Pitfalls and Complexity of Biomarker Discovery using LC-MS Based Untargeted Metabolomics: Revealed by a Mimicked Metabolomics Study

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	Pitfalls and Complexity of Biomarker Discovery using LC-MS Based Untargeted Metabolomics: Revealed by a Mimicked Metabolomics Study
	Zhang, P.; Ang, I. L. ; Lam, M. M. T.; Wei, R.; Lei, K. ; Poon, C. W.
	2018-06-08
Source Publication	5th Macau Symposium on Biomedical Sciences 2018
Abstract	Liquid chromatography–mass spectrometry (LC-MS) based untargeted metabolomics has been widely applied in clinical laboratory to discover metabolic related biomarkers for disease diagnosis. However, the reliability biomarker selection using LC-MS based metabolomics is lack of systematically investigation. In this context, we examined the reliability of LC-High Resolution MS (LC-HR MS) based metabolomics in biomarker discovery through a mimicked metabolomics study. By spiking the 22 different metabolite standards, serving as “true” biomarkers, into a pooled human plasma sample for creation of two groups of plasma samples containing a differential pattern of 22 known biomarkers. Using a typical metabolomic and bioinformatic workflow, our results revealed that “false” biomarkers were consistently observed and 10 times more than the “true” biomarkers at 5% false discovery rate. The identities of the “false” biomarkers were uncovered by tandem MS. The “false” biomarkers were mainly caused by technical artifacts and complex interactions among the metabolites, salt and environmental contaminants. Finally, we proposed a strategy for minimizing the discovery of false biomarkers in untargeted metabolomic studies.
Keyword	Metabolomics Metabolite Mass Spectrometry Blood Biomarker
Language	英語English
The Source to Article	PB_Publication
PUB ID	41784
Document Type	Conference paper
Collection	DEPARTMENT OF BIOMEDICAL SCIENCES
Corresponding Author	Poon, C. W.
Recommended Citation GB/T 7714	Zhang, P.,Ang, I. L. ,Lam, M. M. T.,et al. Pitfalls and Complexity of Biomarker Discovery using LC-MS Based Untargeted Metabolomics: Revealed by a Mimicked Metabolomics Study[C], 2018.
APA	Zhang, P.., Ang, I. L. ., Lam, M. M. T.., Wei, R.., Lei, K. ., & Poon, C. W. (2018). Pitfalls and Complexity of Biomarker Discovery using LC-MS Based Untargeted Metabolomics: Revealed by a Mimicked Metabolomics Study. 5th Macau Symposium on Biomedical Sciences 2018.

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