Vibrational spectroscopy is a powerful technique to study the molecular structure and dynamics. It has a great promise to use for medical diagnosis. It is already proved that volatile organic compound contain in breath, reflect the internal chemistry of the body. However, due to the lack of reliable investigation technique, identification and quantification of those molecules are not reached to clinically acceptable parameter. Fourier transform infrared (FTIR) based vibrational spectroscopy has been used to investigate the breath sample. Molecular identification based component analysis of breath sample is proposed.
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