公开(公告)号：US09269555B2

公开(公告)日：2016-02-23

申请号：US14123184

申请日：2012-05-30

申请人： Stephen A. Tate ,  Nic G. Bloomfield

发明人： Stephen A. Tate ,  Nic G. Bloomfield

IPC分类号： H01J49/06 ,  H01J49/00

CPC分类号： H01J49/06 ,  H01J49/0031 ,  H01J49/004 ,  H01J49/429

摘要： Systems and methods are used to band-pass filter ions from a mass range. A full spectrum is received for a full scan of a mass range using a tandem mass spectrometer. A mass selection window of the full spectrum is selected and a set of tuning parameter values is selected. The tandem mass spectrometer is instructed to perform a scan of the mass selection window using the set of tuning parameter values. A spectrum is received for the scan from the tandem mass spectrometer. A band-pass filtered spectrum is created for the mass range that includes values from the spectrum for the mass selection window of the mass range. Systems and methods are also used to band-pass filter ions from two or more mass selection windows across the mass range and to filter out ions from a mass selection window between two band-pass mass selection windows.

摘要翻译： 系统和方法用于将质量范围的滤波器离子带通。 接收到使用串联质谱仪进行质谱范围全扫描的全谱图。 选择全频谱的质量选择窗口，并选择一组调谐参数值。 指示串联质谱仪使用一组调谐参数值执行质量选择窗口的扫描。 接收来自串联质谱仪的扫描的光谱。 为包括质量范围的质量选择窗口的光谱值的质量范围创建带通滤波光谱。 系统和方法还用于对质谱范围内的两个或多个质量选择窗口进行带通滤波器离子，并从两个带通质量选择窗口之间的质量选择窗口滤出离子。

公开(公告)号：US20140117224A1

公开(公告)日：2014-05-01

申请号：US14123184

申请日：2012-05-30

申请人： Stephen A. Tate ,  Nic G. Bloomfield

发明人： Stephen A. Tate ,  Nic G. Bloomfield

IPC分类号： H01J49/06

CPC分类号： H01J49/06 ,  H01J49/0031 ,  H01J49/004 ,  H01J49/429

摘要： Systems and methods are used to band-pass filter ions from a mass range. A full spectrum is received for a full scan of a mass range using a tandem mass spectrometer. A mass selection window of the full spectrum is selected and a set of tuning parameter values is selected. The tandem mass spectrometer is instructed to perform a scan of the mass selection window using the set of tuning parameter values. A spectrum is received for the scan from the tandem mass spectrometer. A band-pass filtered spectrum is created for the mass range that includes values from the spectrum for the mass selection window of the mass range. Systems and methods are also used to band-pass filter ions from two or more mass selection windows across the mass range and to filter out ions from a mass selection window between two band-pass mass selection windows.

摘要翻译： 系统和方法用于将质量范围的滤波器离子带通。 接收到使用串联质谱仪进行质谱范围全扫描的全谱图。 选择全频谱的质量选择窗口，并选择一组调谐参数值。 指示串联质谱仪使用一组调谐参数值执行质量选择窗口的扫描。 接收来自串联质谱仪的扫描的光谱。 为包括质量范围的质量选择窗口的光谱值的质量范围创建带通滤波光谱。 系统和方法还用于对质谱范围内的两个或多个质量选择窗口进行带通滤波器离子，并从两个带通质量选择窗口之间的质量选择窗口滤出离子。

公开(公告)号：US09583323B2

公开(公告)日：2017-02-28

申请号：US14123185

申请日：2012-05-30

申请人： Stephen A. Tate ,  David M. Cox

发明人： Stephen A. Tate ,  David M. Cox

IPC分类号： H01J49/02 ,  H01J49/00 ,  G06F19/00

CPC分类号： H01J49/02 ,  G06F19/703 ,  H01J49/0031

摘要： Systems and methods identify a product ion that does not include an interference. A full product ion spectrum for a mass range of an analyte in a sample is received from a tandem mass spectrometer. A first set of one or more peak parameters is calculated for a product ion in the full product ion spectrum using a first XIC window width. A second set of one or more peak parameters is calculated for the product ion using a second XIC window width. The product ion is identified as not including an interference, if the first set of one or more peak parameters and the second set of one or more peak parameters are substantially the same. The product ion is further confirmed or determined to be from the analyte and not from a matrix of the sample by correlating the product to a precursor ion of the analyte.

摘要翻译： 系统和方法识别不包括干扰的产物离子。 从串联质谱仪接收样品中分析物质量范围的完整产品离子谱。 使用第一XIC窗口宽度，对全产物离子谱中的产物离子计算第一组一个或多个峰参数。 使用第二XIC窗口宽度为产品离子计算第二组一个或多个峰值参数。 如果第一组一个或多个峰值参数和第二组一个或多个峰值参数基本上相同，则产物离子被识别为不包括干扰。 通过将产物与分析物的前体离子相关联，产物离子被进一步确认或确定为来自分析物而不是来自样品的基质。

公开(公告)号：US09513232B2

公开(公告)日：2016-12-06

申请号：US13995816

申请日：2011-12-22

申请人： David M. Cox ,  Stephen A. Tate ,  Matthias Glueckmann

发明人： David M. Cox ,  Stephen A. Tate ,  Matthias Glueckmann

IPC分类号： H01J49/00 ,  G01N23/00 ,  H01J49/02

CPC分类号： G01N23/00 ,  H01J49/0031 ,  H01J49/0045 ,  H01J49/025

摘要： Methods and systems are provided for triggering an information dependent mass spectrometry scan in real time. A mass spectrometry scan of a separating sample mixture is performed by a mass spectrometer at each time interval of a time period. The mass spectrometer receives the separating sample mixture from a separation device. It is determined at a certain time interval that a received mass spectrometry scan at the time interval and one or more preceding received mass spectrometry scans include two or more time-varying ion signals that represent two or more fragment ion transitions of a known compound. If a characteristic of the two or more time-varying ion signals meets a selection criterion, the mass spectrometer is instructed to perform a dependent mass spectrometry scan of the separating sample mixture for a precursor ion of the known compound at the time interval.

摘要翻译： 提供了实时触发信息依赖质谱扫描的方法和系统。 分离样品混合物的质谱扫描由质谱仪在每个时间段的每个时间间隔进行。 质谱仪从分离装置接收分离样品混合物。 在一定时间间隔确定在时间间隔和一个或多个先前接收质谱扫描的接收质谱扫描包括表示已知化合物的两个或更多个片段离子转变的两个或更多个时变离子信号。 如果两个或更多个时变离子信号的特征满足选择标准，则指示质谱仪以时间间隔对已知化合物的前体离子进行分离样品混合物的依赖性质谱扫描。

公开(公告)号：US20130240723A1

公开(公告)日：2013-09-19

申请号：US13876349

申请日：2011-11-02

申请人： Ronald F. Bonner ,  Stephen A. Tate

发明人： Ronald F. Bonner ,  Stephen A. Tate

IPC分类号： H01J49/04

CPC分类号： H01J49/0045 ,  H01J49/0027 ,  H01J49/0031 ,  H01J49/04

摘要： Systems and methods are used to rapidly screening samples. A fast sample introduction device that is non-chromatographic is instructed to supply each sample of a plurality samples to a tandem mass spectrometer using a processor. The fast sample introduction device can include a flow injection analysis device, an ion mobility analysis device, or a rapid sample cleanup device. The tandem mass spectrometer is instructed to perform fragmentation scans at two or more mass selection windows across a mass range of each sample of the plurality of samples using the processor. The two or more mass selection windows across the mass range can have fixed or variable window widths. The tandem mass spectrometer can be instructed to obtain a mass spectrum of the mass range before instructing the tandem mass spectrometer to perform the fragmentation scans.

摘要翻译： 系统和方法用于快速筛选样品。 指示非色谱的快速样品引入装置使用处理器将多个样品的每个样品提供给串联质谱仪。 快速样品引入装置可以包括流动注射分析装置，离子迁移率分析装置或快速样品清除装置。 指示串联质谱仪在使用处理器的多个采样的质量范围的两个或更多个质量选择窗口上进行碎片扫描。 跨质量范围的两个或多个质量选择窗口可以具有固定或可变窗口宽度。 在指示串联质谱仪进行碎片扫描之前，可以指示串联质谱仪获得质量范围的质谱。

公开(公告)号：US20130206979A1

公开(公告)日：2013-08-15

申请号：US13819769

申请日：2011-09-14

申请人： Ronald F. Bonner ,  Stephen A. Tate ,  Rudolf Aebersold ,  Pedro Jose Navarro ALvarez ,  Oliver Rinner ,  Lukas Reiter ,  Ludovic Gillet

发明人： Ronald F. Bonner ,  Stephen A. Tate ,  Rudolf Aebersold ,  Pedro Jose Navarro ALvarez ,  Oliver Rinner ,  Lukas Reiter ,  Ludovic Gillet

IPC分类号： H01J49/00

CPC分类号： H01J49/0036 ,  G01N30/7233 ,  G06F19/703 ,  G06F19/709 ,  H01J49/0031 ,  H01J49/004 ,  H01J49/0045 ,  H01J49/42

摘要： Systems and methods are used to store an electronic record of all product ion spectra of all detectable compounds of a sample. A plurality of product ion scans are performed on a tandem mass spectrometer one or more times in a single sample analysis across a mass range using a plurality of mass selection windows. All sample product ion spectra of all detectable compounds for each mass selection window are produced. All sample product ion spectra for each mass selection window are received from the tandem mass spectrometer using a processor. All sample product ion spectra for each mass selection window are stored as an electronic record of all detectable compounds of the sample using the processor. The electronic record is used to characterize compounds known at the time the electronic record is stored or to characterize compounds that became known after the electronic record was stored.

公开(公告)号：US09269553B2

公开(公告)日：2016-02-23

申请号：US13876349

申请日：2011-11-02

申请人： Ronald F. Bonner ,  Stephen A. Tate

发明人： Ronald F. Bonner ,  Stephen A. Tate

IPC分类号： H01J49/04 ,  H01J49/00

CPC分类号： H01J49/0045 ,  H01J49/0027 ,  H01J49/0031 ,  H01J49/04

摘要： Systems and methods are used to rapidly screening samples. A fast sample introduction device that is non-chromatographic is instructed to supply each sample of a plurality samples to a tandem mass spectrometer using a processor. The fast sample introduction device can include a flow injection analysis device, an ion mobility analysis device, or a rapid sample cleanup device. The tandem mass spectrometer is instructed to perform fragmentation scans at two or more mass selection windows across a mass range of each sample of the plurality of samples using the processor. The two or more mass selection windows across the mass range can have fixed or variable window widths. The tandem mass spectrometer can be instructed to obtain a mass spectrum of the mass range before instructing the tandem mass spectrometer to perform the fragmentation scans.

摘要翻译： 系统和方法用于快速筛选样品。 指示非色谱的快速样品引入装置使用处理器将多个样品的每个样品提供给串联质谱仪。 快速样品引入装置可以包括流动注射分析装置，离子迁移率分析装置或快速样品清除装置。 指示串联质谱仪在使用处理器的多个采样的质量范围的两个或更多个质量选择窗口上进行碎片扫描。 跨质量范围的两个或多个质量选择窗口可以具有固定或可变窗口宽度。 在指示串联质谱仪进行碎片扫描之前，可以指示串联质谱仪获得质量范围的质谱。

公开(公告)号：US20140095084A1

公开(公告)日：2014-04-03

申请号：US14123185

申请日：2012-05-30

申请人： Stephen A. Tate ,  David M. Cox

发明人： Stephen A. Tate ,  David M. Cox

IPC分类号： H01J49/02

CPC分类号： H01J49/02 ,  G06F19/703 ,  H01J49/0031

摘要： Systems and methods identify a product ion that does not include an interference. A full product ion spectrum for a mass range of an analyte in a sample is received from a tandem mass spectrometer. A first set of one or more peak parameters is calculated for a product ion in the full product ion spectrum using a first XIC window width. A second set of one or more peak parameters is calculated for the product ion using a second XIC window width. The product ion is identified as not including an interference, if the first set of one or more peak parameters and the second set of one or more peak parameters are substantially the same. The product ion is further confirmed or determined to be from the analyte and not from a matrix of the sample by correlating the product to a precursor ion of the analyte.

摘要翻译： 系统和方法识别不包括干扰的产物离子。 从串联质谱仪接收样品中分析物质量范围的完整产品离子谱。 使用第一XIC窗口宽度，对全产物离子谱中的产物离子计算第一组一个或多个峰参数。 使用第二XIC窗口宽度为产品离子计算第二组一个或多个峰值参数。 如果第一组一个或多个峰值参数和第二组一个或多个峰值参数基本上相同，则产物离子被识别为不包括干扰。 通过将产物与分析物的前体离子相关联，产物离子被进一步确认或确定为来自分析物而不是来自样品的基质。

公开(公告)号：US20130289894A1

公开(公告)日：2013-10-31

申请号：US13995816

申请日：2011-12-22

申请人： David M. Cox ,  Stephen A. Tate ,  Matthias Glueckmann

发明人： David M. Cox ,  Stephen A. Tate ,  Matthias Glueckmann

IPC分类号： G01N23/00 ,  H01J49/02

CPC分类号： G01N23/00 ,  H01J49/0031 ,  H01J49/0045 ,  H01J49/025

摘要： Methods and systems are provided for triggering an information dependent mass spectrometry scan in real time. A mass spectrometry scan of a separating sample mixture is performed by a mass spectrometer at each time interval of a time period. The mass spectrometer receives the separating sample mixture from a separation device. It is determined at a certain time interval that a received mass spectrometry scan at the time interval and one or more preceding received mass spectrometry scans include two or more time-varying ion signals that represent two or more fragment ion transitions of a known compound. If a characteristic of the two or more time-varying ion signals meets a selection criterion, the mass spectrometer is instructed to perform a dependent mass spectrometry scan of the separating sample mixture for a precursor ion of the known compound at the time interval.

摘要翻译： 提供了实时触发信息依赖质谱扫描的方法和系统。 分离样品混合物的质谱扫描由质谱仪在每个时间段的每个时间间隔进行。 质谱仪从分离装置接收分离样品混合物。 在一定时间间隔确定在时间间隔和一个或多个先前接收质谱扫描的接收质谱扫描包括表示已知化合物的两个或更多个片段离子转变的两个或更多个时变离子信号。 如果两个或更多个时变离子信号的特征满足选择标准，则指示质谱仪以时间间隔对已知化合物的前体离子进行分离样品混合物的依赖性质谱扫描。

公开(公告)号：US09442887B2

公开(公告)日：2016-09-13

申请号：US13471385

申请日：2012-05-14

申请人： Stephen A. Tate ,  Ronald Bonner

发明人： Stephen A. Tate ,  Ronald Bonner

IPC分类号： G06F17/00 ,  H01J49/00 ,  G06K9/62

CPC分类号： G06F17/00 ,  G06K9/6247 ,  H01J49/0036 ,  H01J49/005

摘要： Correlated fragment ions of a molecule are grouped using mass spectrometry with ramps in collision energy (CE). A known molecule is fragmented and analyzed at a plurality of different collision energies using a mass spectrometer. A plurality of variables for a plurality of fragment ions are produced. Principal component analysis is performed on the plurality of variables. A number of principal components produced by the principal component analysis is selected. A subset principal component space is created having the number of principal components. A variable in the subset principal component space is selected. A spatial angle is defined around a vector extending from an origin to the variable. A set of one or more variables within the spatial angle of the vector is selected. The set is assigned to a group, if the set includes a minimum number of variables.

摘要翻译： 分子的相关碎片离子使用质量分析法，在碰撞能量（CE）中具有斜坡。 使用质谱仪在多种不同的碰撞能量下分解和分析已知的分子。 产生多个碎片离子的多个变量。 对多个变量进行主成分分析。 选择由主成分分析生成的主要成分。 创建具有主成分数量的子集主体组件空间。 选择子集主体组件空间中的变量。 围绕从原点延伸到变量的向量定义空间角度。 选择矢量空间角内的一个或多个变量的集合。 如果集合包含最小数量的变量，则将该集合分配给一个组。