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1. 发明申请

WO2010057305A1 METHOD OF MULTIPLE SPIKING ISOTOPE DILUTION MASS SPECTROMETRY 审中-公开
标题翻译：多重扫描方法等离子体扩散质谱分析
公开(公告)号：WO2010057305A1
公开(公告)日：2010-05-27
申请号：PCT/CA2009/001668
申请日：2009-11-18
申请人： NATIONAL RESEARCH COUNCIL OF CANADA , OUERDANE, Laurent , MEIJA, Juris , MESTER, Zoltan
发明人： OUERDANE, Laurent , MEIJA, Juris , MESTER, Zoltan
IPC分类号： G01N27/00 , H01J49/26
CPC分类号： H01J49/0009 , H01J49/0036 , Y10T436/13 , Y10T436/24 , Y10T436/25625
摘要： A comprehensive approach for interpretation of the multiple spiking isotope dilution results is described herein. It has now been found that a method of multiple spiking isotope dilution analysis for mass spectrometry is possible using an approach that permits precise and simultaneous characterization of m substances from a sample even if species inter-conversion (degradation and formation) has occurred prior to separation. Advantageously, initial and final amounts of involved analytes, conversion extent, conversion degree and rate constants from the results of a single quantitation experiment may be obtained with the present method. In a particularly advantageous embodiment, uncertainty in the characterization of the substances may be estimated more accurately by also estimating increase in the uncertainty due to inter-conversion of the analytes.
摘要翻译：本文描述了用于解释多重掺杂同位素稀释结果的综合方法。现在已经发现，即使在分离之前已经发生物种互换（降解和形成），也可以使用允许来自样品的m种物质的精确和同时表征的方法来进行质谱法的多重掺杂同位素稀释分析方法。。有利地，可以使用本方法获得来自单个定量实验的结果的所涉及的分析物的初始和最终量，转化程度，转化程度和速率常数。在特别有利的实施方案中，通过估计由分析物的相互转化引起的不确定性的增加，可以更精确地估计物质表征的不确定性。

2. 发明申请

WO2007112597A1 BLIND EXTRACTION OF PURE COMPONENT MASS SPECTRA FROM OVERLAPPING MASS SPECTROMETRIC PEAKS 审中-公开
标题翻译：从超大质量光谱峰提取纯组分质谱的BLIND
公开(公告)号：WO2007112597A1
公开(公告)日：2007-10-11
申请号：PCT/CA2007/000615
申请日：2007-04-04
申请人： NATIONAL RESEARCH COUNCIL OF CANADA , MEIJA, Juris , MESTER, Zoltan
发明人： MEIJA, Juris , MESTER, Zoltan
IPC分类号： H01J49/26 , G01N30/72 , H01J49/10
CPC分类号： G01N30/8675 , G01N30/72 , H01J49/0036
摘要： A method of obtaining pure component mass spectra or pure peak elution profiles from mass spectra of a mixture of components involves estimating number of components in the mixture, filtering noise, and extracting individual component mass spectra or pure peak elution profiles using blind entropy minimization with direct optimization (e.g. downhill simplex minimization). The method may be applied to deconvolution of pure GC/MS spectra of overlapping or partially overlapping isotopologues or other compounds, separation of overlapping or partially overlapping compounds in proteomics or metabolomics mass spectrometry applications, peptide sequencing using high voltage fragmentation followed by deconvolution of the obtained mixture mass spectra, deconvolution of MALDI mass spectra in the separation of multiple components present in a single solution, and specific compound monitoring in security and/or environmentally sensitive areas.
摘要翻译：从组分混合物的质谱获得纯组分质谱或纯峰洗脱曲线的方法包括估计混合物中组分的数量，过滤噪声，以及使用盲熵最小化直接提取单个成分质谱或纯峰溶出曲线优化（例如下坡单工最小化）。该方法可以应用于重叠或部分重叠的同位素或其他化合物的纯GC / MS光谱的去卷积，蛋白质组学或代谢组学质谱应用中重叠或部分重叠化合物的分离，使用高电压片段化的肽测序，随后将所获得的混合质谱，MALDI质谱图在单一溶液中存在的多种组分的分离中的去卷积，以及在安全和/或环境敏感区域中的具体化合物监测。

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