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msRepeatFinder Polymer Analysis Software

Definitive Polymer Analysis Software!!

Visualizes complicated mass spectral data and accelerates information sharing!

Compositional distribution of polymers

msRepeatFinder combines Kendrick Mass Defect (KMD) and Kendrick Mass Remainder (KMR) plots to visualize compositional distributions of homopolymers with different end groups. The program also calculates parameters related to molecular weight distributions by grouping and color coding each polymer series.

Mass spectrum of a polyethylene oxide mixture with different end groups
Mass spectrum of a polyethylene oxide mixture with diffeent end groups
Total ion intensity Center of KMD value Center of NKM value Number average molecular weight(Mn) Weight average molecular weight(Mw) Polydispersity
826378 0.0245 1092.1 1092.8 1109.3 1.015
239802 -0.0635 1433.7 1434.5 1453.0 1.013
175311 -0.0920 1347.5 1348.3 1366.1 1.013
90119 -0.1060 1371.1 1371.9 1387.5 1.011
17689 0.0912 1279.8 1280.5 1291.2 1.008

Gel permeation chromatography (GPC) combined with high mass-accuracy MALDI-TOFMS

To analyze highly polydisperse polymers, it is effective to combine GPC with high mass-accuracy MALDI-TOFMS. This process displays mass spectra of multiple fractions on Remainder of Kendrick Mass (RKM) plots for visual presentation of compositional distributions.

Mass spectral data of highly polydisperse polycaprolactone after being fractionated by GPC
多分散度の大きいポリカプロラクトンのGPC分取後のマススペクトル
Overlaid RKM plots of mass spectra of all fractions
全フラクションのマススペクトルのRKMプロットの重ね書き

* The data was acquired in collaboration with the National Institute of Advanced Industrial Science and Technology

MS/MS structural analysis of polymers with different end groups

High energy collision-induced dissociation, which is a fragmentation method specific to MALDI-TOF-TOF, is effective in acquiring various structural information. RKM plots can visualize the difference of end groups.

Product ion spectra polyethylene oxide with different end groups
末端基の異なるポリエチレンオキシドのプロダクトイオンスペクトル
Overlaid RKM plots of 3 product ion spectra
Overlaid RKM plots of 3 product ion spectra

Analysis of copolymers

In mass spectral data of copolymers, numerous peaks with small mass differences are typically observed.
Fraction Base KMD plots can clearly visualize such peaks compared to conventional KMD plots.

Mass spectrum of EO-PO block copolymer
Mass spectrum of EO-PO block coplolymer EO-POブロック共重合体のマススペクトル
KMD plot(Left) / Fraction base KMD plot(Right)

Polymer analysis using field desorption (FD)

In FD, types of polymers to be desorbed and ionized change over time as the current to the emitter is increased.
In KMD plotting, polymers separated over time can be overlaid for visualization.

Analysis of a polypropylene oxide and polystyrene mixture
Analysis of a polypropylene oxide and polystyrene mixture

Function

  • Peak lists (up to 10 lists can be overlaid)
  • KMD/KMR plots
  • Fraction base KMD plots
  • Remainder of KM (RKM) plots
  • Estimated circles of homopolymer end groups (on KMR plots)
  • Grouping
    • Color coded groups
    • Enable/disable display of polymer series groups
    • Calculating average molecular weight/polydispersity of groups
    • Export polymer series groups

Remarks

  • Peak list input format: m/z and ion intensity
  • The effectiveness of processed results is determined by the mass accuracy of peak lists provided.

Microsoft® Windows® 7 Service Pack 1 (64 bit) or Microsoft® Windows® 10 (64 bit).
For the PC, MS-57043PCJ or equal is recommended. Microsoft, Windows, PowerPoint and Microsoft Office e registered trademarks or trademarks of Microsoft Corporation in the US and other countries.
Microsoft Word is the product name of Microsoft Corporation.

*Specifications and appearance are subject to change without notice due to modification

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