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采用高效液相色谱飞行时间质谱(HPLC-QTOF-MS)对尿液进行代谢组学分析,在流动相中分别添加甲酸,甲酸铵,乙酸铵3种流动相改性剂来考察尿液中代谢物的覆盖范围、离子响应强度和分辨率。通过标准品和质控样品评价手段建立了适用于尿液代谢物分析的方法。在该方法基础上,在流动相中分别添加甲酸、甲酸铵、乙酸铵,正负离子模式下尿液中检测到的离子数分别为1452,1197,714和636,593,947。正离子模式下,添加甲酸后的离子质荷比范围最广为m/z 340.0488±125.7661;负离子模式没有明显差别。在正、负离子模式下,在流动相中添加甲酸和乙酸铵,代谢物覆盖率最高,且离子响应强度和分辨率有所提高。方法已应用于复合农药和壬基酚暴露的尿液代谢组学研究以及可能生物标志物的筛选。
The urine metabolites were analyzed by HPLC-QTOF-MS. Formic acid, ammonium formate and ammonium acetate were respectively added to the mobile phase to evaluate the metabolites in urine Coverage, Ion Response Intensity and Resolution. A method suitable for the analysis of urinary metabolites was established by standard and quality control sample evaluation methods. On the basis of this method, formic acid, ammonium formate and ammonium acetate were respectively added to the mobile phase. The number of ions detected in the urine of positive and negative ions was 1452, 1197, 714 and 636, 593, 947 respectively. Under positive ion mode, the ion-to-charge ratio range of the most formic acid was m / z 340.0488 ± 125.7661 after addition of formic acid. There was no significant difference between negative ion modes. In positive and negative ion mode, formic acid and ammonium acetate were added to the mobile phase with the highest coverage of metabolites and the improved ion response intensity and resolution. The method has been applied to urine metabonomics exposure of compound pesticides and nonylphenol exposure as well as possible biomarker screening.