COCONUT-An Efficient Tool for Estimating Copolymer Compositions from Mass Spectra

被引：20

作者：

Engler, Martin S. ^{[1
]}

Crotty, Sarah ^{[2
,3
]}

Barthel, Markus J. ^{[2
,3
]}

Pietsch, Christian ^{[2
,3
]}

Knop, Katrin ^{[2
,3
]}

Schubert, Ulrich S. ^{[2
,3
]}

Boecker, Sebastian ^{[1
,3
]}

机构：

[1] Univ Jena, Chair Bioinformat, D-07743 Jena, Germany

[2] Univ Jena, Lab Organ & Macromol Chem IOMC, D-07743 Jena, Germany

[3] Univ Jena, Jena Ctr Soft Matter JCMS, D-07743 Jena, Germany

来源：

ANALYTICAL CHEMISTRY | 2015年 / 87卷 / 10期

关键词：

DIBLOCK COPOLYMERS; POLYMERIZATION; NMR;

D O I：

10.1021/acs.analchem.5b00146

中图分类号：

O65 [分析化学];

学科分类号：

070302 ; 081704 ;

摘要：

The accurate characterization of synthetic polymer sequences represents a major challenge in polymer science. Matrix-assisted laser desorption/ionization time-of-flight mass spectrometry (MALDI-TOF MS) is frequently used for the characterization of copolymer samples. We present the COCONUT software for estimating the composition distribution of the copolymer. Our method is based on Linear Programming and is capable of automatically resolving overlapping isotopes and isobaric ions. We demonstrate that COCONUT is well suited for analyzing complex copolymer MS spectra. COCONUT is freely available and provides a graphical user interface.

引用

页码：5223 / 5231

页数：9

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