Multidimensional molecular identification by laser control mass spectrometry

Controlled molecular photofragmentation and ionization achieved with shaped femtosecond laser pulses is coupled with mass spectrometry to achieve a powerful multidimensional tool for fast, accurate, reproducible and quantitative molecular identification. Specific pulse shaping functions are introduced to enhance structure-dependent differences in fragmentation fingerprints. Identification of geometric and structural isomer mixtures is demonstrated. Receiver operational (ROC) curves from our experimental data demonstrate the enhanced reliability that can be achieved by femtosecond laser control mass spectrometry. The potential use of this method for identification of chemicals and explosives with no false alarms is discussed.