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    System and method for processing identified metabolites
    1.
    发明申请
    System and method for processing identified metabolites 审中-公开
    用于处理鉴定代谢物的系统和方法

    公开(公告)号：US20070246427A1

    公开(公告)日：2007-10-25

    申请号：US11809067

    申请日：2007-05-31

    申请人： Jose Castro-Perez ,  Robert Plumb ,  Jane Kirby

    发明人： Jose Castro-Perez ,  Robert Plumb ,  Jane Kirby

    IPC分类号： B01D15/08

    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。

    System and method for processing identified metabolites
    2.
    发明申请
    System and method for processing identified metabolites 审中-公开
    用于处理鉴定代谢物的系统和方法

    公开(公告)号：US20060118489A1

    公开(公告)日：2006-06-08

    申请号：US11210977

    申请日：2005-08-24

    申请人： Jose Castro-Perez ,  Robert Plumb ,  Jane Kirby

    发明人： Jose Castro-Perez ,  Robert Plumb ,  Jane Kirby

    IPC分类号： B01D15/08

    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。

    System and method for metabonomics directed processing of LC-MS or LC-MS/MS data
    3.
    发明申请
    System and method for metabonomics directed processing of LC-MS or LC-MS/MS data 审中-公开
    用于代谢组学定向处理LC-MS或LC-MS / MS数据的系统和方法

    公开(公告)号：US20060151688A1

    公开(公告)日：2006-07-13

    申请号：US11288588

    申请日：2005-11-29

    申请人： Jose Castro-Perez ,  Robert Plumb ,  Hilary Major ,  Steve Preece ,  Martin Lunt ,  Jeffrey Goshawk ,  Marc Gorenstein

    发明人： Jose Castro-Perez ,  Robert Plumb ,  Hilary Major ,  Steve Preece ,  Martin Lunt ,  Jeffrey Goshawk ,  Marc Gorenstein

    IPC分类号： B01D59/44

    CPC分类号： G01N30/8675 ,  G01N30/72 ,  G01N30/78 ,  G01N30/8631 ,  G01N30/8662 ,  G01N30/8682

    摘要： A method of programmatically 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 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： 公开了一种以编程方式减少一组收集的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。 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。

    System and method for isotopic signature and mass analysis
    4.
    发明授权
    System and method for isotopic signature and mass analysis 有权
    同位素特征和质量分析的系统和方法

    公开(公告)号：US07189964B2

    公开(公告)日：2007-03-13

    申请号：US11315844

    申请日：2005-12-22

    申请人： Jose Castro-Perez ,  Robert Plumb ,  Christopher Jones

    发明人： Jose Castro-Perez ,  Robert Plumb ,  Christopher Jones

    IPC分类号： H01J49/40

    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。

    System and method for isotopic signature and mass analysis
    5.
    发明申请
    System and method for isotopic signature and mass analysis 有权
    同位素特征和质量分析的系统和方法

    公开(公告)号：US20060169885A1

    公开(公告)日：2006-08-03

    申请号：US11315844

    申请日：2005-12-22

    申请人： Jose Castro-Perez ,  Robert Plumb ,  Christopher Jones

    发明人： Jose Castro-Perez ,  Robert Plumb ,  Christopher Jones

    IPC分类号： B01D59/44 ,  H01J49/00

    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。