期刊
JOURNAL OF CHROMATOGRAPHY A
卷 1505, 期 -, 页码 96-105出版社
ELSEVIER SCIENCE BV
DOI: 10.1016/j.chroma.2017.05.017
关键词
Annotated database building; MS subtraction; Spectral deconvolution; GC-GC/MS; GC/MS
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. (C) 2017 Elsevier B.V. All rights reserved.
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