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A novel approach to transforming a non-targeted metabolic profiling method to a pseudo-targeted method using the retention time locking gas chromatography/mass spectrometry-selected ions monitoring
Li, Yong1; Ruan, Qiang2; Li, Yanli1; Ye, Guozhu1; Lu, Xin1; Lin, Xiaohui2; Xu, Guowang1
KeywordRetention Time Locking Gas Chromatography/mass Spectrometry Metabolic Profiling Full Scan Selected Ion Monitoring
Source PublicationJOURNAL OF CHROMATOGRAPHY A
2012-09-14
DOI10.1016/j.chroma.2012.01.076
Volume1255Pages:228-236
Indexed BySCI
SubtypeArticle
WOS HeadingsScience & Technology ; Life Sciences & Biomedicine ; Physical Sciences
WOS SubjectBiochemical Research Methods ; Chemistry, Analytical
WOS Research AreaBiochemistry & Molecular Biology ; Chemistry
WOS KeywordFLIGHT MASS-SPECTROMETRY ; PESTICIDE-RESIDUE ANALYSIS ; BIOMARKER DISCOVERY ; GC-MS ; SCAN ; FOOD ; QUANTIFICATION ; IDENTIFICATION ; ADVANTAGES ; GENOMICS
AbstractNon-targeted metabolic profiling is the most widely used method for metabolomics. In this paper, a novel approach was established to transform a non-targeted metabolic profiling method to a pseudo-targeted method using the retention time locking gas chromatography/mass spectrometry-selected ion monitoring (RTL-GC/MS-SIM). To achieve this transformation, an algorithm based on the automated mass spectral deconvolution and identification system (AMDIS), GC/MS raw data and a bi-Gaussian chromatographic peak model was developed. The established GC/MS-SIM method was compared with GC/MS-full scan (the total ion current and extracted ion current, TIC and EIC) methods, it was found that for a typical tobacco leaf extract, 93% components had their relative standard deviations (RSDs) of relative peak areas less than 20% by the SIM method, while 88% by the EIC method and 81% by the TIC method. 47.3% components had their linear correlation coefficient higher than 0.99, compared with 5.0% by the EIC and 6.2% by TIC methods. Multivariate analysis showed the pooled quality control samples clustered more tightly using the developed method than using GC/MS-full scan methods, indicating a better data quality. With the analysis of the variance of the tobacco samples from three different planting regions, 167 differential components (p < 0.05) were screened out using the RTL-GC/MS-SIM method, but 151 and 131 by the EIC and TIC methods, respectively. The results show that the developed method not only has a higher sensitivity, better linearity and data quality, but also does not need complicated peak alignment among different samples. It is especially suitable for the screening of differential components in the metabolic profiling investigation. (C) 2012 Elsevier B.V. All rights reserved.
Language英语
WOS IDWOS:000308524600023
Citation statistics
Cited Times:34[WOS]   [WOS Record]     [Related Records in WOS]
Document Type期刊论文
Identifierhttp://cas-ir.dicp.ac.cn/handle/321008/142964
Collection中国科学院大连化学物理研究所
Affiliation1.Chinese Acad Sci, Dalian Inst Chem Phys, CAS Key Lab Separat Sci Analyt Chem, Dalian 116023, Peoples R China
2.Dalian Univ Technol, Sch Comp Sci & Technol, Dept Comp Sci &Engn, Dalian 116024, Peoples R China
Recommended Citation
GB/T 7714
Li, Yong,Ruan, Qiang,Li, Yanli,et al. A novel approach to transforming a non-targeted metabolic profiling method to a pseudo-targeted method using the retention time locking gas chromatography/mass spectrometry-selected ions monitoring[J]. JOURNAL OF CHROMATOGRAPHY A,2012,1255:228-236.
APA Li, Yong.,Ruan, Qiang.,Li, Yanli.,Ye, Guozhu.,Lu, Xin.,...&Xu, Guowang.(2012).A novel approach to transforming a non-targeted metabolic profiling method to a pseudo-targeted method using the retention time locking gas chromatography/mass spectrometry-selected ions monitoring.JOURNAL OF CHROMATOGRAPHY A,1255,228-236.
MLA Li, Yong,et al."A novel approach to transforming a non-targeted metabolic profiling method to a pseudo-targeted method using the retention time locking gas chromatography/mass spectrometry-selected ions monitoring".JOURNAL OF CHROMATOGRAPHY A 1255(2012):228-236.
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