Peak finding and referencing in MCC/IMS-data

Major questions of all investigations of analytes using ion mobility spectrometer (IMS) are peak finding and in case of proper finding the reliable referencing. In case of rather complex mixtures like human breath or water impurities, automatic procedures should be found to support peak finding and referencing. A visualisation software tool will be described bringing the summarised results of peak finding methods and the reference lists used as input to data bases together in a single system. The details of the software developed are described briefly and the procedures behind are referenced.

[1]  Jundong Liu,et al.  SIMPLISMA and ALS applied to two-way nonlinear wavelet compressed ion mobility spectra of chemical warfare agent simulants. , 2005, Analytical chemistry.

[2]  Peter de B. Harrington,et al.  Two-dimensional wavelet compression of ion mobility spectra , 2001 .

[3]  Rafik Goubran,et al.  Experimental signal analysis in ion mobility spectrometry , 1991 .

[4]  Jörg Ingo Baumbach,et al.  Detection of human metabolites using multi-capillary columns coupled to ion mobility spectrometers. , 2005, Journal of chromatography. A.

[5]  Teri Hiltunen,et al.  Multivariate modelling of fish freshness index based on ion mobility spectrometry measurements , 2005 .

[6]  Z. Karpas,et al.  Ion mobility spectrometry , 1993, Breathborne Biomarkers and the Human Volatilome.

[7]  S. Bader.  Identification and quantification of peaks in spectrometric data , 2008 .

[8]  Nikhil Mirjankar,et al.  Pattern recognition analysis of differential mobility spectra with classification by chemical family. , 2006, Analytica chimica acta.

[9]  G. Eiceman,et al.  Classification of ion mobility spectra by functional groups using neural networks. , 1999, Analytica chimica acta.

[10]  J I Baumbach,et al.  Process analysis using ion mobility spectrometry , 2006, Analytical and bioanalytical chemistry.

[11]  Peter de B. Harrington,et al.  SIMPLISMA applied to two-dimensional wavelet compressed ion mobility spectrometry data , 2003 .

[12]  Robert T. Kroutil,et al.  Application of digital filters to process data for ion mobility spectrometry , 1990 .

[13]  John R. Griffiths,et al.  Ion mobility spectrometry: a review. Part 1. Structural analysis by mobility measurement , 2004 .

[14]  Jörg Ingo Baumbach,et al.  ION MOBILITY SPECTROMETRY: A NEW METHOD FOR THE DETECTION OF LUNG CANCER AND AIRWAY INFECTION IN EXHALED AIR? FIRST RESULTS OF A PILOT STUDY , 2005 .

[15]  J I Baumbach,et al.  Ion mobility spectrometry in the diagnosis of sarcoidosis: results of a feasibility study. , 2007, Journal of physiology and pharmacology : an official journal of the Polish Physiological Society.

[16]  J. I. Baumbach,et al.  Exemplar application of multi-capillary column ion mobility spectrometry for biological and medical purpose , 2008 .

[17]  Evan R Williams,et al.  Peak deconvolution in high-field asymmetric waveform ion mobility spectrometry (FAIMS) to characterize macromolecular conformations. , 2007, International journal of mass spectrometry.

[18]  M. L. Glasser,et al.  Peak shape analysis for ion mobility spectroscopy , 1988 .

[19]  Libo Cao,et al.  Nonlinear wavelet compression of ion mobility spectra from ion mobility spectrometers mounted in an unmanned aerial vehicle. , 2004, Analytical chemistry.

[20]  J. Stach,et al.  Ion Mobility Spectrometry - Basic Elements and Applications , 2002 .

[21]  Jan Baumbach,et al.  IMS2 – An integrated medical software system for early lung cancer detection using ion mobility spectrometry data of human breath , 2007 .

[22]  S. Bader,et al.  PROCESSING ION MOBILITY SPECTROMETRY DATA TO CHARACTERIZE GROUP DIFFERENCES IN A MULTIPLE CLASS COMPARISON , 2005 .

[23]  John Krogstie.  Mobile Information Systems II - IFIP International Working Conference on Mobile Information Systems, MOBIS 2005, Leeds, UK, December 6-7, 2005 , 2005, MOBIS.

[24]  Robert G. Ewing,et al.  Connectionist hyperprism neural network for the analysis of ion mobility spectra: An empirical evaluation , 1993, J. Chem. Inf. Comput. Sci..

[25]  J. I. Baumback,et al.  Exchange, interpretation, and database-search of ion mobility spectra supported by data format JCAMP-DX , 1995 .

[26]  Helko Borsdorf,et al.  Ion Mobility Spectrometry: Principles and Applications , 2006 .

[27]  Peter de B. Harrington,et al.  Two-Dimensional Fourier Compression , 1997 .

[28]  Daniel E. Austin,et al.  Ion Mobility Spectrometer / Mass Spectrometer (IMS-MS). , 2005 .

[29]  Hartwig Schmidt,et al.  JCAMP-DX. A standard format for the exchange of ion mobility spectrometry data (IUPAC Recommendations 2001) , 2001 .

[30]  Jörg Ingo Baumbach,et al.  Preprocessing of ion mobility spectra by lognormal detailing and wavelet transform , 2008 .

[31]  Zvi Boger,et al.  Application of neural networks for interpretation of ion mobility and x-ray fluorescence spectra , 1994 .

[32]  Jörg Ingo Baumbach,et al.  Reduction of ion mobility spectrometry data by clustering characteristic peak structures , 2006 .

[33]  G. Eiceman,et al.  Ion Mobility Spectrometry: Arriving on Site and Moving beyond a Low Profile , 1999, Applied spectroscopy.