Urinary exposure marker discovery for toxicants using ultra-high pressure liquid chromatography coupled with Orbitrap high resolution mass spectrometry and three untargeted metabolomics approaches
作者: Jen-Yi HsuJing-Fang HsuYet-Ran ChenChia-Lang ShihYi-Sheng HsuYi-Jen ChenShu-Han TsaiPao-Chi Liao
作者单位: 1Department of Environmental and Occupational Health, College of Medicine, National Cheng Kung University, 138 Sheng-Li Road, Tainan 704, Taiwan
2Agricultural Biotechnology Research Center, Academia Sinica, Taipei 11529, Taiwan
刊名: Analytica Chimica Acta, 2016, Vol.939 , pp.73-83
来源数据库: Elsevier Journal
DOI: 10.1016/j.aca.2016.07.032
关键词: BiomonitoringMetabolomicsOrbitrapSignal mining algorithm with isotope tracing (SMAIT)Mass defect filtering (MDF)XCMS online
英文摘要: Abstract(#br)Human biomonitoring is the assessment of actual internal contamination of chemicals by measuring exposure markers, chemicals or their metabolites, in human urine, blood, serum, and other body fluids. However, the metabolism of chemicals within an organism is extremely complex. Therefore, the identification of metabolites is often difficult and laborious. Several untargeted metabolomics methods have been developed to perform objective searching/filtering of accurate-mass-based LC-MS data to facilitate metabolite identification. In this study, three metabolomics data processing approaches were used for chemical exposure marker discovery in urine with an LTQ-Orbitrap high-resolution mass spectrometry (HRMS) dataset; di-isononyl phthalate (DINP) was used as an example. The data...
全文获取路径: Elsevier  (合作)
影响因子:4.387 (2012)