The Mass Spectrometry society of Japan - The 68th Annual Conference on Mass Spectrometry, Japan

Abstract

Poster Presentations

Day 3, May 21(Fri.)  Room P2 (Zoom)

Comparison ion strength and retention time of SFC-MS and UHPLC-MS by molecular descriptor

(1Agilent, 2NAIST)
oKyohko Yasuda1, Takeshi Serino1, Shigehiko Kanaya2, Hirokazu Sawada1

Supercritical Fluids Chromatography (SFC) is an chromatography technique for pesticides screening for food safety, metabolomics for lipids, chiral analysis for drug and new compounds and other areas. When comparing separation between SFC and UHPLC, the retention behavior of the compounds analyzed is completely different. In addition, since the flow rate, mobile phases, additives, and columns used are different, the ionization efficiency is also different even though the same ion source is used. 80 pesticides were simultaneously analyzed by using SFC/UHPLC hybrid system equipped with triple quadrupole detector. 172 unique molecular descriptors were obtained for 80 pesticides by rcdk package of R-program. Preliminary data showed peak area of 52 pesticides was larger in SFC than that in UHPLC. Quantitative structure property relationship will be discussed for retention time and peak area differences between SFC and UHPLC.