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Table 2 The identified 24 biomarkers of calcium deficiency in serum

From: Serum biomarkers of the calcium-deficient rats identified by metabolomics based on UPLC/Q-TOF MS/MS

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
  1. Arrow denoted the increase (↑) or decrease (↓) of the metabolites in low-calcium diet rat compared with those in the control rats
  2. RT retention time (minute)
  3. aIdentified in our published paper [20, 21]
  4. bIdentified by standard compounds
  5. cIdentified by RT and actual m/z
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