April 4, 2018 at 2 pm in CR, Fort Belvoir, VA: J. M. Wells and R. G. Cooks

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“Logical Operations in Mass Spectrometry for CW and BW Defense”
J. M. Wells, Dalton T Snyder, Lucas J Szalwinski, R. G. Cooks
FLIR Detection, Inc. and Purdue University

We show entirely new modes of operating mass spectrometers that efficiently collect information on sets of compounds characterized by particular functional groups. The capability is illustrated with examples from mixtures containing opioids and CW and BW simulants. The new modes of operation provide more information than standard MS or MS/MS scans, allowing for presumptive ID and/or field confirmation of high consequence targets, even if the exact chemical structure has been modified to defeat existing detector libraries. Furthermore, the new scans are readily implemented on small, field-portable mass spectrometers based on ion traps.

Introduction: Current trends in MS continue to move towards more complex and larger systems, emphasizing prior chromatographic separation and high mass resolution. An alternative approach is to use ambient ionization, with miniature instruments, and to quickly perform unit resolution experiments that instead rely on MS/MS for chemical specificity. Ion traps are particularly appropriate for this due to their relatively compact size. Their applicability to identifying and confirming chemical targets in the field is further enhanced by operating in new MS/MS modes based on secular frequency scanning. These modes use low amplitude swept frequencies in the orthogonal x, y plane of the ion trap, rather than high voltage RF ramps. This approach greatly simplifies ion trap electronics while being more chemically informative than standard modes of operation.