A nonlinear asymmetric error function‐based least mean square method (NALMS) for the deconvolution of identity and quantity of individual compounds based on the multicomponent mass spectra measured by membrane inlet mass spectrometry (MIMS) was developed and detailed testing results are presented. The method utilizes the complete mass spectra of the compounds present in a reference library during the calculation of a solution for an unknown multicomponent mass spectrum. The results presented here and in our previous publications in which the NALMS method was utilized show that the method can be used to separate complex multicomponent electron ionization mass spectra into their individual constituents, thus considerably improving the selectivity of MIMS.
|Journal||Rapid Communications in Mass Spectrometry|
|Publication status||Published - 1999|
|MoE publication type||A1 Journal article-refereed|
Ketola, R., Ojala, M., Komppa, V., Kotiaho, T., Juujärvi, J., & Heikkonen, J. (1999). A non-linear asymmetric error function-based least mean square approach for the analysis of multicomponent mass spectra measured by membrane inlet mass spectrometry. Rapid Communications in Mass Spectrometry, 13(8), 654-662. https://doi.org/10.1002/(SICI)1097-0231(19990430)13:8<654::AID-RCM537>3.0.CO;2-I