DICP OpenIR
Ion Fusion of High-Resolution LC MS-Based Metabolomics Data to Discover More Reliable Biomarkers
Zeng, Zhongda1; Liu, Xinyu1; Dai, Weidong1; Yin, Peiyuan1; Zhou, Lina1; Huang, Qiang1; Lin, Xiaohui2; Xu, Guowang1
刊名ANALYTICAL CHEMISTRY
2014-04-15
DOI10.1021/ac500878x
86期:8页:3793-3800
收录类别SCI
文章类型Article
WOS标题词Science & Technology ; Physical Sciences
类目[WOS]Chemistry, Analytical
研究领域[WOS]Chemistry
关键词[WOS]SPECTROMETRY-BASED METABOLOMICS ; ORBITRAP MASS-SPECTROMETER ; LIQUID-CHROMATOGRAPHY ; ACCURATE MASS ; SERUM ; IDENTIFICATION ; METABONOMICS ; VALIDATION ; TOOLS
英文摘要A systematic approach for the fusion of associated ions from a common molecule was developed to generate "one feature for one peak" metabolomics data. This approach guarantees that each molecule is equally selected as a potential biomarker and may largely enhance the chance to obtain reliable findings without employing redundant ion information. The ion fusion is based on low mass variation in contrast to the theoretical calculation measured by a high-resolution mass spectrometer, such as LTQ orbitrap, and a high correlation of ion pairs from the same molecule. The mass characteristics of isotopic distribution, neutral loss, and adduct ions were simultaneously applied to inspect each extracted ion in the range of a predefined retention time window. The correlation coefficient was computed with the corresponding intensities of each ion pair among all experimental samples. Serum metabolomics data for the investigation of hepatocellular carcinoma (HCC) and healthy controls were utilized as an example to demonstrate this strategy. In total, 609 and 1084 ion pairs were respectively found meeting one or more criteria for fusion, and therefore fused to 106 and 169 metabolite features of the datasets in the positive and negative modes, respectively. The important metabolite features were separately discovered and compared to distinguish the HCC from the healthy controls using the two datasets with and without ion fusion. The results show that the developed method can be an effective tool to process high-resolution mass spectrometry data in "omics" studies.
语种英语
WOS记录号WOS:000334658000019
引用统计
文献类型期刊论文
条目标识符http://cas-ir.dicp.ac.cn/handle/321008/145660
专题中国科学院大连化学物理研究所
作者单位1.Chinese Acad Sci, Dalian Inst Chem Phys, Key Lab Separat Sci Analyt Chem, Dalian 116023, Peoples R China
2.Dalian Univ Technol, Sch Comp Sci & Technol, Dalian 116024, Peoples R China
推荐引用方式
GB/T 7714
Zeng, Zhongda,Liu, Xinyu,Dai, Weidong,et al. Ion Fusion of High-Resolution LC MS-Based Metabolomics Data to Discover More Reliable Biomarkers[J]. ANALYTICAL CHEMISTRY,2014,86(8):3793-3800.
APA Zeng, Zhongda.,Liu, Xinyu.,Dai, Weidong.,Yin, Peiyuan.,Zhou, Lina.,...&Xu, Guowang.(2014).Ion Fusion of High-Resolution LC MS-Based Metabolomics Data to Discover More Reliable Biomarkers.ANALYTICAL CHEMISTRY,86(8),3793-3800.
MLA Zeng, Zhongda,et al."Ion Fusion of High-Resolution LC MS-Based Metabolomics Data to Discover More Reliable Biomarkers".ANALYTICAL CHEMISTRY 86.8(2014):3793-3800.
条目包含的文件
条目无相关文件。
个性服务
推荐该条目
保存到收藏夹
查看访问统计
导出为Endnote文件
谷歌学术
谷歌学术中相似的文章
[Zeng, Zhongda]的文章
[Liu, Xinyu]的文章
[Dai, Weidong]的文章
百度学术
百度学术中相似的文章
[Zeng, Zhongda]的文章
[Liu, Xinyu]的文章
[Dai, Weidong]的文章
必应学术
必应学术中相似的文章
[Zeng, Zhongda]的文章
[Liu, Xinyu]的文章
[Dai, Weidong]的文章
相关权益政策
暂无数据
收藏/分享
所有评论 (0)
暂无评论
 

除非特别说明,本系统中所有内容都受版权保护,并保留所有权利。