Dp. Fergenson et al., SPECTRASORT - A DATA-ANALYSIS PROGRAM FOR REAL-TIME AEROSOL ANALYSIS BY AEROSOL TIME-OF-FLIGHT MASS-SPECTROMETRY, Chemometrics and intelligent laboratory systems, 37(1), 1997, pp. 197-203
A computer program, SpectraSort, has been written to facilitate the an
alysis of ambient aerosol data acquired in our laboratory using aeroso
l time-of-flight mass spectrometry (ATOFMS). ATOFMS is a unique aeroso
l analysis technique developed to obtain the size and chemical composi
tion of individual aerosol particles. Conventional aerosol analysis me
thods can only provide the average chemical composition of many partic
les for a given size range, or the size of individual particles, but n
ot their chemical composition. Knowledge of both the size and composit
ion of individual aerosol particles ultimately will help evaluate part
icle toxicity and reactivity, as well as assist in the identification
of particle emission sources. These three pieces of information are vi
tal in any rigorous attempt to regulate particulate pollution in the a
tmosphere. At present, in ATOFMS data analysis, each individual partic
le mass spectrum must be calibrated manually, and any compositional in
formation tabulated for subsequent correlation with the size of the co
rresponding particle. SpectraSort greatly facilitates the processing o
f particle size and composition information by maximizing the efficien
cy of manual classification; but, a fully automated solution is necess
ary if ATOFMS is to evolve into a routine real-time aerosol analysis t
ool.