摘 要:将子窗口因子分析法(SWFA)应用于GC-MS联用检测数据分析,并以两种偶氮染料3,3′-二氯联苯胺和4,4′-次甲基-双-(2-氯苯胺)重叠图谱为例进行了解析。结果表明,此方法可直接进行目标组分的质谱分辨,得到目标组分的质谱图,进而得到该组分的色谱图。其结果准确、可靠。与窗口因子分析相比,子窗口的选择更加容易,人工干预少,解析速度快。
Abstract:Subwindow
factor analysis(SWFA) has been proven to be an effective data
processing technique. In
this paper, it is applied to the resolution of overlapping GC-MS peaks.
A two-component sample of
azobiphenyl dyes (3,3′-dichlorobenzidine,
4,4′-methylene-bis-(2-chloroaniline))
was prepared and a data set from a mixture of azobiphenyl dyes
recorded by GC-MS was obtained. Then
the overlapping GC-MS data were resolved by SWFA.
The results show that
both mass spectrum and chromatogram of components can be resolved from
multicomponent overlapping data. The
resolved spectra were in good consistence with the mass spectra of
standard samples. At
the same time, overlapping GC-MS data were also resolved by WFA.
In Comparing with WFA
technique, SWFA is more convenient, and the speed of resolution could
be increased
Keywords:subwindow
factor analysis; GC-MS; azobiphenyl dye; resolution of overlapping
signal
|
基金项目:国家自然科学基金资助项目(批准号:29975027)
作者简介:邵学广(1963-),男,博士,教授,电话:
(0551)3606160,E-mail: xshao@ustc.edu.cn。
作者单位:邵学广(中国科学技术大学化学系,安徽合肥
230026)
李梅青(中国科学技术大学化学系,安徽合肥
230026)
参考文献:
[1]Malinoski E R. J Chemometrics,
1992,(6):29-40
[2]Cuesta Sanchez F,Rutan S C,Gil Garcia M D,et al. Chemom Intell
Lab Syst,1997,36(2):153-164
[3]Manne R. Chemom Intell Lab Syst,1995,27:89-94
[4]Manne R,Shen H L,Liang Y Z. Chemom Intell Lab Syst,
1999,45:171-176
[5]Burg A W, Charest M C. An evalution of the literature
concerning the potential for carcinogenic properties of bisazobiphenyl
compounds used as dyes. Cambridge(MA,USA):A D Little Inc, 1979. 87-94
[6]Okumura T, Imamura K, Nishikawa Y. J Chromatogr Sci, 1996,
34(4):190-198
[7]Maeder M, Zuberbuhler A D. Anal Chim Acta, 1986,181:287-302
[8]Malinowski E R. J Chemomertrics, 1989,(3):29-40
[9]SHAO Xue-guang,TANG Bing,CAI Wen-sheng, et al. Chinese Journal
of Chromatography, 1998, 16(1):1-5邵学广,唐兵,蔡文生,等.
色谱, 1998, 16(1):1-5
[10]Kvalheim O M, Liang Y Z. Anal Chem, 1992,64(8):936-946
|
|