Gertner David S, Violi Jake P, Bishop David P, Padula Matthew P
School of Life Sciences and Proteomics Core Facility, Faculty of Science, University of Technology Sydney, Ultimo 2007, Australia.
School of Mathematical and Physical Sciences, Faculty of Science, University of Technology Sydney, Ultimo 2007, Australia.
Anal Chem. 2023 Feb 7;95(5):2909-2916. doi: 10.1021/acs.analchem.2c04518. Epub 2023 Jan 24.
Due to the complexity of lipids in nature, the use of in silico generated spectral libraries to identify lipid species from mass spectral data has become an integral part of many lipidomic workflows. However, many in silico libraries are either limited in usability or their capacity to represent lipid species. Here, we introduce Lipid Spectrum Generator, an open-source in silico spectral library generator specifically designed to aid in the identification of lipids in liquid chromatography-tandem mass spectrometry analysis.
由于自然界中脂质的复杂性，利用计算机生成的光谱库从质谱数据中识别脂质种类已成为许多脂质组学工作流程中不可或缺的一部分。然而，许多计算机生成的库在可用性或其代表脂质种类的能力方面都存在局限性。在此，我们介绍脂质光谱生成器，这是一种专门设计用于辅助液相色谱 - 串联质谱分析中脂质鉴定的开源计算机光谱库生成器。
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