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
Yong LiGuowang Xu

Abstract

Non-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 ...Continue Reading

References

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Citations

Feb 16, 2016·Environmental Science & Technology·Feidi WangJiping Chen
Jun 23, 2015·Phytochemical Analysis : PCA·Amir AkhgariHeiko Rischer
Jul 31, 2016·Analytical and Bioanalytical Chemistry·Yang ZhouGuowang Xu
Feb 15, 2018·International Journal of Cancer. Journal International Du Cancer·Yaping ShaoGuowang Xu
May 4, 2013·Expert Review of Molecular Diagnostics·Peiyuan Yin, Guowang Xu
Nov 26, 2020·Mass Spectrometry Reviews·Wei Han, Liang Li
Dec 16, 2020·Scientific Reports·Rosa Alba Sola MartínezTeresa de Diego Puente
Jul 4, 2020·Journal of Chromatography. B, Analytical Technologies in the Biomedical and Life Sciences·Hanxu WuChang Wang

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