Software has been developed to function onboard the International Space Station (ISS) to help safeguard human health by detecting compounds of concern in the cabin atmosphere, both in identity and concentration. This software calibrates and processes a standard 2D dataset (mass spectrum versus time) output from a gas chromatogram/mass spectrometer by identifying temporal events, including the possibility for near simultaneous event overlap, reducing the mass spectra for each event and comparing to an arbitrary library of known compounds. The level of autonomy, adjustment of parameters for the VCAM devices’ specific data characteristics, and adaptive mass resolution to ease requirement of precision mass calibration are three unique features of this design. The estimation of concentration is also a significant addition to the standard AMDIS (NIST) implementation. Solution filtration based on elution time, and an arbitration algorithm for similar matches, provide the user with a more succinct, single-valued estimate in comparison to algorithms designed to merely augment expert hand analysis.