 | C2H7NO3S | Taurinea | ↑ | 1.22 | 0.001 | 1.62 | 0.00033422 |
| + | 0.94 | 262.1298 | 262.1285 | 5 | C11H19NO6 | Methylmalonylcarnitinec | ↑ | 1.40 | 0.041 | 2.82 | 0.00270596 |
| + | 0.98 | 182.0822 | 182.0812 | 6 | C9H11NO3 | L-Tyrosineb | ↑ | 1.14 | 0.041 | 1.91 | 0.00270596 |
| + | 1.00 | 132.1039 | 132.1019 | 15 | C6H13NO2 | L-Leucineb | ↓ | 0.95 | 0.046 | 1.52 | 0.01290261 |
| − | 1.21 | 115.0048 | 115.0037 | 10 | C4H4O4 | Fumaric acidc | ↑ | 5.45 | 0.000 | 1.68 | 4.58E−05 |
| − | 1.21 | 89.0231 | 89.0244 | 15 | C3H6O3 | L-Lactic acidb | ↑ | 1.21 | 0.000 | 2.93 | 5.01E−05 |
| − | 1.53 | 194.9450 | 194.9465 | 8 | H6P2O8 | Phosphoric acida | ↑ | 2.82 | 0.032 | 1.94 | 0.00191090 |
| + | 2.93 | 157.0630 | 157.0614 | 9 | C6H10N2O4 | N-Acetylasparaginec | ↓ | 0.00 | 0.000 | 2.80 | 4.58E−05 |
| − | 3.39 | 241.1158 | 241.1188 | 13 | C11H20N2O5 | gamma-Glutamylisoleucinec | ↓ | 0.01 | 0.000 | 12.28 | 4.58E-05 |
| − | 4.01 | 283.0701 | 283.0684 | 6 | C16H12N4O6 | Xanthosinea | ↑ | 2.38 | 0.002 | 2.52 | 0.00016004 |
| − | 4.87 | 129.0565 | 129.0557 | 6 | C6H10O3 | Ketoleucinec | ↑ | 1.52 | 0.000 | 2.69 | 4.58E−05 |
| − | 4.87 | 281.0902 | 281.0891 | 4 | C11H14N4O5 | 1-Methylinosinec | ↑ | 2.17 | 0.000 | 3.22 | 4.58E−05 |
| − | 4.96 | 225.1139 | 225.1132 | 3 | C12H18O4 | 3,4-Methylenesebacic acidc | ↓ | 0.02 | 0.000 | 9.36 | 4.58E-−05 |
| − | 4.98 | 293.1120 | 293.1143 | 8 | C14H18N2O5 | gamma-Glutamylphenylalaninec | ↓ | 0.03 | 0.000 | 3.62 | 4.58E−05 |
| − | 5.59 | 212.0009 | 212.0023 | 7 | C8H7NO4S | Indoxyl sulfatea | ↑ | 2.05 | 0.000 | 2.31 | 8.53E−05 |
| − | 6.64 | 301.2172 | 301.2173 | 0 | C20H30O2 | Eicosapentaenoic acidb | ↑ | 1.50 | 0.001 | 2.85 | 9.70E−05 |
| + | 7.76 | 548.3729 | 548.3711 | 3 | C28H54NO7P | LysoPC(20:2(11Z,14Z))c | ↑ | 1.63 | 0.000 | 4.36 | 5.01E−05 |
| − | 9.63 | 327.2293 | 327.2330 | 11 | C22H32O2 | Docosahexaenoic acidb | ↑ | 1.53 | 0.001 | 6.52 | 8.53E−05 |
| − | 9.96 | 303.2297 | 303.2330 | 12 | C20H32O2 | Arachidonic acidb | ↓ | 0.95 | 0.032 | 2.99 | 0.00611788 |