Glycan Mapping of Low-Molecular-Weight Heparin Using Mass Spectral Correction Based on Chromatography Fitting with "Glycomapping" Software
Glycan Mapping of Low-Molecular-Weight Heparin Using Mass Spectral Correction Based on Chromatography Fitting with "Glycomapping" Software
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DOI：
10.1021/acs.analchem.2c01579
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发表时间：
2022-09-14
影响因子：
7.4
通讯作者：
Zhang，Zhenqing
中科院分区：
文献类型：
--
作者：
Yan，Na;Song，Feifan;Zhang，Zhenqing
在这项工作中，开发了第一个版本的“Glycomapping”软件，用于分析最常见的低分子肝素（LMWH），依诺肝素。采用超高效液相色谱-质谱联用技术，建立依诺肝素聚糖虚拟数据库，进行初步搜索。使用“Glycomapping”，可以拟合复杂的色谱图，显著提高了分辨率，并确定了依诺肝素中每种大小的聚糖的准确分布范围。此外，随机匹配的质谱数据可以在相应色谱保留时间范围的约束下进行校正，以去除大多数假阳性数据。验证了Glycomapping软件的分析稳定性。依诺肝素由不同的制造商和不同的动物来源制备，使用“糖比较”进行分析。与原始数据相比，“Glycomapping”处理后的数据具有更高的鲁棒性和准确性。另外两种LMWHs， nadroparin和dalteparin也可以用该软件进行分析。这项工作为低分子聚糖和其他复杂的低聚糖和多糖的非均质混合物的自动化分析奠定了坚实的基础。
In this work, the first version of “Glycomapping” software is developed for the analysis of the most common low-molecular-weight heparin (LMWH), enoxaparin. Using ultrahigh-performance liquid chromatography-mass spectrometry, size exclusion chromatography is applied, and a virtual database of glycans in enoxaparin is established for the initial searching. With “Glycomapping”, a complex chromatogram can be fitted, significantly improving resolution and confirming an accurate distribution range for each size of glycan within enoxaparin. In addition, randomly matched MS data can be corrected, with the constraint of the corresponding chromatographic retention time range, to remove most false positive data. The analytical stability of “Glycomapping” software was confirmed. Enoxaparin, prepared by different manufacturers and from different animal sources, was analyzed using “Glycomapping.” Compared to raw data, data processed with “Glycomapping” are more robust and accurate. Another two LMWHs, nadroparin and dalteparin could also be analyzed with this software. This work lays a solid foundation for the automated analysis of heterogeneous mixtures of natural glycans, such as LMWHs and other complex oligosaccharides and polysaccharides.