公开(公告)号：EP3410110A1

公开(公告)日：2018-12-05

申请号：EP18170779.5

申请日：2018-05-04

申请人： Thermo Fisher Scientific (Bremen) GmbH

发明人： PFAFF, Hans ,  HENRICH, Christoph ,  MALEK, Robert ,  THAM, Katja

IPC分类号： G01N30/86 ,  H01J49/00 ,  G01N30/72

CPC分类号： H01J49/0036 ,  G01N30/72 ,  G01N30/8631 ,  G01N2030/8648 ,  H01J49/0004

摘要： A computer implemented method of extracting a mass trace from mass spectrometry data of a mass stream emitted from a separation device as a function of a separation parameter, wherein the mass spectrometry data are generated by analysis in a mass spectrometer, the method comprising, receiving the mass spectrometry data, wherein the mass spectrometry data comprise a plurality of mass spectra each obtained for respective values of the separation parameter; identifying, from the plurality of mass spectra, a sequence of three or more intensity peaks that are ordered according to the separation parameter, wherein said identifying the sequence of three or more intensity peaks comprises, selecting an initial intensity peak at an initial mass, and for each other intensity peak of the sequence of intensity peaks, selecting said intensity peak based on at least the mass of an adjacent intensity peak in the sequence of intensity peaks, the method further comprising, providing a mass trace, for a given emitted compound of the mass stream, from the identified sequence of intensity peaks.

公开(公告)号：EP3315959A1

公开(公告)日：2018-05-02

申请号：EP17198692.0

申请日：2017-10-26

申请人： ARKRAY, Inc.

发明人： KAWANO, Masao

IPC分类号： G01N27/447 ,  G01N30/86

CPC分类号： G01N27/44721 ,  G01N21/27 ,  G01N27/44769 ,  G01N27/44791 ,  G01N30/861 ,  G01N33/48707 ,  G01N2030/8648

摘要： An analytical method and an analytical system capable of more accurate analysis, in which a sample is analyzed by a capillary electrophoresis technique in which a voltage is applied to a sample solution introduced to a micro flow path (27)7, a separation analysis is performed for a component contained in the sample solution, and an optically measured value corresponding to an elapsed time after starting a measurement is measured. The analytical method comprises: a process of determining an interface arrival time point, based on the optically measured value when an interface between the sample solution and a migration liquid reaches a predetermined measurement position in the micro flow path; and a process of identifying the component contained in the sample solution using the optically measured value at the elapsed time after the interface arrival time point.

摘要翻译： 一种能够进行更精确分析的分析方法和分析系统，其中通过毛细管电泳技术分析样品，其中将电压施加到引入微流路（27）7的样品溶液中，执行分离分析 测定试样溶液中含有的成分，测定与测定开始后的经过时间对应的光学测定值。 该分析方法包括：基于当样本溶液和迁移液体之间的界面到达微流径中的预定测量位置时的光学测量值来确定界面到达时间点的过程; 以及使用在界面到达时间点之后的经过时间处的光学测量值来识别包含在样本溶液中的组分的过程。

公开(公告)号：EP3133393B1

公开(公告)日：2018-03-21

申请号：EP16184771.0

申请日：2016-08-18

申请人： Commissariat à l'énergie atomique et aux énergies alternatives

发明人： HARANT, Olivier ,  BERTHOLON, François ,  GRANGEAT, Pierre

IPC分类号： G01N30/86

CPC分类号： G01N30/8693 ,  G01N15/06 ,  G01N30/8675 ,  G01N2030/8648

公开(公告)号：EP3045906A4

公开(公告)日：2016-09-07

申请号：EP13896105

申请日：2013-10-21

申请人： SHIMADZU CORP

发明人： YAMAGUCHI SHINICHI

IPC分类号： G01N30/86 ,  G01N30/46 ,  G01N30/72

CPC分类号： G01N30/88 ,  G01N30/463 ,  G01N30/72 ,  G01N30/7233 ,  G01N30/8679 ,  G01N2030/8648 ,  G01N2030/8804

公开(公告)号：EP2438436A1

公开(公告)日：2012-04-11

申请号：EP10726731.2

申请日：2010-05-25

申请人： Thermo Finnigan LLC

发明人： WRIGHT, David, A.

IPC分类号： G01N30/86

CPC分类号： G01N30/8644 ,  G01N30/7233 ,  G01N30/8637 ,  G01N30/8641 ,  G01N30/8696 ,  G01N2030/8648 ,  G01N30/8675

摘要： Methods are disclosed for automatically analyzing a chromatography / mass spectrometry spectrum characterized by at least a time-related variable, a mass-related variable and an ion- abundance-related variable, comprising the steps of: receiving a portion of the spectrum from a chromatography / mass spectrometry apparatus while the chromatography / mass spectrometry apparatus is concurrently generating another portion of the spectrum; automatically subtracting a baseline from the portion of the spectrum so as to generate a baseline-corrected spectrum portion; automatically determining if at least one spectral peak occurs in the baseline-corrected spectrum portion; and reporting information relating at least to the number of peaks automatically determined in the portion of the chromatography / mass spectrometry spectrum.

摘要翻译： 方法是圆盘游离缺失用于自动分析由至少一个与时间相关的变量，质量有关的变量和在离子丰度有关的变量为特征的一个色谱/质谱分析光谱，其包括以下步骤：从一个色谱接收所述频谱的一部分 /质谱装置而色谱/质谱装置同时产生该谱的另一部分; 自动减去频谱的部分，以产生在部分的基线校正的光谱的基线; 如果在部分基线校正光谱发生至少一个光谱峰的自动确定的开采; 和报告信息中的至少与峰自动确定性在色谱/质谱频谱部分开采的数量。

公开(公告)号：EP3410109A1

公开(公告)日：2018-12-05

申请号：EP17174385.9

申请日：2017-06-02

申请人： Thermo Fisher Scientific (Bremen) GmbH

发明人： PFAFF, Hans ,  HENRICH, Christoph ,  MALEK, Robert ,  THAM, Katja

IPC分类号： G01N30/86 ,  H01J49/00 ,  G01N30/72

CPC分类号： H01J49/0036 ,  G01N30/72 ,  G01N30/8631 ,  G01N2030/8648 ,  H01J49/0004

摘要： A computer implemented method of extracting a mass trace from mass spectrometry data of a mass stream emitted from a separation device as a function of a separation parameter, wherein the mass spectrometry data are generated by analysis in a mass spectrometer, the method comprising, receiving the mass spectrometry data, wherein the mass spectrometry data comprise a plurality of mass spectra each obtained for respective values of the separation parameter; identifying, from the plurality of mass spectra, a sequence of three or more intensity peaks that are ordered according to the separation parameter, wherein said identifying the sequence of three or more intensity peaks comprises, selecting an initial intensity peak at an initial mass, and for each other intensity peak of the sequence of intensity peaks, selecting said intensity peak based on at least the mass of an adjacent intensity peak in the sequence of intensity peaks, the method further comprising, providing a mass trace, for a given emitted compound of the mass stream, from the identified sequence of intensity peaks.

公开(公告)号：EP2438436B1

公开(公告)日：2017-11-15

申请号：EP10726731.2

申请日：2010-05-25

申请人： Thermo Finnigan LLC

发明人： WRIGHT, David, A.

IPC分类号： G01N30/86

CPC分类号： G01N30/8644 ,  G01N30/7233 ,  G01N30/8637 ,  G01N30/8641 ,  G01N30/8696 ,  G01N2030/8648 ,  G01N30/8675

公开(公告)号：EP3133393A1

公开(公告)日：2017-02-22

申请号：EP16184771.0

申请日：2016-08-18

申请人： Commissariat à l'énergie atomique et aux énergies alternatives

发明人： HARANT, Olivier ,  BERTHOLON, François ,  GRANGEAT, Pierre

IPC分类号： G01N30/86

CPC分类号： G01N30/8693 ,  G01N15/06 ,  G01N30/8675 ,  G01N2030/8648

摘要： L'invention est un procédé d'estimation d'une quantité ou d'une concentration de particules à partir d'un détecteur disposé à la sortie d'une colonne de chromatographie. L'estimation est réalisée par sur la base d'un tirage d'une pluralité de temps de rétention dans l'histogramme, chaque temps de rétention étant associé à une particule individuelle. Le procédé vise à classifier chaque temps de rétention en une ou plusieurs classes, chaque classe étant représentative d'une espèce de particules. Le procédé peut inclure une estimation du nombre de classes.

摘要翻译： 本发明是一种用于估计量或利用在一个色谱柱的出口设置在检测器的颗粒的浓度的方法。 估计进行选择的保留时间直方图内的多个的基础上，每个保持时间被与单个颗粒有关。 该方法针对每个保留时间分类成一个或多个类别，每个代表一个类颗粒的类。 该方法可以包括在类的数量的估计。

公开(公告)号：EP3045906A1

公开(公告)日：2016-07-20

申请号：EP13896105.7

申请日：2013-10-21

申请人： Shimadzu Corporation

发明人： YAMAGUCHI, Shinichi

IPC分类号： G01N30/86 ,  G01N27/62 ,  G01N30/72

CPC分类号： G01N30/88 ,  G01N30/463 ,  G01N30/72 ,  G01N30/7233 ,  G01N30/8679 ,  G01N2030/8648 ,  G01N2030/8804

摘要： A two-dimensional chromatogram creator (32) creates a two-dimensional chromatogram based on data collected by a comprehensive two-dimensional GC/MS analysis. An extraction condition conformity determiner (35) determines whether or not each MS/MS spectrum obtained through the analysis conforms to a compound extraction condition previously stored in a storage section (34), such as the presence of a specific peak on the MS/MS spectrum. Each spectrum which conforms to the condition is extracted. This spectrum is most likely to reflect a partial structure of a compound in which an analysis operator is interested. Accordingly, a condition conformity information superposing displayer (36) displays a marker whose appearance varies according to the compound extraction condition, at a position corresponding to the retention time of the extracted spectrum on the two-dimensional chromatogram. On this two-dimensional chromatogram, the analysis operator can intuitively understand whether or not the compound of interest is present and where this compound is located.

摘要翻译： 二维色谱图创建器（32）根据通过全面的二维GC / MS分析收集的数据创建二维色谱图。 提取条件一致性确定器（35）确定通过分析获得的每个MS / MS谱是否符合先前存储在存储部分（34）中的化合物提取条件，诸如MS / MS上存在特定峰 光谱。 提取符合条件的每个频谱。 该谱图最可能反映分析操作员感兴趣的化合物的部分结构。 因此，条件一致性信息重叠显示器（36）在与二维色谱图上的提取光谱的保留时间相对应的位置处显示外观根据化合物提取条件而变化的标记。 在此二维色谱图上，分析操作员可以直观地了解目标化合物是否存在以及该化合物所在的位置。