Related Experiment Video
Updated: Mar 5, 2026

MALDI-ToF MS Method for the Characterization of Synthetic Polymers with Varying Dispersity and End Groups
Published on: October 3, 2025
Abundance correction for mass discrimination effects in polymer mass spectra
Martin S Engler1, Sarah Crotty2,3, Markus J Barthel2,3
1Chair of Bioinformatics, Friedrich Schiller University Jena, Ernst-Abbe-Platz 2, 07743, Jena, Germany.
Rationale:
Matrix-assisted laser desorption/ionization time-of-flight mass spectrometry (MALDI-TOFMS) is frequently used to analyze homo- and copolymers, i.e. for computing copolymer fingerprints. However, the oligomer abundances are influenced by mass discrimination, i.e. mass- and composition-dependent ionization. We have developed a computational method to correct the abundance bias caused by the mass discrimination.
Methods:
MALDI-TOFMS in combination with computational methods was used to investigate three random copolymers with different ratios of styrene and isoprene. Furthermore, equimolar high- and low-mass styrene and isoprene homopolymers (2500 and 4200 Da) were mixed and also analyzed by MALDI-TOFMS. The abundances of both copolymers and homopolymers were corrected for mass discrimination effects with our new method.
Results:
The novel computational method was integrated into the existing COCONUT software. The method was demonstrated using the measured styrene and isoprene co- and homopolymers. First, the method was applied to homopolymer spectra. Subsequently, the copolymer fingerprint was computed from the copolymer MALDI mass spectra and the correcting function applied. The changes in the composition are plausible, indicating that correction of copolymer abundances was reasonable.
Conclusions:
Our computational method may help to avoid erroneous conclusions when analyzing copolymer MS spectra. The software is freely available and represents a step towards comprehensive computational support in polymer science. Copyright © 2016 John Wiley & Sons, Ltd.
More Related Videos
09:34Improved Polymerase Chain Reaction-restriction Fragment Length Polymorphism Genotyping of Toxic Pufferfish by Liquid Chromatography/Mass Spectrometry
Published on: September 20, 2016
06:56Characterization of Synthetic Polymers via Matrix Assisted Laser Desorption Ionization Time of Flight MALDI-TOF Mass Spectrometry
Published on: June 10, 2018
Related Concept Videos
Mass Spectrometry: Isotope Effect
Polymers: Molecular Weight Distribution
Mass Spectrum
Mass Spectrometry: Complex Analysis
GC–MS is a powerful hyphenated method commonly used in forensics and environmental...
High-Resolution Mass Spectrometry (HRMS)
Mass Spectrometry: Overview