“Remainders of KM” plot for polymers using msRepeatFinder: Intuitive display of High energy collision induced dissociation mass spectra acquired by SpiralTOF™/TOF
Tandem mass spectrometry of polymer ions provides valuable information about the nature of individual end-groups, chain architecture (linear / cyclic / branched) and copolymeric microstructure. Using matrix-assisted laser desorption ionization (MALDI) with high energy collision-induced dissociation (HE-CID) tandem time-of-flight analysis (TOF/TOF) can be advantageous for MS/MS polymer analysis. However, the interpretation of the resulting mass spectrum may not be obvious when a number of ion series with low intensity signals are present. In this work, a “remainders of Kendrick mass” (RKM) analysis is used as a rapid post-acquisition data processing tool for TOF/TOF mass spectra in order to visualize and filter the ion series instantly via intuitive point alignments.
Poly(propylene oxide) (PPO 1000 g mol-1) was used for an analyte. Product ion spectra were recorded with a JEOL JMS-S3000 SpiralTOF™ mass spectrometer (CHCA 10 mg mL-1, PPO 10 mg mL-1, NaTFA 1 mg mL-1, 10:1:1 in MeOH). The plots were computed by using msRepeatFinder 3.0 (JEOL Ltd.).