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Title: Peak Matching for Direct Analyisis in Real Time Mass Spectrometry (DART-MS)

Abstract: Direct Analysis in Real Time Mass Spectrometry (DART-MS) is a new technology that is a
candidate for chemical identification in many applications including forensic science. DART-MS
rapidly produces multiple spectral measurements of a compound or analyte at various
fragmentation levels. We propose a method of compound identification using DART-MS that
uses probability distributions that takes advantage of replicate measurements, one of the
desirable characteristics of DART-MS, by identifying peaks with probability distributions. We
present results of discriminating structurally similar compounds using our technique and
compare it to currently employed methods.

Bio:  Dr. Matthew Jacob Roberts, or Jake Roberts, is a research staff member (RSM) at the Institute
for Defense Analysis (IDA) in the Cost Analysis Research Division (CARD). He received his Ph.D.
in applied mathematics at Michigan Technological University in 2019 and was a postdoctoral
researcher at the National Institute of Standards and Technology (NIST) prior to joining IDA in
2022. Jake’s primary areas of research have been in functional analysis and inverse problems,
which are problems where small errors in the observed data produce radically different results.
While at NIST, he researched inverse problems related to cytometry, cryogenic electron
microscopy, and mass spectrometry. Though very new at IDA, Jake applies mathematical
modeling and analysis to various problems in cost estimation.