Spectral skewing in gas chromatography–mass spectrometry: Misconceptions and realities
| Autor: | A. S. Samokhin |
|---|---|
| Rok vydání: | 2018 |
| Předmět: |
Databases
Factual Bilinear interpolation 02 engineering and technology Mass spectrometry 01 natural sciences Biochemistry Chemistry Techniques Analytical Gas Chromatography-Mass Spectrometry Mass Spectrometry Analytical Chemistry Distortion Ions Chromatography Chemistry 010401 analytical chemistry Organic Chemistry Library search General Medicine 021001 nanoscience & nanotechnology 0104 chemical sciences Computational physics Molecular Weight Quadrupole Mass spectrum Gas chromatography–mass spectrometry 0210 nano-technology Mass spectral database |
| Zdroj: | Journal of Chromatography A. 1576:113-119 |
| ISSN: | 0021-9673 |
| DOI: | 10.1016/j.chroma.2018.09.033 |
| Popis: | In the field of gas chromatography-mass spectrometry, linear quadrupole instruments remain the most popular. Quadrupole mass spectrometers are scanning instruments. It means that ions with different m/z values pass through the quadrupole sequentially. When analyte concentration changes during scan period, recorded mass spectrum is distorted. This phenomenon is called spectral skewing. There are two misconceptions associated with the spectral skewing: (1) the spectral skewing can affect the results of library search; (2) bilinear chemometric methods are often applied to skewed (distorted) GC/MS data to perform automatic data processing. We attempt to clarify these misconceptions. We can conclude that even strong distortion of mass spectrum (caused by the spectral skewing) practically does not change efficiency of automatic search against mass spectral database. On the other hand, even minor distortion of data (caused by the spectral skewing) can significantly distort results of automatic data processing (especially in the case of minor components). Interactive Excel files (presented in Supplementary material) illustrate our findings. |
| Databáze: | OpenAIRE |
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