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学科主题: 分析化学
题名: A novel approach for non-targeted metabolic profiling using retention time locking selected ion monitoring gas chromatography-mass spectrometry
作者: Li Y(李勇) ;  Lin XH(林晓惠) ;  Ruan Q(阮强) ;  Zhou J(周佳) ;  Lu X(路鑫) ;  Xu GW(许国旺)
会议文集: Proceeding of HPLC 2011
会议名称: 37th International Symposium on High Performance Liquid Phase Separations and Related Techniques
会议日期: 2011-10-8
出版日期: 2011
会议地点: 大连
通讯作者: 许国旺
出版者: 待补充
出版地: 待补充
合作性质: 墙报
部门归属: 1808
主办者: 中国化学会色谱专业委员会
摘要: Metabolomics has been a useful tool for biomarker discovery, disease mechanism investigation, food safety research, and so on. It aims to unbiased quantification and identification of metabolites existed in body fluids or tissues. Gas chromatography-mass spectrometry (GC-MS), with its powerful ability for metabolites separation and identification, has been widely used for metabolic investigation. Traditionally, the GC-MS based metabolic investigation can be divided into the non-targeted profiling of the whole metabolome with a full scan MS data acquisition mode and the targeted analysis of the interested metabolites with a selected ion monitoring (SIM) acquisition mode. The full scan based GC-MS profiling method ensures the acquisition of quantitative and qualitative information simultaneously. However, data acquired with this mode have significant low sensitivity than those of SIM mode due to the low scan speed of the quadrupole MS, the most widely used detector of GC/MS instrument. The other kind of GC/MS detector, time of flight (TOF) MS, known for its high scan speed, has narrower dynamic range than quadrupole MS. As the concentration distribution of metabolites in an organism ranges several orders of magnitude, the response of the low or the high concentration metabolites can hardly be acquired quantitatively with a full scan acquisition method. The SIM method with better sensitivity can expand the quantitation limit of the MS detector. Nevertheless, the SIM method based non-targeted profiling method has not been published yet owning to the unknown of SIM targets and their quantitation ions. In this study, a new strategy based on the combination of full scan and SIM acquisition mode was developed for the metabolic profiling analysis. Firstly, the quality control (QC) sample, the mixture of evenly blended equal amounts of the samples to be analyzed, was analyzed using a full scan mode and the metabolites were identified. Then, an algorithm was developed and used for the quantitation ions selection of the initially identified metabolites. In the end, the SIM method was established and the quantitation data of the rest samples were acquired. The retention time locking technique used in the present method ensured the retention time of the eluted components constant in the process of the batch samples analysis so that the SIM time group could be constructed. The method for quantitative ions selection was discussed and the developed method was then compared with the full scan based metabolic profiling method. The comparison result show that the developed method is a better solution for GC-MS based non-targeted profiling.
英文摘要: Metabolomics has been a useful tool for biomarker discovery, disease mechanism investigation, food safety research, and so on. It aims to unbiased quantification and identification of metabolites existed in body fluids or tissues. Gas chromatography-mass spectrometry (GC-MS), with its powerful ability for metabolites separation and identification, has been widely used for metabolic investigation. Traditionally, the GC-MS based metabolic investigation can be divided into the non-targeted profiling of the whole metabolome with a full scan MS data acquisition mode and the targeted analysis of the interested metabolites with a selected ion monitoring (SIM) acquisition mode. The full scan based GC-MS profiling method ensures the acquisition of quantitative and qualitative information simultaneously. However, data acquired with this mode have significant low sensitivity than those of SIM mode due to the low scan speed of the quadrupole MS, the most widely used detector of GC/MS instrument. The other kind of GC/MS detector, time of flight (TOF) MS, known for its high scan speed, has narrower dynamic range than quadrupole MS. As the concentration distribution of metabolites in an organism ranges several orders of magnitude, the response of the low or the high concentration metabolites can hardly be acquired quantitatively with a full scan acquisition method. The SIM method with better sensitivity can expand the quantitation limit of the MS detector. Nevertheless, the SIM method based non-targeted profiling method has not been published yet owning to the unknown of SIM targets and their quantitation ions. In this study, a new strategy based on the combination of full scan and SIM acquisition mode was developed for the metabolic profiling analysis. Firstly, the quality control (QC) sample, the mixture of evenly blended equal amounts of the samples to be analyzed, was analyzed using a full scan mode and the metabolites were identified. Then, an algorithm was developed and used for the quantitation ions selection of the initially identified metabolites. In the end, the SIM method was established and the quantitation data of the rest samples were acquired. The retention time locking technique used in the present method ensured the retention time of the eluted components constant in the process of the batch samples analysis so that the SIM time group could be constructed. The method for quantitative ions selection was discussed and the developed method was then compared with the full scan based metabolic profiling method. The comparison result show that the developed method is a better solution for GC-MS based non-targeted profiling.
内容类型: 会议论文
URI标识: http://cas-ir.dicp.ac.cn/handle/321008/116069
Appears in Collections:中国科学院大连化学物理研究所_会议论文

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Recommended Citation:
Li Y,Lin XH,Ruan Q,et al. A novel approach for non-targeted metabolic profiling using retention time locking selected ion monitoring gas chromatography-mass spectrometry[C]. 见:37th International Symposium on High Performance Liquid Phase Separations and Related Techniques. 大连. 2011-10-8.
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