LipidBlast in silico tandem mass spectrometry database for lipid identification.

LipidBlast in silico tandem mass spectrometry database for lipid identification.
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DOI:
10.1038/nmeth.2551
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发表时间:
2013-08
期刊:
影响因子:
48
通讯作者:
Fiehn, Oliver
Fiehn, Oliver
中科院分区:
生物学1区
文献类型:
--
作者:
Kind, Tobias;Liu, Kwang-Hyeon;Lee, Do Yup;DeFelice, Brian;Meissen, John K.;Fiehn, Oliver

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目前用于代谢组学中脂质注释的串联质谱库在大小和多样性上是有限的。我们提供了一个免费提供的计算机生成的212,516 MS/MS光谱的计算机串联质谱库,涵盖了来自26种脂质化合物类别的119,200种化合物,包括磷脂,甘油脂,细菌脂聚糖和植物糖脂。通过使用来自40种不同质谱仪类型(包括低分辨率和高分辨率仪器)的串联质谱显示平台独立性。
Current tandem mass spectral libraries for lipid annotations in metabolomics are limited in size and diversity. We provide a freely available computer generated in-silico tandem mass spectral library of 212,516 MS/MS spectra covering 119,200 compounds from 26 lipid compound classes, including phospholipids, glycerolipids, bacterial lipoglycans and plant glycolipids. Platform independence is shown by using tandem mass spectra from 40 different mass spectrometer types including low-resolution and high-resolution instruments.
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