Figure 1. Typical 600 MHz 1H NMR spectra of urine obtained from a patient with acute pancreatitis and alcoholic background (A) and a non-AP patient with cholecystitis (B). Sections from the NMR spectra (raw data) show the metabolite differences describing the physical condition. Key: 1, hippurate; 2, acetaminophen sulfate (AS); 3, acetaminophen glucuronide (AG); 4, acetaminophen (A); 5, Nacetylcysteine conjugate of acetaminophen (NAC); 6, creatinine; 7, guanidinoacetate; 8, glycine; 9, trimethylamine-N-oxide (TMAO); 10, dimethylamine; 11, citrate; 12, D-3-hydroxybutyrate; 13, ethanol; 14, acetone; 15, alanine; 16, succinate; 17, 3-hydroxyisovalerate; 18, malonic acid; 19, creatine.
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