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1. 发明申请

WO2005079263A2 APPARATUS AND METHOD FOR IDENTIFYING PEAKS IN LIQUID CHROMATOGRAPHY/MASS SPECTROMETRY DATA AND FOR FORMING SPECTRA AND CHROMATOGRAMS 审中-公开
标题翻译：用于识别液相色谱/质谱分析数据中的峰和用于形成光谱和色谱的装置和方法
公开(公告)号：WO2005079263A2
公开(公告)日：2005-09-01
申请号：PCT/US2005004180
申请日：2005-02-11
申请人： WATERS INVESTMENTS LTD , GORENSTEIN MARC V , PLUMB ROBERT S , STUMPF CHRIS L
发明人： GORENSTEIN MARC V , PLUMB ROBERT S , STUMPF CHRIS L
IPC分类号： G01N30/72 , G01N30/86 , G06K9/00
CPC分类号： G01N30/8675 , G01N30/7233 , G01N30/8617 , G01N30/8689 , G06K9/00523 , H01J49/022
摘要： Chromatograms and mass spectra produced by an LC/MS system are analyzed by creating a two-dimensional data matrix of the spectral and chromatographic data. The two-dimensional matrix can be created by placing the spectra generated by the mass spectrometer portion of the LC/MS system in successive columns of the data matrix. In this way, the rows of the data matrix correspond to chromatographic data and the columns of the data matrix correspond to the spectra. A two-dimensional filter is specified and applied to the data matrix to enhance the ability of the system to detect peaks associated with ions. The two-dimensional filter is specified according to desired criteria. Rank-1 and rank-2 filters can be specified to improve computational efficiency. One method of applying the two-dimensional filter is through convolution of the data matrix with the two-dimensional filter to produce an output data matrix. Peaks corresponding to detected ions are identified in the output data matrix. Parameters of the peaks are determined and stored for later processing including quantitation, or simplification of chromatograms or spectra by, for example, identifying peaks associating with ions having retention times falling within a specified retention time window or having mass-to charge ratios falling within a specified mass-to-charge ratio window.
摘要翻译：通过创建光谱和色谱数据的二维数据矩阵来分析由LC / MS系统产生的色谱图和质谱。可以通过将由LC / MS系统的质谱仪部分生成的光谱放置在数据矩阵的连续列中来创建二维矩阵。以这种方式，数据矩阵的行对应于色谱数据，数据矩阵的列对应于光谱。指定二维滤波器并将其应用于数据矩阵，以增强系统检测与离子相关的峰值的能力。二维滤波器根据所需的标准进行指定。可以指定Rank-1和2级滤波器来提高计算效率。应用二维滤波器的一种方法是通过将数据矩阵与二维滤波器卷积以产生输出数据矩阵。在输出数据矩阵中识别与检测到的离子相对应的峰。峰的参数被确定并存储以用于随后的处理，包括定量或简化色谱或光谱，例如通过鉴定与具有落入规定保留时间窗内的保留时间的离子相关联的峰或者具有落入指定的质荷比窗口。

2. 发明申请

WO2005029003A3 IDENTIFICATION OF AIR COMPONENTS WITH SILICON MASS SPECTROMETRY 审中-公开
标题翻译：用硅质谱分析空气成分的识别
公开(公告)号：WO2005029003A3
公开(公告)日：2007-05-24
申请号：PCT/US2004003719
申请日：2004-02-09
申请人： WATERS INVESTMENTS LTD , FINCH JEFFREY W , STUMPF CHRIS L , COMPTON BRUCE J
发明人： FINCH JEFFREY W , STUMPF CHRIS L , COMPTON BRUCE J
IPC分类号： B23H3/00 , G01D20060101
CPC分类号： G01N1/2214 , H01J49/0418 , H01J49/0422 , Y10T428/24802 , Y10T428/249953 , Y10T428/29 , Y10T428/2913 , Y10T436/24 , Y10T436/25
摘要： The present invention provides a device, system, and associated methods to actively or passively sample air by directing it onto the surface (4 in Fig. 1 ) of a porous light-absorbing semiconductor, for example, a desorption/ionization on a porous silicon ("DlOS") chi (5 in Fig. 1 ). Upon adsorption of an analyte, the surface may be analyzed directly by laser desorption/ionization (Fig. 4) time-of-flight spectrometry. Because of the process of laser desorption/ionization and subsequent mass detection does not require elevated temperature, thermal degradation of analytes is avoided.
摘要翻译：本发明提供了一种通过将空气引导到多孔光吸收半导体的表面（图1中的4）上来主动或被动地对空气进行取样的装置，系统和相关方法，例如多孔硅上的解吸/电离（“DlOS”）chi（图1中的5）。在分析物吸附后，可以通过激光解吸/电离直接分析表面（图4）飞行时间谱。由于激光解吸/离子化的过程和随后的质量检测不需要升高的温度，因此避免了分析物的热降解。

3. 发明申请

WO2005079263A3 APPARATUS AND METHOD FOR IDENTIFYING PEAKS IN LIQUID CHROMATOGRAPHY/MASS SPECTROMETRY DATA AND FOR FORMING SPECTRA AND CHROMATOGRAMS 审中-公开
公开(公告)号：WO2005079263A3
公开(公告)日：2005-09-01
申请号：PCT/US2005/004180
申请日：2005-02-11
申请人： WATERS INVESTMENTS LIMITED , GORENSTEIN, Marc. V. , PLUMB, Robert, S. , STUMPF, Chris, L.
发明人： GORENSTEIN, Marc. V. , PLUMB, Robert, S. , STUMPF, Chris, L.
IPC分类号： H01J49/26 , B01D15/08 , B01D59/44
摘要： Chromatograms and mass spectra produced by an LC/MS system (101) are analyzed by creating a two-dimensional data matrix of the spectral and chromatographic data. The two-dimensional matrix can be created by placing the spectra generated by the mass spectrometer (108) portion of the LC/MS system (101) in successive columns of the data matrix. In this way, the rows of the data matrix correspond to chromatographic data and the columns of the data matrix correspond to the spectra. A two-dimensional filter is specified and applied to the data matrix to enhance the ability of the system to detect peaks associated with ions. The two-dimensional filter is specified according to desired criteria. Rank-1 and rank-2 filters can be specified to improve computational efficiency. One method of applying the two-dimensional filter is through convolution of the data matrix with the two-dimensional filter to produce an output data matrix. Peaks corresponding to detected ions are identified in the output data matrix. Parameters of the peaks are determined and stored for later processing including quantitation, or simplification of chromatograms or spectra by, for example, identifying peaks associating with ions having retention times falling within a specified retention time window or having mass-to-charge ratios falling within a specified mass-to-charge ratio window.

4. 发明申请

WO2004069417A3 A CAPILLARY LOOP WITH A BUILT-IN RETAINING FRIT 审中-公开
标题翻译：具有内置保持力的毛细管环
公开(公告)号：WO2004069417A3
公开(公告)日：2004-09-16
申请号：PCT/US2004002967
申请日：2004-02-03
申请人： WATERS INVESTMENTS LTD , PLUMB ROBERT , GRANGER HARNISCH JENNIFER , STUMPF CHRIS
发明人： PLUMB ROBERT , GRANGER HARNISCH JENNIFER , STUMPF CHRIS
IPC分类号： G01N30/60 , B01D15/08
CPC分类号： G01N30/6078 , B01J2220/84 , G01N30/603
摘要： Disclosed herein are an apparatus and method for effectuating increased chromatographic efficiency in a capillary column (1) by employing a retaining frit (7, 15) disposed within an analytical capillary (1). By disposing the retaining frit (7, 15) within the analytic capillary (1), the void volume is significantly minimized. The columns (1) and methods described herein produce a simplified analytical capillary (1) and retaining frit (7, 15) apparatus that provides greater chromatographic efficiency. Additionally, the column (1) of the instant invention maintains chromatographic fidelity by reducing the transfer diameter as well as facilitating fluidic connections in situ.
摘要翻译：本文公开了一种通过使用设置在分析毛细管（1）内的保留玻璃料（7,15）来实现毛细管柱（1）中提高的色谱效率的装置和方法。通过将保留玻璃料（7,15）设置在分析毛细管（1）内，空隙体积被显着地最小化。本文所述的柱（1）和方法产生简化的分析毛细管（1）和保留玻璃料（7,15）装置，其提供更高的色谱效率。此外，本发明的色谱柱（1）通过减少转印直径以及便于原位的流体连接来保持色谱保真度。

5. 发明申请

WO2004069417A2 A CAPILLARY LOOP WITH A BUILT-IN RETAINING FRIT 审中-公开
标题翻译：内置保温材料的毛巾环
公开(公告)号：WO2004069417A2
公开(公告)日：2004-08-19
申请号：PCT/US2004/002967
申请日：2004-02-03
申请人： WATERS INVESTMENTS LIMITED , PLUMB, Robert , GRANGER, Harnisch, Jennifer , STUMPF, Chris
发明人： PLUMB, Robert , GRANGER, Harnisch, Jennifer , STUMPF, Chris
IPC分类号： B05B
CPC分类号： G01N30/6078 , B01J2220/84 , G01N30/603
摘要： Disclosed herein are an apparatus and method for effectuating increased chromatographic efficiency in a capillary column by employing a retaining frit disposed within an analytical capillary. By disposing the retaining frit within the analytic capillary, the void volume is significantly minimized. The columns and methods described herein produce a simplified analytical capillary and retaining frit apparatus that provides greater chromatographic efficiency. Additionally, the column of the instant invention maintains chromatographic fidelity by reducing the transfer diameter as well as facilitating fluidic connections in situ .
摘要翻译：本文公开了通过采用设置在分析毛细管内的保留玻璃料来实现毛细管柱中色谱效率提高的装置和方法。通过在分析毛细管内设置保留玻璃料，空隙体积显着最小化。本文描述的柱和方法产生提供更高色谱效率的简化的分析毛细管和保留玻璃料装置。此外，本发明的色谱柱通过减少转移直径以及促进原位流体连接来保持色谱保真度。

6. 发明申请

WO2003102543A3 A METHOD OF USING DATA BINNING IN THE ANALYSIS OF CHROMATOGRAHPY/SPECTROMETRY DATA 审中-公开
公开(公告)号：WO2003102543A3
公开(公告)日：2003-12-11
申请号：PCT/US2003/017190
申请日：2003-05-30
申请人： WATERS INVESTMENTS LIMITED , PLUMB, Robert Stephen , STUMPF, Chris Lee , GORENSTEIN, Marc V.
发明人： PLUMB, Robert Stephen , STUMPF, Chris Lee , GORENSTEIN, Marc V.
IPC分类号： G06F19/00
摘要： Disclosed herein is a method of analyzing three-dimensional data obtainedfrom a chromatography/spectrometry process, in particular an LC/MS process using a two-dimensional multi-variant statistical analysis. The LC portion permits separation of analytes within a sample. The information obtained from such a procedure typically depends on retention time (R). As the analytes progress through the system, they enter the MS region of the LC/MS system. There they are ionized and a mass detector then detects these ionized species. The information procured from this procedure is generally reported as intensity for a corresponding m/z value. Therefore, an LC/MS system provides at least three pieces of information. Principle component analysis (PCA) is a robust method of multivariant analysis of this type of data between different samples. However, typically, PCA analysis is performed using only two-dimensional data. Therefore, it is expected that at least one parameter of data obtained from a LC/MS operation is lost, however, the methods disclosed herein preserves all three mathematical dimensions.

7. 发明申请

WO03102543A2 A METHOD OF USING DATA BINNING IN THE ANALYSIS OF CHROMATOGRAHPY/SPECTROMETRY DATA 审中-公开
标题翻译：在色谱分析数据分析中使用数据的方法
公开(公告)号：WO03102543A2
公开(公告)日：2003-12-11
申请号：PCT/US0317190
申请日：2003-05-30
申请人： WATERS INVESTMENTS LTD , PLUMB ROBERT STEPHEN , STUMPF CHRIS LEE , GORENSTEIN MARC V
发明人： PLUMB ROBERT STEPHEN , STUMPF CHRIS LEE , GORENSTEIN MARC V
IPC分类号： G01N30/86 , G01N20060101 , G01N30/62 , G01N30/72 , G01N30/74 , G06F19/24 , H01J49/00 , H01J49/04 , H01J49/16 , G01N
CPC分类号： H01J49/0036 , G01N30/8675 , G06F19/24
摘要： Disclosed herein is a method of analyzing three-dimensional data obtainedfrom a chromatography/spectrometry process, in particular an LC/MS process using a two-dimensional multi-variant statistical analysis. The LC portion permits separation of analytes within a sample. The information obtained from such a procedure typically depends on retention time (R). As the analytes progress through the system, they enter the MS region of the LC/MS system. There they are ionized and a mass detector then detects these ionized species. The information procured from this procedure is generally reported as intensity for a corresponding m/z value. Therefore, an LC/MS system provides at least three pieces of information. Principle component analysis (PCA) is a robust method of multivariant analysis of this type of data between different samples. However, typically, PCA analysis is performed using only two-dimensional data. Therefore, it is expected that at least one parameter of data obtained from a LC/MS operation is lost, however, the methods disclosed herein preserves all three mathematical dimensions.
摘要翻译：本文公开了一种分析从色谱/光谱法过程获得的三维数据的方法，特别是使用二维多变量统计分析的LC / MS方法。 LC部分允许分离样品内的分析物。从这种方法获得的信息通常取决于保留时间（R）。当分析物通过系统进入时，它们进入LC / MS系统的MS区域。在那里它们被离子化，质量检测器然后检测这些电离物质。从该程序获得的信息通常被报告为对应的m / z值的强度。因此，LC / MS系统提供至少三条信息。原理分量分析（PCA）是一种对不同样本之间的这种数据进行多变量分析的可靠方法。然而，通常，仅使用二维数据来执行PCA分析。因此，期望从LC / MS操作获得的数据的至少一个参数丢失，然而，本文公开的方法保留所有三个数学维度。

8. 发明申请

WO2005001443A1 AN APPARATUS USED TO PREVENT CROSS-CONTAMINATION ALONG A PLATFORM AND METHODS OF MANUFACTURING THE SAME 审中-公开
标题翻译：用于防止平台上的交叉污染的装置及其制造方法
公开(公告)号：WO2005001443A1
公开(公告)日：2005-01-06
申请号：PCT/US2004/020131
申请日：2004-06-24
申请人： WATERS INVESTMENTS LIMITED , GRANGER,, Jennifer H. , PLUMB,, Robert , STUMPF,, Chris , FINCH,, Jeffrey W.
发明人： GRANGER,, Jennifer H. , PLUMB,, Robert , STUMPF,, Chris , FINCH,, Jeffrey W.
IPC分类号： G01N21/03
CPC分类号： H01J49/0418 , B01L3/5085 , B01L3/50853 , B01L2200/141 , B01L2300/0819 , B01L2300/0822 , B01L2300/0887 , G01N21/03 , G01N21/11 , G01N21/253
摘要： Disclosed herein is an apparatus designed to prevent cross-contamination of a fluid along the surface of a platform comprising a cover slip (12) having one or more defined orifices (14).
摘要翻译：本文公开了一种设计用于防止流体沿着包括具有一个或多个限定孔（14）的盖板（12）的平台的表面的交叉污染的装置。

9. 发明申请

WO2005029003A2 ADSORPTION, DETECTION, AND IDENTIFICATION OF COMPONENTS OF AMBIENT AIR WITH DESORPTION/IONIZATION ON SILICON MASS SPECTROMETRY (DIOS-MS) 审中-公开
标题翻译：吸附，检测和鉴定环境空气与硅离子浓度（DIOS-MS）上的离子/离子浓度
公开(公告)号：WO2005029003A2
公开(公告)日：2005-03-31
申请号：PCT/US2004/003719
申请日：2004-02-09
申请人： WATERS INVESTMENTS LIMITED , FINCH, Jeffrey, W. , STUMPF, Chris, L. , COMPTON, Bruce, J.
发明人： FINCH, Jeffrey, W. , STUMPF, Chris, L. , COMPTON, Bruce, J.
IPC分类号： G01D
CPC分类号： G01N1/2214 , H01J49/0418 , H01J49/0422 , Y10T428/24802 , Y10T428/249953 , Y10T428/29 , Y10T428/2913 , Y10T436/24 , Y10T436/25
摘要： The present invention provides a device, system, and associated methods to actively or passively sample air by directing it onto the surface of a porous light-absorbing semiconductor, for example, a desorption/ionization on porous silicon (“DIOS”) chip. Upon adsorption of an analyte, the surface may be analyzed directly by laser desorption/ionization time-of-flight mass spectrometry. Because the process of laser desorption/ionization and subsequent mass detection does not require elevated temperatures, thermal degradation of analytes is avoided.
摘要翻译：本发明提供了一种通过将空气引导到多孔光吸收半导体的表面上，例如多孔硅（“DIOS”）芯片上的解吸/电离来主动或被动地对空气进行取样的装置，系统和相关方法。在分析物吸附后，可以通过激光解吸/电离飞行时间质谱直接分析表面。由于激光解吸/电离和随后的质量检测过程不需要升高的温度，因此避免了分析物的热降解。

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