Advances in high resolution GC-MS technology: a focus on the application of GC-Orbitrap-MS in metabolomics and exposomics for FAIR practices

被引:35
作者
Misra, Biswapriya B. [1 ]
机构
[1] Pine 211,Raintree Pk Dwaraka Krishna, Namburu 522508, AP, India
关键词
CHROMATOGRAPHY-MASS-SPECTROMETRY; 2-DIMENSIONAL GAS-CHROMATOGRAPHY; PESTICIDE-RESIDUE ANALYSIS; ELECTRON IONIZATION; COMPUTATIONAL TOOL; LIBRARY SEARCH; PEAK DETECTION; TOF-MS; IDENTIFICATION; DECONVOLUTION;
D O I
10.1039/d1ay00173f
中图分类号
O65 [分析化学];
学科分类号
070302 ; 081704 ;
摘要
Gas chromatography-mass spectrometry (GC-MS) provides a complementary analytical platform for capturing volatiles, non-polar and (derivatized) polar metabolites and exposures from a diverse array of matrixes. High resolution (HR) GC-MS as a data generation platform can capture data on analytes that are usually not detectable/quantifiable in liquid chromatography mass-spectrometry-based solutions. With the rise of high-resolution accurate mass (HRAM) GC-MS systems such as GC-Orbitrap-MS in the last decade after the time-of-flight (ToF) renaissance, numerous applications have been found in the fields of metabolomics and exposomics. In a short span of time, a multitude of studies have used GC-Orbitrap-MS to generate exciting new high throughput data spanning from diverse basic to applied research areas. The GC-Orbitrap-MS has found application in both targeted and untargeted efforts for capturing metabolomes and exposomes across diverse studies. In this review, I capture and summarize all the reported studies to date, and provide a snapshot of the milieu of commercial and open-source software solutions, spectral libraries, and informatics solutions available to a GC-Orbitrap-MS system instrument user or a data analyst dealing with these datasets. Lastly, but importantly, I provide an account on data sharing and meta-data capturing solutions that are available to make HRAM GC-MS based metabolomics and exposomics studies findable, accessible, interoperable, and reproducible (FAIR). These FAIR practices would allow data generators and users of GC-HRMS instruments to help the community of GC-MS researchers to collaborate and co-develop exciting tools and algorithms in the future.
引用
收藏
页码:2265 / 2282
页数:18
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