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    • 1. 发明申请
    • METHOD FOR ISOMER DISCRIMINATION BY TANDEM MASS SPECTROMETRY
    • 用于质谱分析的异构体分析方法
    • US20110295521A1
    • 2011-12-01
    • US13114932
    • 2011-05-24
    • Javier E. SatulovskyMagdalena Anna BynumGregory Staples
    • Javier E. SatulovskyMagdalena Anna BynumGregory Staples
    • H01J49/26G06F19/00
    • H01J49/0036
    • 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).
    • 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
    • System and method for performing tandem mass spectrometry analysis
    • 进行串联质谱分析的系统和方法
    • US20100288918A1
    • 2010-11-18
    • US12466045
    • 2009-05-14
    • Javier E. Satulovsky
    • Javier E. Satulovsky
    • B01D59/44H01J49/00
    • H01J49/0036
    • 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.
    • 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
    • Method for isomer discrimination by tandem mass spectrometry
    • 串联质谱鉴别方法
    • US09530633B2
    • 2016-12-27
    • US13114932
    • 2011-05-24
    • Javier E. SatulovskyMagdalena Anna BynumGregory Staples
    • Javier E. SatulovskyMagdalena Anna BynumGregory Staples
    • H01J49/26G06F19/00H01J49/00
    • H01J49/0036
    • 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).
    • 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。
    • 5. 发明申请
    • System and method for analyzing contents of sample based on quality of mass spectra
    • 基于质谱质量分析样品内容的系统和方法
    • US20100288917A1
    • 2010-11-18
    • US12465001
    • 2009-05-13
    • Javier E. SatulovskyGregor Overney
    • Javier E. SatulovskyGregor Overney
    • H01J49/26
    • H01J49/0031
    • 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.
    • 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。
    • 7. 发明授权
    • System and method for performing tandem mass spectrometry analysis
    • 进行串联质谱分析的系统和方法
    • US08987662B2
    • 2015-03-24
    • US12466045
    • 2009-05-14
    • Javier E. Satulovsky
    • Javier E. Satulovsky
    • H01J49/26H01J49/00
    • H01J49/0036
    • 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.
    • 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。