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1.发明授权公开(公告)号：US11222775B2
公开(公告)日：2022-01-11
申请号：US16450594
申请日：2019-06-24
发明人： Ronald F. Bonner , Stephen A. Tate , Rudolf Aebersold , Pedro Jose Navarro Alvarez , Oliver Rinner , Lukas Reiter , Ludovic Gillet
摘要： Systems and methods are disclosed for analyzing a sample using overlapping precursor isolation windows. A mass analyzer of a tandem mass spectrometer is instructed to select and fragment at least two overlapping precursor isolation windows across a precursor ion mass range of a sample using a processor. The tandem mass spectrometer includes a mass analyzer that allows overlapping precursor isolation windows across the mass range of the sample.
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2.发明授权Data independent acquisition of product ion spectra and reference spectra library matching 有权数据独立采集产品离子谱和参考光谱库匹配公开(公告)号：US09343278B2
公开(公告)日：2016-05-17
申请号：US14741948
申请日：2015-06-17
发明人： Ronald F. Bonner , Stephen A. Tate , Rudolf Aebersold , Pedro Jose Navarro Alvarez , Oliver Rinner , Lukas Reiter , Ludovic Gillet
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 disclosed for quantitating detectable compounds of a sample. Sample product ion spectra are received for each mass selection window for each time step. The received sample product ion spectra are searched for the presence of known compounds of interest with known product ion spectra by retrieving the known product ion spectra from a library, retrieving the sample product ion spectra corresponding to the precursor mass selection window expected to contain a precursor ion corresponding to the known product ion spectra, generating product ion traces in time for the sample product ion spectra for the known product ion spectra, calculating a score for the product ion traces and product ion spectra that represents how well known product ions and sample product ions match, and calculating a quantitative value for the known compound from the product ion traces when the score exceeds a threshold value.
摘要翻译： 公开了用于定量可检测的样品化合物的系统和方法。 为每个时间步长的每个质量选择窗口接收样品产品离子光谱。 通过从文库检索已知的产物离子光谱，检索所接收的样品产物离子光谱，获得已知产物离子光谱的已知化合物的存在，检索对应于期望含有前体的前体质量选择窗口的样品产物离子谱 离子对应于已知的产物离子光谱，为已知产物离子光谱的样品产物离子光谱及时产生产物离子痕迹，计算产物离子痕迹和产物离子光谱的得分，其表示众所周知的产物离子和样品产物 离子匹配，并且当分数超过阈值时，从产物离子迹线计算已知化合物的定量值。
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3.发明申请Data Independent Acquisition of Product Ion Spectra and Reference Spectra Library Matching 有权数据独立采集产品离子谱和参考光谱库匹配公开(公告)号：US20150287579A1
公开(公告)日：2015-10-08
申请号：US14741948
申请日：2015-06-17
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 disclosed for quantitating detectable compounds of a sample. Sample product ion spectra are received for each mass selection window for each time step. The received sample product ion spectra are searched for the presence of known compounds of interest with known product ion spectra by retrieving the known product ion spectra from a library, retrieving the sample product ion spectra corresponding to the precursor mass selection window expected to contain a precursor ion corresponding to the known product ion spectra, generating product ion traces in time for the sample product ion spectra for the known product ion spectra, calculating a score for the product ion traces and product ion spectra that represents how well known product ions and sample product ions match, and calculating a quantitative value for the known compound from the product ion traces when the score exceeds a threshold value.
摘要翻译： 公开了用于定量可检测的样品化合物的系统和方法。 为每个时间步长的每个质量选择窗口接收样品产品离子光谱。 通过从文库检索已知的产物离子光谱，检索所接收的样品产物离子光谱，获得已知产物离子光谱的已知化合物的存在，检索对应于期望含有前体的前体质量选择窗口的样品产物离子谱 离子对应于已知的产物离子光谱，为已知产物离子光谱的样品产物离子光谱及时产生产物离子痕迹，计算产物离子痕迹和产物离子光谱的得分，其表示众所周知的产物离子和样品产物 离子匹配，并且当分数超过阈值时，从产物离子迹线计算已知化合物的定量值。
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4.发明申请公开(公告)号：US20220181132A1
公开(公告)日：2022-06-09
申请号：US17457055
申请日：2021-12-01
发明人： Ronald F. Bonner , Stephen A. Tate , Rudolf Aebersold , Pedro Jose Navarro Alvarez , Oliver Rinner , Lukas Reiter , Ludovic Gillet
摘要： Systems and methods are disclosed for analyzing a sample using overlapping precursor isolation windows. A mass analyzer of a tandem mass spectrometer is instructed to select and fragment at least two overlapping precursor isolation windows across a precursor ion mass range of a sample using a processor. The tandem mass spectrometer includes a mass analyzer that allows overlapping precursor isolation windows across the mass range of the sample.
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5.发明申请公开(公告)号：US20190311892A1
公开(公告)日：2019-10-10
申请号：US16450594
申请日：2019-06-24
发明人： Ronald F. Bonner , Stephen A. Tate , Rudolf Aebersold , Pedro Jose Navarro Alvarez , Oliver Rinner , Lukas Reiter , Ludovic Gillet
摘要： Systems and methods are disclosed for analyzing a sample using overlapping precursor isolation windows. A mass analyzer of a tandem mass spectrometer is instructed to select and fragment at least two overlapping precursor isolation windows across a precursor ion mass range of a sample using a processor. The tandem mass spectrometer includes a mass analyzer that allows overlapping precursor isolation windows across the mass range of the sample.
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6.发明申请Data Independent Acquisition of Product Ion Spectra and Reference Spectra Library Matching 审中-公开数据独立采集产品离子谱和参考光谱库匹配公开(公告)号：US20160225594A1
公开(公告)日：2016-08-04
申请号：US15098196
申请日：2016-04-13
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 , G16C20/20 , G16C20/90 , H01J49/0031 , H01J49/004 , H01J49/0045 , H01J49/42
摘要： Systems and methods are disclosed for detecting compounds in a sample using a tandem mass spectrometer. A sample comprising a plurality of detectable compounds that have been separated in time over a time interval is introduced into a tandem mass spectrometer. A sample product ion spectra is obtained. The presence of one or more known compounds of interest in the sample product ion spectra is determined. A compound is identified as present in the sample if the score associated with said compound meets a threshold value set as indicative of the likely presence of the compound in the sample.
摘要翻译： 公开了使用串联质谱仪检测样品中的化合物的系统和方法。 将包含多个可在时间上分离的可检测化合物的样品引入串联质谱仪。 得到样品产物离子光谱。 确定样品产物离子光谱中一种或多种已知化合物的存在。 如果与所述化合物相关的分数满足设定为指示样品中化合物可能存在的阈值，则鉴定化合物存在于样品中。
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7.发明申请Data Independent Acquisition of Product Ion Spectra and Reference Spectra Library Matching 审中-公开数据独立采集产品离子谱和参考光谱库匹配公开(公告)号：US20170032948A1
公开(公告)日：2017-02-02
申请号：US15293517
申请日：2016-10-14
发明人： Ronald F. Bonner , Stephen A. Tate , Rudolf Aebersold , Pedro Jose Navarro Alvarez , Oliver Rinner , Lukas Reiter , Ludovic Gillet
CPC分类号： H01J49/0036 , G01N30/7233 , G16C20/20 , G16C20/90 , H01J49/0031 , H01J49/004 , H01J49/0045 , H01J49/42
摘要： Systems and methods are disclosed for analyzing a sample using overlapping precursor isolation windows. A mass analyzer of a tandem mass spectrometer is instructed to select and fragment at least two overlapping precursor isolation windows across a precursor ion mass range of a sample using a processor. The tandem mass spectrometer includes a mass analyzer that allows overlapping precursor isolation windows across the mass range of the sample.
摘要翻译： 公开了用于使用重叠的前体隔离窗分析样品的系统和方法。 指示串联质谱仪的质量分析器使用处理器在样品的前体离子质量范围上选择和分割至少两个重叠的前体隔离窗口。 串联质谱仪包括质量分析器，其允许在样品质量范围内重叠的前体隔离窗口。
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8.发明授权Data independent acquisition of product ion spectra and reference spectra library matching 有权数据独立采集产品离子谱和参考光谱库匹配公开(公告)号：US09343279B2
公开(公告)日：2016-05-17
申请号：US14741957
申请日：2015-06-17
发明人： Ronald F. Bonner , Stephen A. Tate , Rudolf Aebersold , Pedro Jose Navarro Alvarez , Oliver Rinner , Lukas Reiter , Ludovic Gillet
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 disclosed for identifying detectable compounds of a sample. Sample product ion spectra are received for each mass selection window of precursor mass selection windows for each time step. The received sample product ion spectra are searched for the presence of known compounds of interest with known product ion spectra by retrieving a known product ion spectrum from a library, retrieving the sample product ion spectra corresponding to the precursor mass selection window expected to contain a precursor ion corresponding to the known product ion spectrum, generating product ion traces in time for the retrieved sample product ion spectra, calculating a score for the product ion traces and the retrieved sample product ion spectra that represents how well the retrieved sample product ion spectra and the known product ion spectrum match, and confirming the identity of a precursor ion using the score.
摘要翻译： 公开了用于鉴定样品的可检测化合物的系统和方法。 对于每个时间步长的前体质量选择窗口的每个质量选择窗口，接收样品产物离子光谱。 通过从文库中检索已知的产物离子谱，搜索所接收的样品产物离子光谱，以获得已知产物离子光谱的已知化合物的存在，检索对应于期望含有前体的前体质量选择窗口的样品产物离子谱 离子对应于已知的产物离子光谱，及时产生产生离子痕迹的样品产物离子谱，计算产物离子痕迹的分数和检索的样品产物离子谱，表明检索的样品产物离子谱和 已知的产物离子谱匹配，并使用该分数确认前体离子的身份。
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9.发明申请Data Independent Acquisition of Product Ion Spectra and Reference Spectra Library Matching 有权数据独立采集产品离子谱和参考光谱库匹配公开(公告)号：US20150279644A1
公开(公告)日：2015-10-01
申请号：US14741957
申请日：2015-06-17
发明人： Ronald F. Bonner , Stephen A. Tate , Rudolf Aebersold , Pedro Jose Navarro Alvarez , Oliver Rinner , Lukas Reiter , Ludovic Gillet
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 disclosed for identifying detectable compounds of a sample. Sample product ion spectra are received for each mass selection window of precursor mass selection windows for each time step. The received sample product ion spectra are searched for the presence of known compounds of interest with known product ion spectra by retrieving a known product ion spectrum from a library, retrieving the sample product ion spectra corresponding to the precursor mass selection window expected to contain a precursor ion corresponding to the known product ion spectrum, generating product ion traces in time for the retrieved sample product ion spectra, calculating a score for the product ion traces and the retrieved sample product ion spectra that represents how well the retrieved sample product ion spectra and the known product ion spectrum match, and confirming the identity of a precursor ion using the score.
摘要翻译： 公开了用于鉴定样品的可检测化合物的系统和方法。 对于每个时间步长的前体质量选择窗口的每个质量选择窗口，接收样品产物离子光谱。 通过从文库中检索已知的产物离子谱，搜索所接收的样品产物离子光谱，以获得已知产物离子光谱的已知化合物的存在，检索对应于期望含有前体的前体质量选择窗口的样品产物离子谱 离子对应于已知的产物离子光谱，及时产生产生离子痕迹的样品产物离子谱，计算产物离子痕迹的分数和检索的样品产物离子谱，表明检索的样品产物离子谱和 已知的产物离子谱匹配，并使用该分数确认前体离子的身份。
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公开(公告)号：US09343282B2
公开(公告)日：2016-05-17
申请号：US14922823
申请日：2015-10-26
发明人： Stephen A. Tate , Ronald F. Bonner
CPC分类号： H01J49/0045 , G01N30/7233 , G01N30/8631 , G06F19/703 , H01J49/0009 , H01J49/0031 , H01J49/0036 , H01J49/004
摘要： Systems and methods are provided for analyzing a sample using overlapping measured mass selection window widths. A mass range of a sample is divided into two or more target mass selection window widths using a processor. The two or more target widths can have the same width or variable widths. A tandem mass spectrometer is instructed to perform two or more fragmentation scans across the mass range using the processor. Each fragmentation scan of the two or more fragmentation scans includes a measured mass selection window width. The two or more measured widths of the two or more fragmentation scans can have the same width or variable widths. At least two of the two or more measured mass selection window widths overlap. The overlap in measured mass selection window widths corresponds to at least one target mass selection window width.
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