title: [Detection of trace organic compounds by using ion mobility spectrometry and SIMPLISMA].
abstract: Ion mobility spectrometry (IMS) is a sensitive means for detection of trace volatile organic compounds. This technique has been used as a routine method for some organic compounds in forensic science, environmental and pharmaceutical analysis, etc. SIMPLISMA (simple-to-use-interactive self-modeling mixture analysis) is an effective method for large-scale data processing. In the present work, SIMPLISMA has been applied to process IMS data of three methanephosphonate esters. The SIMPLISMA can retain the peak characteristics and eliminate much of the noises of the IMS measurements. The processed spectral data can be subsequently used for other computations, such as curve resolution and pattern recognition etc.
authors.affiliation: Department of Chemistry, Beijing Municipal Key Laboratory of Resource Environment and GIS, Beijing 100037, China.
authors.forename: Zhuo-yong
authors.initials: ZY
authors.lastname: Zhang
authors.forename: Guo-xiang
authors.initials: GX
authors.lastname: Chen
authors.forename: Peter de B
authors.initials: Pde B
authors.lastname: Harrington
mesh_terms: D002623:Chemistry Techniques, Analytical / Q000295:instrumentation / Q000379:methods; D013058:Mass Spectrometry / Q000295:instrumentation / Q000379:methods*; D009930:Organic Chemicals / Q000032:analysis* / Q000737:chemistry; D015203:Reproducibility of Results; D012815:Signal Processing, Computer-Assisted
chemical_list: D009930:Organic Chemicals