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1. 发明申请

US20110295521A1 METHOD FOR ISOMER DISCRIMINATION BY TANDEM MASS SPECTROMETRY 有权
标题翻译：用于质谱分析的异构体分析方法
公开(公告)号：US20110295521A1
公开(公告)日：2011-12-01
申请号：US13114932
申请日：2011-05-24
申请人： Javier E. Satulovsky , Magdalena Anna Bynum , Gregory Staples
发明人： Javier E. Satulovsky , Magdalena Anna Bynum , Gregory Staples
IPC分类号： H01J49/26 , G06F19/00
CPC分类号： H01J49/0036
摘要： Systems and method for mass spectrometry are presented. In one embodiment, a method comprises: (a) acquiring one or more fragmentation signatures for a reference sample, wherein each fragmentation signature of the reference sample is acquired with a unique tandem mass spectrometry mode; (b) identifying one or more discriminate features across the plurality of fragmentation signatures of the reference sample; (c) acquiring one or more fragmentation signatures for an unknown sample, wherein each fragmentation signature of the unknown sample is acquired according to the discriminant features of step (b); (d) identifying one or more discriminate features across the plurality of fragmentation signatures of the unknown sample; (e) scoring the fragmentation signatures of step (c) by comparing the discriminate features of the reference sample, from step (b), against the discriminate features of the unknown sample, from step (d); and (f) identifying a structural isomer based on the score of step (e).
摘要翻译：介绍了质谱系统和方法。在一个实施例中，一种方法包括：（a）获取参考样本的一个或多个碎片签名，其中以独特的串联质谱模式获取参考样本的每个碎片签名; （b）识别所述参考样本的所述多个分片签名之间的一个或多个鉴别特征; （c）获取未知样本的一个或多个碎片签名，其中根据步骤（b）的判别特征获取未知样本的每个碎片签名; （d）识别所述未知样本的所述多个分片签名之间的一个或多个鉴别特征; （e）通过将步骤（b）中的参考样本的鉴别特征与步骤（d）中的未知样本的鉴别特征进行比较来对步骤（c）的碎片签名进行评分; 和（f）基于步骤（e）的得分识别结构异构体。

2. 发明申请

US20100288918A1 System and method for performing tandem mass spectrometry analysis 有权
标题翻译：进行串联质谱分析的系统和方法
公开(公告)号：US20100288918A1
公开(公告)日：2010-11-18
申请号：US12466045
申请日：2009-05-14
申请人： Javier E. Satulovsky
发明人： Javier E. Satulovsky
IPC分类号： B01D59/44 , H01J49/00
CPC分类号： H01J49/0036
摘要： A system for performing tandem mass spectrometry (MS/MS) analysis of a sample includes a mass spectrometer and a processor. The mass spectrometer is configured to perform a mass spectrometry (MS) scan of an ionized sample to provide a mass of an observed peak corresponding to a precursor ion. The processor is configured to perform operations including determining whether the mass of the observed peak matches a mass of at least one of multiple expected peptides on a dynamic watch list, where the expected peptides correspond to a protein in the sample, and calculating a score of an accuracy of the determination when the mass of the observed peak is determined to match the mass of at least one of the plurality of expected peptides. The precursor ion is excluded from an MS/MS scan when the accuracy score indicates that the determination is accurate.
摘要翻译：用于对样品进行串联质谱（MS / MS）分析的系统包括质谱仪和处理器。质谱仪被配置为对离子化样品进行质谱（MS）扫描，以提供对应于前体离子的观察峰的质量。处理器被配置为执行操作，包括确定所观察到的峰的质量是否与动态观察列表上的多个预期肽中的至少一个的质量匹配，其中预期肽对应于样品中的蛋白质，并且计算得分当确定观察到的峰的质量与多个预期肽中的至少一个的质量匹配时，确定的准确性。当准确度得分表明确定是准确的时，从MS / MS扫描中排除前体离子。

3. 发明授权

US09530633B2 Method for isomer discrimination by tandem mass spectrometry 有权
标题翻译：串联质谱鉴别方法
公开(公告)号：US09530633B2
公开(公告)日：2016-12-27
申请号：US13114932
申请日：2011-05-24
申请人： Javier E. Satulovsky , Magdalena Anna Bynum , Gregory Staples
发明人： Javier E. Satulovsky , Magdalena Anna Bynum , Gregory Staples
IPC分类号： H01J49/26 , G06F19/00 , H01J49/00
CPC分类号： H01J49/0036
摘要： Systems and method for mass spectrometry are presented. In one embodiment, a method comprises: (a) acquiring one or more fragmentation signatures for a reference sample, wherein each fragmentation signature of the reference sample is acquired with a unique tandem mass spectrometry mode; (b) identifying one or more discriminate features across the plurality of fragmentation signatures of the reference sample; (c) acquiring one or more fragmentation signatures for an unknown sample, wherein each fragmentation signature of the unknown sample is acquired according to the discriminant features of step (b); (d) identifying one or more discriminate features across the plurality of fragmentation signatures of the unknown sample; (e) scoring the fragmentation signatures of step (c) by comparing the discriminate features of the reference sample, from step (b), against the discriminate features of the unknown sample, from step (d); and (f) identifying a structural isomer based on the score of step (e).
摘要翻译：介绍了质谱系统和方法。在一个实施例中，一种方法包括：（a）获取参考样本的一个或多个碎片签名，其中以独特的串联质谱模式获取参考样本的每个碎片签名; （b）识别所述参考样本的所述多个分片签名之间的一个或多个鉴别特征; （c）获取未知样本的一个或多个碎片签名，其中根据步骤（b）的判别特征获取未知样本的每个碎片签名; （d）识别所述未知样本的所述多个分片签名之间的一个或多个鉴别特征; （e）通过将步骤（b）中的参考样本的鉴别特征与步骤（d）中的未知样本的鉴别特征进行比较来对步骤（c）的碎片签名进行评分; 和（f）基于步骤（e）的得分识别结构异构体。

4. 发明授权

US08645090B2 Automated baseline removal of signal 有权
标题翻译：自动基线去除信号
公开(公告)号：US08645090B2
公开(公告)日：2014-02-04
申请号：US12466031
申请日：2009-05-14
申请人： Javier E. Satulovsky
发明人： Javier E. Satulovsky
IPC分类号： G01R13/00
CPC分类号： G06K9/00503 , G01N30/8641 , G06F17/18
摘要： A system for estimating a baseline of a signal exhibits a signal generator and a processor. The signal generator is configured to generate a signal exhibiting a plurality of peaks and a baseline. The processor is configured to perform operations including determining an estimator indicating at least one region of the signal that exhibits a peak, determining a weight indicating at least one region of the signal that does not exhibit a peak based on the estimator, and estimating the baseline of the signal based on at least the determined weight.
摘要翻译：用于估计信号的基线的系统表现出信号发生器和处理器。信号发生器被配置为产生表现出多个峰值和基线的信号。处理器被配置为执行操作，包括确定表示峰值的信号的至少一个区域的估计器，基于估计器确定指示不呈现峰值的信号的至少一个区域的权重，以及估计基线基于至少所确定的重量的信号。

5. 发明申请

US20100288917A1 System and method for analyzing contents of sample based on quality of mass spectra 审中-公开
标题翻译：基于质谱质量分析样品内容的系统和方法
公开(公告)号：US20100288917A1
公开(公告)日：2010-11-18
申请号：US12465001
申请日：2009-05-13
申请人： Javier E. Satulovsky , Gregor Overney
发明人： Javier E. Satulovsky , Gregor Overney
IPC分类号： H01J49/26
CPC分类号： H01J49/0031
摘要： A method of performing tandem mass spectrometry (MS/MS) for identifying contents of a sample includes performing a mass spectrometry (MS) scan of the sample to obtain an MS/MS mass spectrum; identifying a first precursor ion species in the MS mass spectrum; performing an initial MS/MS scan of the first precursor ion species to obtain an initial MS/MS mass spectrum; and determining whether the initial MS/MS mass spectrum has a quality acceptable for peptide sequencing. When the first MS/MS mass spectrum has an unacceptable quality, the method further includes performing a subsequent MS/MS scan of the first precursor ion species to obtain a corresponding subsequent MS/MS mass spectrum of the first precursor ion species, and determining whether the subsequent MS/MS mass spectrum has a quality acceptable for peptide sequencing.
摘要翻译：用于鉴定样品内容物的串联质谱法（MS / MS）的方法包括进行样品的质谱（MS）扫描以获得MS / MS质谱; 识别MS质谱中的第一种前体离子物质; 对第一前体离子物质进行初始MS / MS扫描以获得初始MS / MS质谱; 以及确定初始MS / MS质谱是否具有肽测序可接受的质量。当第一MS / MS质谱具有不可接受的质量时，该方法还包括执行第一前体离子种类的随后的MS / MS扫描，以获得第一前体离子种类的相应的后续MS / MS质谱，并确定是否随后的MS / MS质谱具有肽测序可接受的质量。

6. 发明授权

US10553412B2 System and method of data-dependent acquisition by mass spectrometry 有权
公开(公告)号：US10553412B2
公开(公告)日：2020-02-04
申请号：US12785705
申请日：2010-05-24
申请人： Javier E. Satulovsky
发明人： Javier E. Satulovsky
IPC分类号： G01N33/48 , H01J49/00 , G01N33/68 , G06G7/58
摘要： Systems, computer-readable media, and methods using mass spectrometry to analyze a sample are provided. For example, a method includes: acquiring a precursor ion spectrum; analyzing the precursor ion spectrum to identify precursor ions that preliminarily match one or more peptides that each belong to at least one protein of interest for the analysis; selecting each of the identified precursor ions in an order according to a ranking protocol for maximizing the number of proteins that are identified in the sample; for each selected precursor ion: acquiring a corresponding product ion spectrum, determining whether the acquired product ion spectrum matches one of the peptides that belong to the set of proteins of interest, and identifying a matched peptide as being present in the sample; and identifying proteins of interest that are present in the sample based on the peptides that are identified as being present in the sample.

7. 发明授权

US08987662B2 System and method for performing tandem mass spectrometry analysis 有权
标题翻译：进行串联质谱分析的系统和方法
公开(公告)号：US08987662B2
公开(公告)日：2015-03-24
申请号：US12466045
申请日：2009-05-14
申请人： Javier E. Satulovsky
发明人： Javier E. Satulovsky
IPC分类号： H01J49/26 , H01J49/00
CPC分类号： H01J49/0036
摘要： A system for performing tandem mass spectrometry (MS/MS) analysis of a sample includes a mass spectrometer and a processor. The mass spectrometer is configured to perform a mass spectrometry (MS) scan of an ionized sample to provide a mass of an observed peak corresponding to a precursor ion. The processor is configured to perform operations including determining whether the mass of the observed peak matches a mass of at least one of multiple expected peptides on a dynamic watch list, where the expected peptides correspond to a protein in the sample, and calculating a score of an accuracy of the determination when the mass of the observed peak is determined to match the mass of at least one of the plurality of expected peptides. The precursor ion is excluded from an MS/MS scan when the accuracy score indicates that the determination is accurate.
摘要翻译：用于对样品进行串联质谱（MS / MS）分析的系统包括质谱仪和处理器。质谱仪被配置为对离子化样品进行质谱（MS）扫描，以提供对应于前体离子的观察峰的质量。处理器被配置为执行操作，包括确定所观察到的峰的质量是否与动态观察列表上的多个预期肽中的至少一个的质量匹配，其中预期肽对应于样品中的蛋白质，并且计算得分当确定观察到的峰的质量与多个预期肽中的至少一个的质量匹配时，确定的准确性。当准确度得分表明确定是准确的时，从MS / MS扫描中排除前体离子。

8. 发明申请

US20100292957A1 Automated baseline removal of signal 有权
标题翻译：自动基线去除信号
公开(公告)号：US20100292957A1
公开(公告)日：2010-11-18
申请号：US12466031
申请日：2009-05-14
申请人： Javier E. Satulovsky
发明人： Javier E. Satulovsky
IPC分类号： G06F17/18 , G06F15/00
CPC分类号： G06K9/00503 , G01N30/8641 , G06F17/18
摘要： A system for estimating a baseline of a signal exhibits a signal generator and a processor. The signal generator is configured to generate a signal exhibiting a plurality of peaks and a baseline. The processor is configured to perform operations including determining an estimator indicating at least one region of the signal that exhibits a peak, determining a weight indicating at least one region of the signal that does not exhibit a peak based on the estimator, and estimating the baseline of the signal based on at least the determined weight.
摘要翻译：用于估计信号的基线的系统表现出信号发生器和处理器。信号发生器被配置为产生表现出多个峰值和基线的信号。处理器被配置为执行操作，包括确定表示峰值的信号的至少一个区域的估计器，基于估计器确定指示不呈现峰值的信号的至少一个区域的权重，以及估计基线基于至少所确定的重量的信号。

9. 发明申请

US20100283785A1 Detecting peaks in two-dimensional signals 审中-公开
标题翻译：检测二维信号中的峰值
公开(公告)号：US20100283785A1
公开(公告)日：2010-11-11
申请号：US12463566
申请日：2009-05-11
申请人： Javier E. Satulovsky
发明人： Javier E. Satulovsky
IPC分类号： G06T11/20 , G06K9/46
CPC分类号： G06K9/0053 , G01N27/447 , G01N30/8624 , G06T7/13 , G06T7/136
摘要： A system for detecting true peaks in a two-dimensional signal includes a two-dimensional separator and a processor. The two-dimensional separator is configured to perform separation of a sample to provide the two-dimensional signal. The processor is configured to identify candidate peaks of the two-dimensional signal based on local maxima of points on a surface defined by the two-dimensional signal, and to identify at least one true peak from the candidate peaks.
摘要翻译：用于检测二维信号中的真实峰值的系统包括二维分离器和处理器。二维分离器被配置为执行样品的分离以提供二维信号。处理器被配置为基于由二维信号限定的表面上的点的局部最大值来识别二维信号的候选峰值，并且从候选峰值中识别至少一个真实峰值。

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