Table 1.
Hydrophilic metabolites peak assignments and concentrations
| 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