Wu, Yizi; Wei, Weiwei; Yang, Huawu; Chen, Zengping; Zou, You; Li, Yanchun; Tuo, Suxing; Yin, Shuangfeng; Zhong, Kejun published an article in 2018, the title of the article was Gas chromatography-mass spectrometry data analysis algorithm based on sparse model and its application in resolving severely overlapped peaks.Formula: C8H10N2 And the article contains the following content:
A gas chromatog.-mass spectrometry (GC-MS) data anal. algorithm is proposed. The mass spectrum at the top of the chromatog. peak is the spectrum to be solved. A certain amount of related reference spectra is retrieved from the spectral library, and then, the equation of the chromatog. response value of each pure component is solved. A step-by-step strategy is used for the mass spectra retrieval. Firstly, an efficient indexing technol. is used for rough selection, and then, the “strong peak out with high probability” and the “extrusion” rules are used to exclude more unrelated mass spectra. A regression algorithm based on a sparse model is proposed to solve the equation of the chromatog. response value. Compared with the traditional algorithm, this algorithm can extract the main structure of the spectrum to be solved, and avoid over-fitting. The exptl. results show that the proposed algorithm has a higher accuracy and smaller residual reference spectrum set, and the sparse model achieves satisfactory exptl. results in the anal. of severely overlapped peaks. The proposed method provides an effective solution for resolving overlapped peaks, especially severely overlapped peaks, in GC-MS data. The experimental process involved the reaction of 5,6,7,8-Tetrahydroquinoxaline(cas: 34413-35-9).Formula: C8H10N2
The Article related to gc ms data analysis algorithm, gas chromatography-mass spectrometry (gc-ms), mass spectrometry retrieval, severely overlapped peaks, sparse model, Organic Analytical Chemistry: Determinations and other aspects.Formula: C8H10N2
Referemce:
Quinoxaline – Wikipedia,
Quinoxaline | C8H6N2 | ChemSpider