Department of Analytical Chemistry, University of Pardubice, Faculty of Chemical Technology, Pardubice 53210, Czech Republic.
DEZA, a.s., Valašské Meziříčí 75701, Czech Republic.
Bioinformatics. 2021 Dec 7;37(23):4591-4592. doi: 10.1093/bioinformatics/btab644.
We present the LipidQuant 1.0 tool for automated data processing workflows in lipidomic quantitation based on lipid class separation coupled with high-resolution mass spectrometry. Lipid class separation workflows, such as hydrophilic interaction liquid chromatography or supercritical fluid chromatography, should be preferred in lipidomic quantitation due to the coionization of lipid class internal standards with analytes from the same class. The individual steps in the LipidQuant workflow are explained, including lipid identification, quantitation, isotopic correction and reporting results. We show the application of LipidQuant data processing to a small cohort of human serum samples.
The LipidQuant 1.0 is freely available at Zenodo https://doi.org/10.5281/zenodo.5151201 and https://holcapek.upce.cz/lipidquant.php.
Supplementary data are available at Bioinformatics online.
我们提出了 LipidQuant 1.0 工具，用于基于与高分辨率质谱联用的脂质类别分离的脂质组定量的自动化数据处理工作流程。由于脂质类别内标物与来自同一类别的分析物的共离子化，脂质组定量中应优先选择亲水相互作用液相色谱或超临界流体色谱等脂质类别分离工作流程。该工作流程的各个步骤包括脂质鉴定、定量、同位素校正和报告结果都得到了详细说明。我们展示了 LipidQuant 数据处理在一小部分人类血清样本中的应用。
LipidQuant 1.0 可在 Zenodo 上免费获得，网址为 https://doi.org/10.5281/zenodo.5151201 和 https://holapek.upce.cz/lipidquant.php。
补充数据可在生物信息学在线获得。
