Quantitative Applications of Mass Spectrometry

Professor Pietro Traldi, Research Executive, National Council of Research, CNR, ISTM Corso Stati Uniti 4 I35127 Padova, Italy Fields of interest include structure and reactivity of gaseous ions; -MS application in environmental and biomedical fields; Development of new analytical methods; Instrumental developments. Pietro Traldi is author of over 500 publications on international journals; he is member of the advisory boards of JMS, MSR, RCM and EMS. He is the promoter and the chairman of the Informal Meeting of Mass Spectrometry. Professor Irma Lavagnini, Associate Professor in Analytical Chemistry, Faculty of Pharmacy. Scientific research focus is Chemical data handling Professor Franco Magno, Padua University, Italy, Full Professor of Analytical Chemistry since 1980. Main research areas in electroanalytical techniques; Development and application of the digital simulation techniques to rationalize voltammetric responses; Development and optimization of analytical procedures to determine species of relevant enviromental and/or industrial interest. Dr Roberta Seraglia, National Council of Research, Padova, Italy, Researcher of CNR, Institute of Molecular Sciences and Technologies, Padova. 130 papers published in International Journals and 160 communications at International and National congresses.

Preface. Acknowledgements. Introduction. 1 What Instrumental Approaches are Available. 1.1 Ion Sources. 1.1.1 Electron Ionization. 1.1.2 Chemical Ionization. 1.1.3 Atmospheric Pressure Chemical Ionization. 1.1.4 Electrospray Ionization. 1.1.5 Atmospheric Pressure Photoionization. 1.1.6 Matrix-assisted Laser Desorption/Ionization. 1.2 Mass Analysers. 1.2.1 Mass Resolution. 1.2.2 Sector Analysers. 1.2.3 Quadrupole Analysers. 1.2.4 Time-of-flight. 1.3 GC/MS. 1.3.1 Total Ion Current (TIC) Chromatogram. 1.3.2 Reconstructed Ion Chromatogram (RIC). 1.3.3 Multiple Ion Detection (MID). 1.4 LC/MS. 1.5 MS/MS. 1.5.1 MS/MS by Double Focusing Instruments. 1.5.2 MS/MS by Triple Quadrupoles. 1.5.3 MS/MS by Ion Traps. 1.5.4 MS/MS by Q-TOF. References. 2 How to Design a Quantitative Analysis. 2.1 General Strategy. 2.1.1 Project. 2.1.2 Sampling. 2.1.3 Sample Treatment. 2.1.4 Instrumental Analysis. 2.1.5 Method Validation. References. 3 How to Improve Specificity. 3.1 Choice of a Suitable Chromatographic Procedure. 3.1.1 GC/MS Measurements in Low and High Resolution Conditions. 3.1.2 LC/ESI/MS and LC/APCI/MS Measurements. 3.2 Choice of a Suitable Ionization Method. 3.3 An Example of High Specificity and Selectivity Methods: The Dioxin Analysis. 3.3.1 Use of High Resolution MID Analysis. 3.3.2 NICI in the Analysis of Dioxins, Furans and PCBs. 3.3.3 MS/MS in the Detection of Dioxins, Furans and PCBs. 3.4 An Example of MALDI/MS in Quantitative Analysis of Polypeptides: Substance P. References. 4 Some Thoughts on Calibration and Data Analysis. 4.1 Calibration Designs. 4.2 Homoscedastic and Heteroscedastic Data. 4.2.1 Variance Model. 4.3 Calibration Models. 4.3.1 Unweighted Regression. 4.3.2 Weighted Regression. 4.3.3 A Practical Example. 4.4 Different Approaches to Estimate Detection and Quantification Limits. References. Index.