Table 1. Peak assignments and integral regions.
Metabolite | Assignment | δ (ppm) | Untreated | Irradiated | |||
---|---|---|---|---|---|---|---|
From | To | Mean | SD | Mean | SD | ||
Acetate | α-CH3 (d) | 1.93 | 1.91 | 448.79 | 50.31 | 341.49 | 61.04 |
Ala | β-CH3 (d) | 1.50 | 1.47 | 155.38 | 27.86 | 177.45 | 7.02 |
Asp | α-CH (dd) | 2.69 | 2.64 | 146.49 | 17.89 | 141.64 | 20.93 |
β-CH2 (dd) | 2.71 | 2.69 | 40.42 | 12.33 | 37.25 | 10.26 | |
β-CH2 (dd) | 2.84 | 2.79 | 49.80 | 7.61 | 47.41 | 3.81 | |
ATP | 5’-CH2 (m) | 4.44 | 4.40 | 284.96 | 30.21 | 207.76 | 16.93 |
1’-CH (d) | 6.17 | 6.14 | 205.79 | 9.59 | 170.23 | 18.21 | |
2-CH (s) | 8.29 | 8.27 | 143.62 | 14.75 | 117.74 | 9.66 | |
Choline | N-CH3 (s) | 3.23 | 3.22 | 100.98 | 9.95 | 203.64 | 9.29 |
Creatine | N-CH3 (s) | 3.04 | 3.03 | 503.70 | 37.06 | 435.52 | 58.59 |
α-CH2 (s) | 3.94 | 3.92 | 387.04 | 17.13 | 312.79 | 25.32 | |
CP | N-CH3 (s) | 3.06 | 3.04 | 927.33 | 103.48 | 740.98 | 68.27 |
α-CH2 (s) | 3.97 | 3.94 | 624.26 | 33.22 | 509.38 | 41.90 | |
Formate | H (s) | 8.47 | 8.45 | 113.10 | 17.25 | 96.75 | 16.06 |
Glu | β-CH2 (m) | 2.10 | 2.02 | 329.62 | 43.42 | 327.81 | 37.01 |
γ-CH2 (m) | 2.38 | 2.32 | 402.98 | 14.69 | 429.76 | 22.17 | |
Glucose | 1-CH (d) | 5.25 | 5.23 | 28.29 | 9.19 | 11.23 | 9.49 |
Glutamine | γ-CH2 (m) | 2.48 | 2.43 | 150.35 | 21.21 | 148.91 | 20.88 |
Glutathione | Glu-γ-CH2 (m) | 2.59 | 2.54 | 220.70 | 33.58 | 214.76 | 28.23 |
Cys-β-CH2 (m) | 3.01 | 2.95 | 104.20 | 22.41 | 115.49 | 26.55 | |
Glycerol | CH2 (m) | 3.56 | 3.54 | 121.56 | 19.39 | 139.28 | 29.26 |
CH2 (m) | 3.59 | 3.57 | 124.95 | 5.70 | 144.05 | 24.38 | |
CH2 (m) | 3.67 | 3.64 | 337.51 | 44.32 | 394.20 | 32.42 | |
Glycine | α-CH2 (s) | 3.57 | 3.56 | 135.84 | 3.69 | 240.80 | 11.82 |
Ile | β-CH3 (d) | 1.03 | 1.00 | 43.81 | 8.75 | 36.68 | 13.68 |
Lactate | CH3 (d) | 1.35 | 1.31 | 2737.81 | 98.25 | 1950.38 | 238.82 |
CH (q) | 4.14 | 4.09 | 527.75 | 36.47 | 390.44 | 49.93 | |
Leu | γ-CH3 (dd) | 0.98 | 0.95 | 176.43 | 9.18 | 105.66 | 9.56 |
CH2 and CH (m) | 1.77 | 1.71 | 149.40 | 20.52 | 54.86 | 27.83 | |
Methanol | CH3 (s) | 3.37 | 3.35 | 262.02 | 145.77 | 92.50 | 28.61 |
Pyruvate | CH3 (s) | 2.40 | 2.39 | 95.97 | 14.72 | 84.79 | 14.17 |
Succinate | 2 × CH2 (s) | 2.41 | 2.40 | 43.69 | 10.14 | 40.02 | 5.73 |
Taurine | N-CH2 (t) | 3.29 | 3.25 | 844.63 | 35.21 | 851.09 | 33.52 |
S-CH2 (t) | 3.44 | 3.41 | 842.21 | 26.76 | 828.75 | 35.74 | |
UDP-glucose | Glucose 4-CH (m) | 3.50 | 3.45 | 127.82 | 33.61 | 73.28 | 19.22 |
Glucose 6-CH2 (m) | 3.90 | 3.88 | 46.02 | 13.02 | 42.22 | 9.58 |
(s) singlet, (d) doublet, (t) triplet, (q) quartet, (dd) doublet of doublet, (m) multiplet