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强调

polytools

聚合物MS光谱解释完成了简单的方法

Easy to use

Right after data transfer PolyTools will calculate the characteristic values Mn and Mw of the polymer and makes suggestions for end group combinations.

Versatility

Direct data import from Brukers MALDI-TOF processing software flexAnalysis. Polymer spectra form other mass spectrometers can be analyzed via CSV export.

可视化

简单的均聚物光谱可以通过光谱视图中检测到的序列模拟轻松分析。对于复杂的光谱，通过肯德里克质量缺陷的可视化选项的不同选项支持频谱解释。

Reliability

完全适应性的单体和最终组列表的使用降低了错误光谱解释的风险。

Features

polytools

Software for MS polymer data analysis

PolyTools can directly use peak lists created with flexAnalysis or other Bruker programs, or from other sources. PolyTools will automatically determine the monomer, end groups and cation that produced the measured mass spectrum. If isotopes are resolved in the peak list, lines belonging to the isotope distribution are identified and can be reduced to a monoisotopic series. For every series, the average molecular weights M_nand M_w, the dispersity Đ_m确定聚合的程度和程度，并提出最终组的建议。从所有这些数据中计算出的新棒光谱以及实验光谱以进行比较。

Further, in PolyTools version 2.0, a new Kendrick plot function is implemented to give users a graphical overview of peak series observed in a spectrum, and to be helpful to organize and interpret peak series in spectra especially of complex mixture samples.

好处

polytools

Simple, straightforward, specific

如果用于传入商品的QC，则独立地进行合成控制或聚合物化合物的详细表征：polytools是快速回答与聚合物相关问题的理想软件，因此将提高实验室效率。

MALDI-TOF MS与Polytools一起使用提供了主要优势：

Simple – deskilled technology with fast adaption
速度 - 快速的结果
直接访问分子量和最终组
难度分析物的灵活性
Complete solution with industry standard software

Applications

polytools

Quality control of incoming goods

从样品的溶解直到polytool显示出表征分析的聚合物的结果仅需几分钟。因此，与MALDI飞行时间质谱仪的质谱分析结合使用，Polytools是获得传入商品的快速和可靠信息的理想组合。平均分子量M_nand M_was well as the observed end group combination can directly be compared with the reference compound.

mS analysis of an incoming PEG sample from an autoflex® maX visualized in PolyTools. The expected end group combination of OH and H could be confirmed, but the average molecular weight is slightly below the expected value of 1.5 kDa. A second 1.7% series containing potassium as ionizing agent could observed beside the main distribution.

polytools

In detail characterization of highly complex samples

mRMS MALDI spectrum of Tween 20 sample displayed as resolution enhanced KMD plot. According to EU regulations 6 fatty acids are allowed in this sample with a presence of ≥ 10%. These terminate the up to four PEG chains attached to the core structure. In the shown spectrum more than 100 different series could be detected that way.

复杂的混合物像苏非离子聚合物rfactant Tween requires a different visualization of the spectra: a simple simulation of found oligomeric ion series is not sufficient in this case. PolyTools offers the possibility to show the spectra in the form of Kendrick Mass Defect (KMD) plots and resolution enhanced KMD plots. For mass spectra obtained on instruments with a low resolving power or from the higher mass range where only oligomeric resolution can be achieved, PolyTools contains the remainders of Kendrick Mass (RKM) plot. This can be applied to increase the mass tolerance compared to regular and resolution enhanced KMD plots. Even mass range over 10 kDa or TOF/TOF spectra can be reasonably visualized.

对于最终组分析，Polytools 2.0使用名义Kendrick Mass（RNKM）的其余部分提供两个图：KMD -RNKM和RKM - RNKM。作为PolyTools 2.0的一部分，可聚合编辑器允许在表中用作polytools 2.0中频谱解释的数据库中的单体单元，最终组和阳离子的方便设置。

polytools

mS/MS analysis of synthetic polymers

在MS实验完整中，检测到寡聚物种。观察到的质量由一定数量的单体单位，电离阳离子和两个端组的质量组成。因此，无法以这种方式获得单端组分析。MS/MS实验可以提供此信息，因为每个片段仅携带一个单端组[1]。

Another application where MS/MS can give a deeper insight into the structure of a polymer sample is the determination of the block length in a block copolymer [2].

[1] Knop et al.; Systematic MALDI‐TOF CID Investigation on Different Substituted mPEG 2000; Macromol. Chem. Phys. 2010, 211, 677–684

[2] Weidner等人；通过液相色谱与基质辅助激光解吸/电离飞行时间质谱法偶联，用于共聚物表征的新型软件工具；快速社区。质谱。2007;21，2750–2758