演題概要

ポスター発表

第1日 5月18日(水)  ポスター会場(月光)

Convenient visualization of high resolution MS/MS spectra of synthetic polymer ions using Kendrick mass defect analysis – the case of polysiloxanes

(AIST)
oFouquet, ThierrySato, Hiroaki

Tandem mass spectrometry (MS/MS) is widely used for the characterization of synthetic polymer ions to get insights into the nature of their end-groups or architectures. However, MS/MS spectra are sometimes tedious to describe owing to the number of product ions. Of interest for MS spectra, Kendrick mass defect analysis (KMD) is now proposed to be used as a versatile and powerful data treatment technique for a user-friendly visualization of MS/MS spectra. Choosing the appropriate base units, various high resolution CID data recorded from polysiloxanes have been re-analyzed using KMD. For an archetypal polydimethylsiloxane bearing trimethylsilyl terminations, KMD plot readily discriminates two product ions series using dimethylsiloxane (DMS) as the base unit while their filiation is evidenced using tetramethylsilane (expelled neutral). Structural features of product ions from a polycylosiloxane precursor ion (plasma-polymerized hexamethyldisiloxane) are highlighted in KMD plots using DMS and SiO2 as base units (co-monomer units). The fragmentation routes of a polyhedral oligomeric silsesquioxane (POSS) – namely unfolding, cyclization and depolymerization – are finally deciphered using water or a so-formed azasiloxane as base unit. Making their interpretation faster and visual, KMD plots are expected to become a useful chart type for the presentation of MS/MS data to wide audiences.