3P-40 PDF
Development of Software, MVOC Finder, as a Diagnostic Tool to Identify Solid-Derived Fungal Species and to Predict an IMS Drift Time under Atmospheric Pressure
Microbial contamination often makes serious damage to cultural properties. It is imperative to develop the instrument which can detect the activation of fungi at an invisible stage before damage occurs. Software, named MVOC Finder, for fungal species identification based on of IMS and GC-MS spectral data of MVOC was created and released as open source software. The function of the open source software is to detect and identify fungal species using atmospheric samples in order to quicken the detection process. In addition, the software can predict the ion mobility drift time of molecular ions from molecular geometries. In this paper, the structure of the analysis and database software including partial least squares regression (PLS) analysis, evaluation of collision cross sections and validation of the analysis will be presented and discussed.