两种气相色谱质谱联用技术在人体尿液代谢组学研究中的应用对比  

Comparative study of GC/QTOF-MS and GC/Q-MS in human metabonomics of urine

作　　者：王晶[1,2] 杨杏芬[1] Ong Choon Nam 高亮[3] 高燕红[1] 梁旭霞[1] 许瑛华[1] 汤柳英[4] 陈文才[4] 

机构地区：[1]广东省疾病预防控制中心,广东广州511430 [2]中山大学公共卫生学院 [3]新加坡国立大学公共卫生学院 [4]暨南大学医学院预防医学系

出　　处：《环境与健康杂志》2015年第4期342-346,377,共5页Journal of Environment and Health

基　　金：原卫生部国家卫生行业公益性科研专项(201302005);国家自然科学基金(81273102)

摘　　要：目的对比研究气相色谱-四极杆飞行时间串联质谱(GC/QTOF-MS)法与气相色谱-四极杆质谱(GC/Q-MS)法在人体尿液代谢组学研究中的应用。方法将采集到的94份环境镉暴露人群与对照人群尿液样品采用相同的前处理,通过两种气质联用技术采集质谱数据,比较两组人群尿液代谢组谱图差异,并利用质谱数据建立模式识别模型,考察建模效果。结果 GC/QTOF-MS技术采集到的尿液代谢组信息较GC/Q-MS技术更为丰富、全面;基于GC/QTOF-MS的数据建立的偏最小二乘模型(R2Y=0.757,Q2=0.5)效果不及基于GC/Q-MS的数据建立的模型(R2Y=0.875,Q2=0.558)。结论 GC/QTOF-MS法具有超高的分辨率与质量准确度,决定该技术在代谢组学研究中的代谢产物识别与结构鉴定方面有着传统GC/Q-MS法无法比拟的优势;但该技术由于较传统GC/Q-MS技术能够采集更多的碎片离子,而显著加强了碎片子离子之间存在的共线性关系,导致模式识别建模效果有所下降,但在代谢组学研究中仍然充满应用前景。Objective To perform a comparative study in human urine metabolomics with gas chromatography/quadrupole time of flight mass spectrometry（GC/QTOF-MS） and gas chromatography/quadrupole mass spectrometry（GC/Q-MS）. Methods The mass spectrum data of 94 samples from environmental cadmium exposure group and control group was collected by GC/QTOFMS and GC/Q-MS, and the differences of urine metabolic profile in two groups were evaluated by the total ion chromatography（TIC） spectrum and the pattern recognition models（partial least square, PLS） based on the raw mass spectrometry data. Results The peaks in TIC acquired by GC/QTOF-MS were more than by GC/Q-MS,the GC/QTOF-MS partial least square model（R2Y=0.757,Q2=0.5） was better than GC/Q-MS model（R2Y=0.875,Q2=0.558）. Conclusion GC/QTOF-MS is advanced in resolution and mass accuracy than GC/Q-MS,and is very suitable for metabolite structural identification in metabonomics,the fragment ions acquired by GC/QTOF-MS are more than by GC/Q-MS for its high resolution and ions acquisition principle,which significantly strengthens the collinear relations among the fragment ions contrast to GC/Q-MS,the collinear relations may decrease the prediction of the pattern recognition model,but GC/QTOF-MS is still full of prospect in metabonomics for its stronger capability in metabolite structural identification

关 键 词：代谢组学 气相色谱-质谱 气相色谱-四级杆飞行时间质谱 人体尿液 

分 类 号：O657.6[理学—分析化学]