LipidPioneer : A Comprehensive User-Generated Exact Mass Template for Lipidomics.
LipidPioneer : A Comprehensive User-Generated Exact Mass Template for Lipidomics.
复制标题
DOI：
10.1007/s13361-016-1579-6
复制
发表时间：
2017-03
影响因子：
3.2
通讯作者：
Bowden JA
中科院分区：
文献类型：
--
作者：
Ulmer CZ;Koelmel JP;Ragland JM;Garrett TJ;Bowden JA
脂质组学是生物系统中脂质种类的综合测量，在生物标志物的发现和疾病病因学的阐明方面具有广阔的潜力。色谱分离、质谱技术和新型底物应用的进步继续扩大了观察到的脂质种类的数量。在给定样品中检测到的脂质种类的总数和类型通常指示所检查的样品基质（例如血清、血浆、细胞、细菌、组织等）。目前精确的质量脂质库是静态的，代表了最常用的分析矩阵。通常的做法是用户手动整理自己的脂质种类和加合物质量清单；然而，这个过程很耗时。LipidPioneer是一个交互式模板，可用于生成脂质种类的精确质量和分子式，这些质量和分子式可能在脂质谱分析中遇到。超过60类脂质存在于LipidPioneer模板中，包括几种独特的脂质种类，如醚连接脂质和脂质氧化产物。在模板中，用户可以添加任何脂肪酰基成分，不受碳数或不饱和程度的限制。LipidPioneer接受使用脂类水平（总和组成）和脂质MAPS符号为脂肪酰基结构水平命名。除了脂质鉴定，用户生成的脂质m/z值可用于制定目标碎片化实验的包含列表。生成的脂质名称和m/z值可以导入到MZmine或Compound Discoverer等软件中，以自动进行精确的质量搜索和跨实验数据的同位素模式匹配。
Lipidomics, the comprehensive measurement of lipid species in a biological system, has promising potential in biomarker discovery and disease etiology elucidation. Advances in chromatographic separation, mass spectrometric techniques, and novel substrate applications continue to expand the number of lipid species observed. The total number and type of lipid species detected in a given sample are generally indicative of the sample matrix examined (e.g. serum, plasma, cells, bacteria, tissue, etc.). Current exact mass lipid libraries are static and represent the most commonly analyzed matrices. It is common practice for users to manually curate their own lists of lipid species and adduct masses; however, this process is time-consuming. LipidPioneer, an interactive template, can be used to generate exact masses and molecular formulas of lipid species that may be encountered in the mass spectrometric analysis of lipid profiles. Over 60 lipid classes are present in the LipidPioneer template, and include several unique lipid species, such as ether-linked lipids and lipid oxidation products. In the template, users can add any fatty acyl constituents without limitation in the number of carbons or degrees of unsaturation. LipidPioneer accepts naming using the lipid class level (sum composition) and the LIPID MAPS notation for fatty acyl structure level. In addition to lipid identification, user generated lipid m/z values can be used to develop inclusion lists for targeted fragmentation experiments. Resulting lipid names and m/z values can be imported into software such as MZmine or Compound Discoverer to automate exact mass searching and isotopic pattern matching across experimental data.
登录
查看更多内容
影响因子：
4.7
作者：
Sparvero LJ;Amoscato AA;Kochanek PM;Pitt BR;Kagan VE;Bayir H
通讯作者：
Bayir H
影响因子：
7.4
作者：
Kochen MA;Chambers MC;Holman JD;Nesvizhskii AI;Weintraub ST;Belisle JT;Islam MN;Griss J;Tabb DL
通讯作者：
Tabb DL
影响因子：
7.4
作者：
Stutts, Whitney L.;Menger, Robert F.;Yost, Richard A.
通讯作者：
Yost, Richard A.
影响因子：
2.4
作者：
Vergara D;D'Alessandro M;Rizzello A;De Riccardis L;Lunetti P;Del Boccio P;De Robertis F;Trianni G;Maffia M;Giudetti AM
通讯作者：
Giudetti AM
影响因子：
5.8
作者：
Ahmed, Zeeshan;Mayr, Michel;Fekete, Agnes
通讯作者：
Fekete, Agnes