کد مقاله | کد نشریه | سال انتشار | مقاله انگلیسی | نسخه تمام متن |
---|---|---|---|---|
5135351 | 1493421 | 2017 | 10 صفحه PDF | دانلود رایگان |
![عکس صفحه اول مقاله: Optimizing targeted/untargeted metabolomics by automating gas chromatography/mass spectrometry workflows Optimizing targeted/untargeted metabolomics by automating gas chromatography/mass spectrometry workflows](/preview/png/5135351.png)
- Automated analysis of GC-GC/MS data to produce detailed metabolomic databases.
- Mass spectrum subtraction of target compounds to identify non-target compounds.
- Quantitative targeted and non-target analysis by GC/MS analysis.
New database building and MS subtraction algorithms have been developed for automated, sequential two-dimensional gas chromatography/mass spectrometry (GC-GC/MS). This paper reports the first use of a database building tool, with full mass spectrum subtraction, that does not rely on high resolution MS data. The software was used to automatically inspect GC-GC/MS data of high elevation tea from Yunnan, China, to build a database of 350 target compounds. The database was then used with spectral deconvolution to identify 285 compounds by GC/MS of the same tea. Targeted analysis of low elevation tea by GC/MS resulted in the detection of 275 compounds. Non-targeted analysis, using MS subtraction, yielded an additional eight metabolites, unique to low elevation tea.
Journal: Journal of Chromatography A - Volume 1505, 7 July 2017, Pages 96-105