Journal of Toxicology

Research Article

Specific Metabolic Fingerprint of a Dietary Exposure to a Very Low Dose of Endosulfan

Table 1

1H and 13C resonance assignments with chemical shifts, multiplicity, and -couplings for signals identified in plasma, bone marrow, and liver in mice.
Compound ppm (multiplicity, coupling constant, assignment)/ ppmBiological matrice
Acetate1.92 (s, CH3)/25.9Liver, bone marrow
Alanine1.48 (d, = 7.1 Hz, CH3)/18.9; 3.78 (q, = 7.2 Hz, CH)/53.1Liver, plasma
ATP/ADP/AMP4.51 (m, CH2)/73.3; 6.15 (d, = 5.9 Hz, CH)/89.5; 8.27 (s, CH, ring)/155.2; 8.58 (s, CH, ring)/142.6Liver, bone marrow
Betaine3.27 (s, CH3)/56.1; 3.91 (s, CH2)/68.9; Liver
Choline3.22 (s, N(CH3)3)/56.9; 3.52 (m, NCH2)/70.0; 4.05 (m, CH2)/58.3Liver, plasma, bone marrow
Citrate2.54 (d, = 15 Hz, 2CH)/48.7; 2.70 (d, = 15 Hz, 2CH)/48.7Plasma, bone marrow
Creatine3.93 (s, CH2)/56.4; 3.03 (s, CH3)/39.9Liver, plasma, bone marrow
-Glucose3.41 (m, CH)/72.3; 3.54 (m, CH)/73.9; 3.71 (m, CH)/75.4; 3.83 (m, CH)/74.2; 3.84 (m, CH)/63.3; 5.23 (d, CH, = 3.8 Hz)/94.8Liver, plasma
-Glucose3.25 (m, CH)/76.9; 3.41 (m, CH)/72.3; 3.48 (m, CH)/78.4; 3.73 (m, CH)/63.3; 3.90 (m, CH)/63.4; 4.64 (d, CH, = 8 Hz)/98.6Liver, plasma
Glutamate2.06 (m, CH2)/29.6; 2.36 (m, CH2)/36.1; 3.78 (m, CH)/56.7Liver, bone marrow
Glutamine2.16 (m, CH2)/29.1; 2.46 (m, CH2)/33.6; 3.78 (m, CH)/56.7Liver, plasma, bone marrow
Glutathione (oxidized)2.18 (m, CH2)/29.1; 2.55 (m, CH2)/34.2; 2.98 (m, CH)/41.7; 3.31 (m, CH)/41.6; 3.78 (m, CH2)/46.2; 3.78 (m, CH)/56.7Liver, bone marrow
Glycerophosphocholine3.22 (s, N(CH3)3)/56.9; 3.68 (m, NCH2)/68.9; 4.33 (m, CH2)/62.1Liver, plasma, bone marrow
Glycine3.56 (s, CH2)/44.3Liver, plasma, bone marrow
Glycogen3.66 (m, CH)/79.3; 3.98 (m, CH)/75.8; 5.41 (m, CH)/102.2;Liver
Inosine4.28 (m, CH)/88.2; 4.44 (m, CH)/73.1; 6.11 (d, = 5.7 Hz, CH ring)/90.9; 8.23 (s, CH ring)/148.9; 8.32 (s, CH ring)/142.7Liver
Isoleucine0.93 (t, = 7.2 Hz, CH3)/13.9; 0.99 (d, = 7.2 Hz, CH3)/17.4Liver, plasma
Lactate1.33 (d, = 7.2 Hz, CH3)/22.9; 4.11 (q, = 7.2 Hz, CH)/71.2Liver, plasma, bone marrow
Leucine0.94 (d, = 6 Hz, CH3)/23.6; 0.97 (d, = 6 Hz, CH3)/24.7; 1.71 (m, CH)/27.3; 1.71 (m, CH2)/42.6Liver, plasma
Lipids0.88 (m, CH3); 1.30 (m, (CH2)n); 1.40 (m, CH2); 5.30 (m, CH = CH)Plasma, bone marrow
Lipids (LDL, VLDL) 0.87 (m, CH3)/14.7; 1.28 (m, CH2)/34.6;Plasma
Lysine1.48 (m, CH2)/24.6; 1.72 (m, CH2)/29.1;1.91 (m, CH2)/32.7; 3.01 (m, CH2)/42.1Liver, plasma, bone marrow
Methionine2.12 (s, CH3); 2.18 (m, CH2); 2.64 (t, = 7.2 Hz, CH2)Plasma
Nicotinic acid 7.60 (dd, = 7.9 and 5 Hz, CH ring); 8.25 (m, CH ring); 8.58 (m, CH ring); 8.92 (s, CH ring)Liver
Phenylalanine7.43 (t, = 7 Hz, CH ring); 7.38 (t, = 7 Hz, CH ring); 7.32 (d, = 7 Hz, CH ring)Liver, plasma, bone marrow
Phosphorylcholine3.22 (s, N(CH3)3)/56.9; 3.60 (m, CH2)/69.4; 4.18 (m, CH2)/60.7Liver, plasma, bone marrow
Succinate 2.41 (s)/36.8Liver
Taurine3.26 (t, = 7.3 Hz, CH2)/49.9; 3.43 (t, = 7.3 Hz, CH2)/38.1Liver, plasma, bone marrow
Tyrosine 6.90 (m, CH ring); 7.18 (m, CH ring)Liver, plasma, bone marrow
Uridine 4.14 (m, CH)/86.9; 4.38 (m, CH)/76.4; 5.88 (m, CH ring)/104.9; 5.90 (m, CH)/92.1; 7.88 (d, = 8.10 Hz, CH ring)/144.5;Liver
Valine0.99 (d, = 7 Hz,CH3)/19.5; 1.05 (d, = 7 Hz,CH3)/20.7; 2.28 (m, CH)/31.9Liver, plasma