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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