Key Metabolites δ 1H (ppm) and multiplicity* Concentration (µM/mg) Estimates of absolute concentrations in tissue (mM)
       
      Mean ± SD Mean ± SD
      Control 3 Gy 7.8 Gy Control 3 Gy 7.8 Gy
1 Leucine 0.94 (t), 0.99 (d), 1.27 (m), 1.46 (m), 1.95 (m), 3.64 (d) 1.83 ± 0.30 2.78 ± 0.22 4.44 ± 1.02 0.96 ± 0.16 1.46 ± 0.12 2.34 ±0.54
2 2-Aminobutyrate 0.96 (t), 1.91 (m), 3.68 (t) 1.48 ± 0.06 2.23 ± 0.20 2.37 ± 0.45 0.78 ± 0.03 1.17 ± 0.11 1.25 ± 0.24
3 Valine 0.97 (d), 1.02 (d), 2.27 (m), 3.6 (d) 1.37 ± 0.17 2.38 ± 0.20 4.21 ± 0.71 0.72 ± 0.09 1.25 ± 0.11 2.21 ± 0.37
4 Isobutyrate 1.05 (d), 2.38 (m) 0.22 ± 0.04 0.17 ± 0.01 0.22 ± 0.02 0.12 ± 0.02 0.09 ± 0.01 0.12 ± 0.01
5 3-Hydroxyisobutyrate 1.08 (d), 2.48 (m), 3.53 (m), 3.69 (m) 0.27 ± 0.05 0.19 ± 0.02 0.31 ± 0.05 0.14 ± 0.03 0.10 ± 0.01 0.16 ± 0.03
6 3-Hydroxybutyrate 1.2 (d), 2.3 (dd), 2.39 (dd), 4.14 (dd) 2.60 ± 0.32 2.66 ± 0.32 1.41 ± 0.11 1.37 ± 0.17 1.40 ± 0.17 0.74 ± 0.06
7 Fucose 1.2 (m), 3.4 (dd), 3.63 (dd), 3.8 (m), 4 (m), 4.19 (m), 4.55 (d), 5.22 (m) 1.20 ± 0.17 1.46 ± 0.24 1.68 ± 0.43 0.63 ± 0.09 0.77 ± 0.13 0.88 ± 0.23
8 Threonine 1.33 (d), 3.58 (d), 4.26 (m) 4.69 ± 0.51 7.05 ± 0.91 6.97 ± 0.97 2.47 ± 0.27 3.71 ± 0.48 3.67 ± 0.51
9 Lactate 1.33 (d), 4.11(q) 10.89 ± 1.24 18.7 ± 1.97 24.51 ± 1.57 5.73 ± 0.65 9.84 ± 1.04 12.9 ± 0.83
10 Lysine 1.43 (m), 1.51 (m), 1.72 (m), 1.89 (m), 1.91 (m), 3.03 (t),3.75 (t), 1.13 ± 0.20 1.54 ± 0.08 1.61 ± 0.19 0.59 ± 0.10 0.81 ± 0.04 0.85 ± 0.10
11 Alanine 1.48 (d), 3.78 (q) 3.55 ± 0.52 4.66 ± 0.76 7.06 ± 1.15 1.87 ± 0.27 2.45 ± 0.4 3.71 ± 0.61
12 Arginine 1.65 (m), 1.74 (m), 1.9 (m), 1.92 (m), 3.23 (t), 3.77 (t) 2.04 ± 0.21 3.04 ± 0.40 3.58 ± 0.28 1.07 ± 0.11 1.60 ± 0.21 1.88 ± 0.15
13 γ-Glutamylphenylalanine 1.97 (m),2.34 (m),2.89 (dd),3.21 (dd),3.57 (t),4.46 (m),7.27 (t),7.35 (t),7.91 (d) 0.23 ± 0.02 0.25 ± 0.03 0.33 ± 0.03 0.12 ± 0.01 0.13 ± 0.01 0.17 ± 0.01
14 Glutamate 2.05 (m), 2.14 (m), 2.34 (m), 2.37 (m), 3.76 (dd) 21.34 ± 3.37 21.65 ± 1.30 18.44 ± 1.52 11.23 ± 1.77 11.4 ± 0.69 9.71 ± 0.80
15 Glutathione 2.16 (m), 2.18 (m), 2.52 (m), 2.57 (m), 2.95 (dd), 2.98 (dd), 3.74 (d), 3.77 (m), 4.58 (m) 1.92 ± 0.15 2.65 ± 0.36 3.27 ± 0.54 1.01 ± 0.08 1.40 ± 0.19 1.72 ± 0.29
16 Malate 2.36 (dd), 2.67 (dd), 4.3 (m) 2.18 ± 0.14 2.79 ± 0.27 2.67 ± 0.44 1.14 ± 0.07 1.47 ± 0.14 1.40 ± 0.23
17 Succinate 2.39 (s) 1.13 ± 0.28 1.10 ± 0.09 0.91 ± 0.22 0.60 ± 0.15 0.58 ± 0.05 0.48 ± 0.12
18 2-Oxoglutarate 2.44 (t), 2.99 (t) 1.53 ± 0.11 2.06 ± 0.24 2.83 ± 0.38 0.81 ± 0.06 1.08 ± 0.12 1.49 ± 0.20
19 Isocitrate 2.49 (m), 2.57 (m), 2.99 (m), 4.06 (d) 3.02 ± 0.53 2.83 ± 0.25 3.98 ± 0.38 1.59 ± 0.28 1.49 ± 0.13 2.10 ± 0.20
20 β-Alanine 2.53 (t), 3.20 (t) 1.73 ± 0.18 2.23 ± 0.61 2.41 ± 0.13 0.91 ± 0.09 1.17 ± 0.32 1.27 ± 0.07
21 Citrate 2.54 (d), 2.68 (d) 0.19 ± 0.08 0.28 ± 0.04 0.28 ± 0.04 0.10 ± 0.04 0.15 ± 0.02 0.15 ± 0.02
22 Aspartate 2.67 (dd), 2.82 (dd), 3.9 (dd) 10.22 ± 1.49 10.77 ± 1.17 11.16 ± 1.25 5.38 ± 0.78 5.67 ± 0.61 5.87 ± 0.66
23 Trimethylamine 2.88 (s) 0.15 ± 0.03 0.15 ± 0.02 0.15 ± 0.01 0.08 ± 0.02 0.08 ± 0.01 0.08 ± 0.01
24 Tyramine 2.92 (t), 3.23 (t), 6.9 (m), 7.2 (m) 0.05 ± 0.01 0.07 ± 0.01 0.20 ± 0.06 0.02 ± 0.01 0.03 ± 0 0.11 ± 0.03
25 Creatine phosphate 3.01 (s), 3.94 (s) 0.57 ± 0.11 0.61 ± 0.07 0.84 ± 0.06 0.30 ± 0.06 0.32 ± 0.04 0.44 ± 0.03
26 Creatine 3.04 (s), 3.91 (s) 0.76 ± 0.12 1.67 ± 0.17 1.81 ± 0.15 0.40 ± 0.06 0.88 ± 0.09 0.95 ± 0.08
27 Creatinine 3.04 (s), 3.98 (s) 0.63 ± 0.11 0.64 ± 0.05 1.25 ± 0.08 0.33 ± 0.06 0.34 ± 0.03 0.66 ± 0.04
28 Tyrosine 3.06 (dd), 3.2 (dd), 3.93 (dd), 6.9 (m), 7.2 (m) 0.35 ± 0.04 0.65 ± 0.11 1.04 ± 0.10 0.18 ± 0.02 0.34 ± 0.06 0.54 ± 0.05
29 Phenylalanine 3.11 (dd), 3.27 (dd), 3.99 (dd), 7.33 (m), 7.38 (m), 7.43 (m) 0.41 ± 0.08 0.74 ± 0.11 1.36 ± 0.33 0.22 ± 0.04 0.39 ± 0.06 0.72 ± 0.18
30 Histidine 3.14 (dd), 3.24 (dd), 3.98 (dd), 7.06 (s), 7.79 (s) 0.21 ± 0.05 0.17 ± 0.04 0.27 ± 0.02 0.11 ± 0.02 0.09 ± 0.02 0.14 ± 0.01
31 Ethanolamine 3.14 (m), 3.82 (m) 2.54 ± 0.41 2.31 ± 0.42 2.65 ± 0.58 1.34 ± 0.21 1.21 ± 0.22 1.39 ± 0.31
32 Choline 3.21 (s), 3.52 (m), 4.07 (m) 2.18 ± 0.39 1.35 ± 0.19 2.43 ± 0.27 1.15 ± 0.21 0.71 ± 0.10 1.28 ± 0.14
33 π-Methylhistidine 3.22 (dd), 3.3 (dd), 3.73 (s), 3.95 (dd), 6.8 (s), 8 (s) 0.18 ± 0.02 0.29 ± 0.08 0.42 ± 0.09 0.09 ± 0.01 0.15 ± 0.04 0.22 ± 0.05
34 O-Phosphoethanolamine 3.22 (m), 3.98 (m) 18.22 ± 1.18 15.93 ± 1.33 13.69 ± 1.38 9.59 ± 0.62 8.39 ± 0.70 7.21 ± 0.73
35 Glucose 3.23 (m), 3.4 (m), 3.5 (m), 3.53 (dd), 3.7 (dd), 3.72 (dd),3.78 (m), 3.83 (m), 3.84 (m), 3.94 (dd), 4.65 (d), 5.23 (d) 1.49 ± 0.31 1.49 ± 0.32 2.84 ± 0.80 0.78 ± 0.17 0.79 ± 0.17 1.50 ± 0.42
36 Trimethylamine N-oxide 3.23 (s) 0.95 ± 0.15 0.74 ± 0.17 0.98 ± 0.15 0.50 ± 0.08 0.39 ± 0.09 0.51 ± 0.08
37 sn-Glycero-3-phosphocholine 3.23 (s), 3.6 (dd), 3.67 (m), 3.68 (dd), 3.86 (m), 3.92 (m),3.95 (m), 4.32 (m) 5.49 ± 0.73 7.41 ± 0.98 7.71 ± 1.38 2.89 ± 0.38 3.90 ± 0.52 4.06 ± 0.72
38 Taurine 3.26 (t), 3.43 (t) 39.14 ± 1.12 44.86 ± 1.26 53.7 ± 4.46 20.6 ± 0.59 23.61 ± 0.66 28.26 ± 2.35
39 Betaine 3.27 (s), 3.91 (s) 1.71 ± 0.38 1.04 ± 0.37 1.07 ± 0.22 0.90 ± 0.20 0.55 ± 0.19 0.56 ± 0.12
40 myo-Inositol 3.28 (t), 3.53 (dd), 3.62 (t), 4.06 (m) 7.03 ± 0.69 12.3 ± 1.39 18.98 ± 3.24 3.70 ± 0.36 6.48 ± 0.73 9.99 ± 1.70
41 Tryptophan 3.3 (dd), 3.48 (dd), 4.05 (dd), 7.2 (dd), 7.29 (dd), 7.32 (s),7.54 (d), 7.74 (d), 0.16 ± 0.03 0.28 ± 0.02 0.33 ± 0.06 0.08 ± 0.02 0.15 ± 0.01 0.17 ± 0.03
42 UDP-glucose 3.51 (dd), 3.58 (m), 3.78 (dd), 4.13 (d), 4.17 (m), 4.23 (m), 4.27 (m), 4.36 (m), 5.61 (dd), 5.97 (d), 5.99 (d),7.97 (d) 1.08 ± 0.12 0.86 ± 0.01 0.78 ± 0.09 0.57 ± 0.06 0.45 ± 0.01 0.41 ± 0.05
43 UDP-glucuronate 3.51 (dd), 3.58 (m), 3.78 (dd), 4.13 (d),4.17 (m),4.23 (m), 4.27 (m), 4.36 (m), 5.61 (dd), 5.97 (d), 5.99 (d),7.97 (d) 0.34 ± 0.02 0.29 ± 0.06 0.26 ± 0.03 0.18 ± 0.01 0.15 ± 0.03 0.14 ± 0.02
44 Glycerol 3.56 (dd), 3.65 (dd), 3.78 (m) 1.81 ± 0.18 2.58 ± 0.23 3.52 ± 0.41 0.95 ± 0.10 1.36 ± 0.12 1.85 ± 0.21
45 Glycine 3.56 (s) 3.76 ± 0.85 5.99 ± 0.88 4.25 ± 0.97 1.98 ± 0.45 3.16 ± 0.46 2.23 ± 0.51
46 UDP-galactose 3.72 (dd), 3.75 (dd), 3.81 (m), 3.91 (dd), 4 (d), 4.16 (m),4.19 (m), 4.24 (m), 4.28 (m), 4.37 (m), 5.63 (dd), 5.98 (m), 7.95 (d) 0.27 ± 0.04 0.29 ± 0.06 0.29 ± 0.03 0.14 ± 0.02 0.15 ± 0.03 0.15 ± 0.02
47 Ascorbate 3.73 (m),4.00 (t),4.50 (d) 9.00 ± 1.13 7.98 ± 0.71 6.32 ± 2.49 4.74 ± 0.59 4.20 ± 0.38 3.33 ± 1.31
48 Uridine 3.8 (dd), 3.89 (dd), 4.13 (m), 4.23 (t), 4.36 (t), 5.9 (d),5.92 (d), 7.88 (d), 0.57 ± 0.17 0.70 ± 0.11 0.56 ± 0.05 0.30 ± 0.09 0.37 ± 0.06 0.29 ± 0.02
49 Cytidine 3.81 (dd), 3.92 (dd), 4.12 (m), 4.19 (t), 4.3 (m), 5.89 (d),6.06 (d), 7.81(d) 0.33 ± 0.07 0.26 ± 0.03 0.26 ± 0.04 0.17 ± 0.04 0.14 ± 0.02 0.14 ± 0.02
50 Adenosine 3.83 (dd), 3.91 (dd), 4.29 (m), 4.42 (dd), 4.79 (dd), 6.05 (d), 8.24 (s), 8.34 (s) 0.75 ± 0.18 0.67 ± 0.15 0.42 ± 0.07 0.39 ± 0.09 0.36 ± 0.08 0.22 ± 0.04
51 Inosine 3.84 (dd), 3.92 (dd), 4.27 (m), 4.44 (m), 4.76 (t), 6.11 (d),8.23 (s), 8.35 (s) 0.71 ± 0.39 0.27 ± 0.08 0.31 ± 0.21 0.37 ± 0.20 0.14 ± 0.04 0.16 ± 0.11
52 Serine 3.84 (dd), 3.95 (dd), 3.99 (dd) 6.75 ± 1.23 7.21 ± 0.65 8.96 ± 0.41 3.55 ± 0.65 3.80 ± 0.34 4.72 ± 0.22
53 AMP 4.01 (m), 4.36 (m), 4.49 (m), 4.78 (dd), 6.11 (d), 8.24 (s),8.62 (s) 1.30 ± 0.41 1.16 ± 0.17 1.07 ± 0.16 0.69 ± 0.22 0.61 ± 0.09 0.56 ± 0.08
54 ADP 4.2 (m), 4.37 (m), 4.57 (dd), 4.74 (dd), 6.13 (dd), 8.27 (s),8.58 (s) 0.69 ± 0.08 0.37 ± 0.02 0.41 ± 0.05 0.36 ± 0.04 0.19 ± 0.01 0.22 ± 0.03
55 ATP 4.2 (m), 4.4 (m), 4.57 (dd), 4.74 (dd), 6.15 (d), 8.23 (s),8.38 (s) 0.39 ± 0.18 0.24 ± 0.04 0.56 ± 0.07 0.21 ± 0.10 0.13 ± 0.02 0.29 ± 0.04
56 GTP 4.24 (m), 4.35 (m), 4.55 (m), 4.74 (dd), 5.94 (d), 8.12 (s) 0.64 ± 0.11 0.61 ± 0.15 0.41 ± 0.06 0.34 ± 0.06 0.32 ± 0.08 0.22 ± 0.03
57 Uracil 5.8 (d), 7.53 (d) 0.06 ± 0.01 0.14 ± 0.02 0.22 ± 0.06 0.03 ± 0.01 0.07 ± 0.01 0.11 ± 0.03
58 Fumarate 6.52 (s) 0.08 ± 0.02 0.08 ± 0.02 0.08 ± 0.02 0.04 ± 0.01 0.04 ± 0.01 0.04 ± 0.01
59 Niacinamide 7.6 (dd), 8.26 (m), 8.71 (m), 8.94 (d) 0.31 ± 0.09 0.34 ± 0.04 0.42 ± 0.05 0.16 ± 0.05 0.18 ± 0.02 0.22 ± 0.03
60 Oxypurinol 8.19 (s) 19.09 ± 2.98 10.28 ± 1.49 20.43 ± 0.90 10.05 ± 1.57 5.41 ± 0.78 10.75 ± 0.47
61 Hypoxanthine 8.19 (s), 8.21 (s) 0.50 ± 0.07 0.59 ± 0.20 0.68 ± 0.06 0.26 ± 0.04 0.31 ± 0.10 0.36 ± 0.03
s: singlet; d: doublet; t: triplet; q: quartet; m: multiplet; dd: doublet of doublet
Abbreviations: UDP-Glucuronate: Uridine Diphosphate Glucoronate; UDP-Galactose: Uridine Diphosphate Galactose; AMP: Adenosine Triphosphate; ADP: Adenosine Diphosphate; GTP: Guanosine-5'-Triphosphate
Table 1: Hydrophilic metabolites peak assignments and concentrations