日本質量分析学会 第67回質量分析総合討論会

Abstract

Poster Presentations

Day 2, May 16(Thu.)  Room P (Multi-purpose Hall)

Data Science Approach on the Multi-Compounds Simultaneous Analysis of Mass Spectrum Data

(1Agilent, 2NAIST)
oTakeshi Serino1,2, Sadao Nakamura1, Yoshizumi Takigawa1, Shigehiko Kanaya2

The system of chromatography coupled with the mass spectrometer such as GC-MS and LC-MS generates abundant digitalized data by the high-resolution chromatographic separation and mass spectrum of compounds, the multi compounds simultaneous analysis with GC-MS and LC-MS is applied on various applications such as the food analysis. We applied the data science approach such as machine learning on the result of such multiple compounds data set of pesticide recovery in the crops (vegetables and fruits) for understanding the matrix effect using the chemical structure of pesticide.