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1. 发明申请

WO2006003429A3 MASS SPECTROMETER 审中-公开
公开(公告)号：WO2006003429A3
公开(公告)日：2006-01-12
申请号：PCT/GB2005/002610
申请日：2005-07-01
申请人： MICROMASS UK LIMITED , CASTRO-PEREZ, Jose , MILLAR, Alan , PLUMB, Robert
发明人： CASTRO-PEREZ, Jose , MILLAR, Alan , PLUMB, Robert
IPC分类号： H01J49/00
摘要： A method of searching for potentially unknown metabolites of pharmaceutical compounds is disclosed. The accurate mass of a pharmaceutical compound will generally be known and can be rendered in the form of an integer nominal mass or mass to charge ratio component and a decimal mass or mass to charge ratio component. Possible metabolites are searched for on the basis of having a decimal mass or mass to charge ratio component which is substantially very similar to the decimal mass or mass to charge ratio of the parent pharmaceutical compound.

2. 发明申请

WO2004076681A2 SYSTEM AND METHOD FOR PROCESSING IDENTIFIED METABOLITES 审中-公开
标题翻译：用于处理鉴定的代谢物的系统和方法
公开(公告)号：WO2004076681A2
公开(公告)日：2004-09-10
申请号：PCT/US2004/005652
申请日：2004-02-24
申请人： WATERS INVESTMENTS LIMITED , CASTRO-PEREZ, Jose , PLUMB, Robert
发明人： CASTRO-PEREZ, Jose , PLUMB, Robert
IPC分类号： C12Q
CPC分类号： G01N30/8675 , G01N30/8617 , G01N30/8679
摘要： A method of rapidly analyzing unexpected metabolites in a metabolite analyzing system is disclosed. A control sample is run and analyzed to generate an exclusion list of unwanted sample components. A single analyte sample is then run and programmatically uses the exclusion list containing the unwanted metabolites to dynamically filter out data regarding components present in both the control sample and the analyte sample. The remaining components in the analyte sample are analyzed for unexpected metabolites of interest. The present invention allows for the analysis to be automated and eliminates the need for a second analyte sample run for the purpose of eliminating common components in the samples.
摘要翻译：公开了一种在代谢分析系统中快速分析意外代谢物的方法。运行和分析对照样品以产生不需要的样品组分的排除列表。然后运行单个分析物样品，并以编程方式使用包含不需要的代谢物的排除列表，以动态过滤关于对照样品和分析物样品中存在的成分的数据。分析分析物样品中的剩余组分，以获得意想不到的感兴趣的代谢物。本发明允许分析自动化，并且消除了为了消除样品中的常见组分的目的而需要第二分析物样品运行。

3. 发明申请

WO2010059590A1 APPARATUS AND METHOD FOR THE STUDY OF METABOLISM 审中-公开
标题翻译：装置和方法研究代谢
公开(公告)号：WO2010059590A1
公开(公告)日：2010-05-27
申请号：PCT/US2009/064698
申请日：2009-11-17
申请人： WATERS TECHNOLOGIES CORPORATION , CASTRO-PEREZ, Jose , PLUMB, Robert, S. , GRANGER, Jennifer, Harnisch
发明人： CASTRO-PEREZ, Jose , PLUMB, Robert, S. , GRANGER, Jennifer, Harnisch
IPC分类号： C12M1/34
CPC分类号： C12M41/38 , C12M23/06
摘要： Embodiments of the present invention feature methods and apparatus in which fluids circulating between a plurality of vessels containing different cell types or tissues are monitored for metabolites following the introduction of a sample.
摘要翻译：本发明的实施方案的特征在于在引入样品之后监测在含有不同细胞类型或组织的多个血管之间循环的液体代谢物的方法和装置。

4. 发明申请

WO2005009039A2 SYSTEM AND METHOD FOR ISOTOPIC SIGNATURE AND MASS ANALYSIS 审中-公开
标题翻译：同位素签名和质量分析的系统与方法
公开(公告)号：WO2005009039A2
公开(公告)日：2005-01-27
申请号：PCT/US2004/021248
申请日：2004-07-02
申请人： WATERS INVESTMENTS LIMITED , CASTRO-PEREZ, Jose , PLUMB, Robert , JONES, Christopher
发明人： CASTRO-PEREZ, Jose , PLUMB, Robert , JONES, Christopher
IPC分类号： H04N7/16
CPC分类号： H01J49/04 , B01D59/44 , G01N30/8675 , H01J49/0031 , G01N30/7233
摘要： Mass intensity values, isotopic ratios and exact mass differences between isotopes may be obtained and analyzed to determine if there are one or more masses of interest. In one implementation, a method will look among the mass intensity values for peaks of interest. The mass intensity values, representative of isotopic signatures, will be compared to a criteria in order to determine which of the masses are of interest. Although the invention is not so limited, examples of such criteria include mass intensity values above a specified threshold, within a certain ratio of another mass intensity value, and/or separation between the masses themselves. Optionally, a tolerance may be applied to the criteria. If masses are found to be of interest, MS/MS can automatically be triggered for one or all of the masses of interest, when an analyzing system such as an LC-MS-MS, GC-MS-MS or MALDI-MS-MS system is used.
摘要翻译：可以获得并分析同位素的质量强度值，同位素比率和精确质量差异，以确定是否存在一种或多种感兴趣的质量。在一个实现中，一种方法将在感兴趣的峰值的质量强度值之间查看。将代表同位素签名的质量强度值与标准进行比较，以确定哪个质量是感兴趣的。虽然本发明不限于此，但是这种标准的例子包括高于特定阈值的质量强度值，在另一质量强度值的一定比例内，和/或质量本身之间的分离。可选地，公差可以应用于标准。如果发现质量感兴趣，当分析系统如LC-MS-MS，GC-MS-MS或MALDI-MS-MS时，MS / MS可以自动触发一个或所有感兴趣的质量系统被使用。

5. 发明申请

WO2004106915A1 METHOD AND DEVICE FOR PROCESSING OF LC-MS OR LC-MS/MS DATA IN METABONOMICS 审中-公开
标题翻译：用于处理代谢物中LC-MS或LC-MS / MS数据的方法和装置
公开(公告)号：WO2004106915A1
公开(公告)日：2004-12-09
申请号：PCT/US2004/016797
申请日：2004-05-26
申请人： WATERS INVESTMENTS LIMITED , CASTRO-PEREZ, Jose , PLUMB, Robert , MAJOR, Hilary , PREECE, Steve , LUNT, Martin , GOSHAWK, Jeff , GORENSTEIN, Marc, V.
发明人： CASTRO-PEREZ, Jose , PLUMB, Robert , MAJOR, Hilary , PREECE, Steve , LUNT, Martin , GOSHAWK, Jeff , GORENSTEIN, Marc, V.
IPC分类号： G01N30/86
CPC分类号： G01N30/8675 , G01N30/72 , G01N30/78 , G01N30/8631 , G01N30/8662 , G01N30/8682
摘要： A method of reducing a set of collected LC-MS or LC-MS/MS data such that true chromatographic and MS peaks are identified for use in Metabonomics is disclosed. The identified peaks are used to create a list of LC/MS, GC/MS, DIOS-MS or MALDI-MS signals and responses for a batch of samples which appear in a Master Entity List. The samples in the Master Entity List. The samples in the Master Entity List are then subjected to isotope de-clustering and adduct removal prior to chemometrics being applied to automatically identify biomarkers. An LC-MS/MS or LC/MS, GC/MS, DIOS-MS or MALDI-MS acquisition list is generated for the signals identified as responsible for the PLS-DA or PCA separation. The LC or GC retention time, exact mass and MS/MS spectrum may be compared to databases of known compounds and identified compounds associated with biological parameters may be stored in a new compound database.
摘要翻译：公开了一种减少一组收集的LC-MS或LC-MS / MS数据的方法，以便确定用于代谢组学的真实色谱和MS峰。识别的峰用于为主体实体列表中出现的一批样品创建LC / MS，GC / MS，DIOS-MS或MALDI-MS信号和响应的列表。主实体列表中的样本。然后在将主体列表中的样品进行同位素去聚类和加合物去除之前，化学计量学被应用于自动识别生物标志物。为识别为负责PLS-DA或PCA分离的信号生成LC-MS / MS或LC / MS，GC / MS，DIOS-MS或MALDI-MS采集列表。可以将LC或GC保留时间，精确质量和MS / MS光谱与已知化合物的数据库进行比较，并将与生物参数相关联的鉴定化合物存储在新的化合物数据库中。

6. 发明授权

EP1779406B1 MASS SPECTROMETER 有权转让
标题翻译：质谱分析仪
公开(公告)号：EP1779406B1
公开(公告)日：2017-03-22
申请号：EP05757459.2
申请日：2005-07-01
申请人： Micromass UK Limited
发明人： CASTRO-PEREZ, Jose , MILLAR, Alan , PLUMB, Robert
IPC分类号： H01J49/00 , G01N33/15 , G06F19/00
CPC分类号： H01J49/0031 , G01N33/15 , G06F19/703 , H01J49/004 , H01J49/26 , Y10T436/24

7. 发明公开

EP1779406A2 MASS SPECTROMETER 有权转让
标题翻译： MASSENSPEKTROMETER
公开(公告)号：EP1779406A2
公开(公告)日：2007-05-02
申请号：EP05757459.2
申请日：2005-07-01
申请人： Micromass UK Limited
发明人： CASTRO-PEREZ, Jose , MILLAR, Alan , PLUMB, Robert
IPC分类号： H01J49/00
CPC分类号： H01J49/0031 , G01N33/15 , G06F19/703 , H01J49/004 , H01J49/26 , Y10T436/24
摘要： A method of searching for potentially unknown metabolites of pharmaceutical compounds is disclosed. The accurate mass of a pharmaceutical compound will generally be known and can be rendered in the form of an integer nominal mass or mass to charge ratio component and a decimal mass or mass to charge ratio component. Possible metabolites are searched for on the basis of having a decimal mass or mass to charge ratio component which is substantially very similar to the decimal mass or mass to charge ratio of the parent pharmaceutical compound.
摘要翻译：公开了一种搜索潜在未知的药物化合物代谢物的方法。药物化合物的精确质量通常是已知的，并且可以以整数标称质量或质荷比成分和十进制质量或质荷比成分的形式提供。基于具有基本上非常类似于母体药物化合物的十进制质量或质荷比的十进制质量或质荷比成分来搜索可能的代谢物。

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