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. 2016 Sep 15;11(9):e0162917. doi: 10.1371/journal.pone.0162917

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