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公开(公告)号：US20080076186A1
公开(公告)日：2008-03-27
申请号：US11568408
申请日：2005-05-03
申请人： Richard Denny , Keith Richardson , John Skilling
发明人： Richard Denny , Keith Richardson , John Skilling
CPC分类号： H01J49/0027 , G01N30/7233 , Y10T436/11 , Y10T436/24 , Y10T436/25
摘要： A mass spectrometer and method of mass spectrometry are disclosed wherein two separate samples are mass analysed and then the relative intensity, concentration or expression level of one or more components, molecules or analytes in a first sample is quantitated relative to the intensity, concentration or expression level of one or more components, molecules or analytes in a second sample. The relative quantitation is performed probabilistically without the need to resort to using internal calibrants.
摘要翻译： 公开了质谱仪和质谱法，其中质量分析两个单独的样品，然后相对于强度，浓度或表达量化第一样品中一种或多种组分，分子或分析物的相对强度，浓度或表达水平 水平的第二个样品中的一种或多种组分，分子或分析物。 概率地执行相对定量，而无需诉诸使用内部校准。
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2.发明授权公开(公告)号：US08735808B2
公开(公告)日：2014-05-27
申请号：US13576344
申请日：2011-02-14
申请人： Richard Denny , Keith Richardson , Martin Raymond Green , Steven Derek Pringle , Anthony James Gilbert , John Skilling , Jason Lee Wildgoose
发明人： Richard Denny , Keith Richardson , Martin Raymond Green , Steven Derek Pringle , Anthony James Gilbert , John Skilling , Jason Lee Wildgoose
CPC分类号： H01J49/0036 , H01J49/40
摘要： A method of mass spectrometry is disclosed wherein a signal output from an ion detector is digitized by an Analogue to Digital Converter and is then deconvoluted to determine one or more ion arrival times and one more ion arrival intensities. The process of deconvoluting the ion signal involves determining a point spread function characteristic of an ion arriving at and being detected by the ion detector. A distribution of ion arrival times which produces a best fit to the digitised signal is then determined given that each ion arrival is assumed to produce a response given by the point spread function. A plurality of ion arrival times are then combined to produce a composite ion arrival time-intensity spectrum.
摘要翻译： 公开了一种质谱法，其中从离子检测器输出的信号被模拟数字转换器数字化，然后进行解卷积，以确定一个或多个离子到达时间和一个离子到达强度。 去卷积离子信号的过程涉及确定到达并被离子检测器检测的离子的点扩散函数特征。 因此，假设每个离子到达产生由点扩散函数给出的响应，则确定产生与数字化信号最佳拟合的离子到达时间的分布。 然后将多个离子到达时间组合以产生复合离子到达时间强度谱。
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3.发明申请公开(公告)号：US20130168546A1
公开(公告)日：2013-07-04
申请号：US13576344
申请日：2011-02-14
申请人： Richard Denny , Keith Richardson , Martin Raymond Green , Steven Derek Pringle , Anthony James Gilbert , John Skilling , Jason Lee Wildgoose
发明人： Richard Denny , Keith Richardson , Martin Raymond Green , Steven Derek Pringle , Anthony James Gilbert , John Skilling , Jason Lee Wildgoose
CPC分类号： H01J49/0036 , H01J49/40
摘要： A method of mass spectrometry is disclosed wherein a signal output from an ion detector is digitised by an Analogue to Digital Converter and is then deconvoluted to determine one or more ion arrival times and one more ion arrival intensities. The process of deconvoluting the ion signal involves determining a point spread function characteristic of an ion arriving at and being detected by the ion detector. A distribution of ion arrival times which produces a best fit to the digitised signal is then determined given that each ion arrival is assumed to produce a response given by the point spread function. A plurality of ion arrival times are then combined to produce a composite ion arrival time-intensity spectrum.
摘要翻译： 公开了一种质谱法，其中从离子检测器输出的信号被模拟数字转换器数字化，然后进行解卷积，以确定一个或多个离子到达时间和一个离子到达强度。 去卷积离子信号的过程涉及确定到达并被离子检测器检测的离子的点扩散函数特征。 因此，假设每个离子到达产生由点扩散函数给出的响应，则确定产生与数字化信号最佳拟合的离子到达时间的分布。 然后将多个离子到达时间组合以产生复合离子到达时间强度谱。
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公开(公告)号：US07365309B2
公开(公告)日：2008-04-29
申请号：US11018086
申请日：2004-12-21
申请人： Richard Denny , Keith Richardson , John Skilling
发明人： Richard Denny , Keith Richardson , John Skilling
IPC分类号： H01J49/00
CPC分类号： H01J49/0036
摘要： A mass spectrometer and a method of mass spectrometry are disclosed wherein periodic background noise is effectively filtered out from the mass spectral data. An overall mass window is superimposed upon the mass spectral data. The overall mass window preferably comprises 21 nominal mass windows each preferably having a width of 1.0005 amu. Each nominal mass window preferably comprises 20 channels. An intensity distribution relating to all the first channels of the 21 nominal mass windows is determined. An intensity quantile is determined from the intensity distribution. The intensity quantile is taken to represent the background intensity in the first channel of the central nominal mass window. This process is repeated for the other channels so that the background intensity across the whole of the central nominal mass window is estimated and then subtracted from the raw mass spectral data comprising the central nominal mass window. The overall mass window is then preferably advanced approximately 1 amu and the process is repeated multiple times.
摘要翻译： 公开了质谱仪和质谱法，其中周期性背景噪声被有效地从质谱数据滤出。 总质量窗口叠加在质谱数据上。 整个质量窗口优选地包括21个标称质量窗口，每个窗口优选地具有1.0005amu的宽度。 每个标称质量窗口优选地包括20个通道。 确定与21个标称质量窗口的所有第一通道相关的强度分布。 强度分位数由强度分布确定。 采用强度分位数来表示中心标称质量窗口的第一个通道中的背景强度。 对其他通道重复该过程，使得估计整个中心标称质量窗口的背景强度，然后从包括中心标称质量窗口的原始质谱数据中减去该背景强度。 然后，整个质量窗口优选地进行大约1amu，并且该过程重复多次。
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公开(公告)号：US08012764B2
公开(公告)日：2011-09-06
申请号：US11568408
申请日：2005-05-03
申请人： Richard Denny , Keith Richardson , John Skilling
发明人： Richard Denny , Keith Richardson , John Skilling
CPC分类号： H01J49/0027 , G01N30/7233 , Y10T436/11 , Y10T436/24 , Y10T436/25
摘要： A mass spectrometer and method of mass spectrometry are disclosed wherein two separate samples are mass analysed and then the relative intensity, concentration or expression level of one or more components, molecules or analytes in a first sample is quantitated relative to the intensity, concentration or expression level of one or more components, molecules or analytes in a second sample. The relative quantitation is performed probabilistically without the need to resort to using internal calibrants.
摘要翻译： 公开了质谱仪和质谱法，其中质量分析两个单独的样品，然后相对于强度，浓度或表达量化第一样品中一种或多种组分，分子或分析物的相对强度，浓度或表达水平 水平的第二个样品中的一种或多种组分，分子或分析物。 概率地执行相对定量，而无需诉诸使用内部校准。
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公开(公告)号：US20050230611A1
公开(公告)日：2005-10-20
申请号：US11018086
申请日：2004-12-21
申请人： Richard Denny , Keith Richardson , John Skilling
发明人： Richard Denny , Keith Richardson , John Skilling
IPC分类号： H01J49/00
CPC分类号： H01J49/0036
摘要： A mass spectrometer and a method of mass spectrometry are disclosed wherein periodic background noise is effectively filtered out from the mass spectral data. An overall mass window is superimposed upon the mass spectral data. The overall mass window preferably comprises 21 nominal mass windows each preferably having a width of 1.0005 amu. Each nominal mass window preferably comprises 20 channels. An intensity distribution relating to all the first channels of the 21 nominal mass windows is determined. An intensity quantile is determined from the intensity distribution. The intensity quantile is taken to represent the background intensity in the first channel of the central nominal mass window. This process is repeated for the other channels so that the background intensity across the whole of the central nominal mass window is estimated and then subtracted from the raw mass spectral data comprising the central nominal mass window. The overall mass window is then preferably advanced approximately 1 amu and the process is repeated multiple times.
摘要翻译： 公开了质谱仪和质谱法，其中周期性背景噪声被有效地从质谱数据滤出。 总质量窗口叠加在质谱数据上。 整个质量窗口优选地包括21个标称质量窗口，每个窗口优选地具有1.0005amu的宽度。 每个标称质量窗口优选地包括20个通道。 确定与21个标称质量窗口的所有第一通道相关的强度分布。 强度分位数由强度分布确定。 采用强度分位数来表示中心标称质量窗口的第一个通道中的背景强度。 对其他通道重复该过程，使得估计整个中心标称质量窗口的背景强度，然后从包括中心标称质量窗口的原始质谱数据中减去该背景强度。 然后，整个质量窗口优选地进行大约1amu，并且该过程重复多次。
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公开(公告)号：US5910655A
公开(公告)日：1999-06-08
申请号：US913012
申请日：1997-09-04
申请人： John Skilling
发明人： John Skilling
CPC分类号： H01J49/0027 , G01N2201/129
摘要： The accuracy of the elemental analysis of a sample by mass spectrometry is enhanced by providing plural estimates of the likely mass spectrum of the sample. These estimates are compared with experimentally obtained spectra to generate trial sets of possible compositions of the sample. The generated trial sets are subsequently employed to obtain mean values for the amount of each constituent of the sample.
摘要翻译： PCT No.PCT / GB97 / 00016 371日期：1997年9月4日 102（e）1997年9月4日PCT PCT 1997年1月3日PCT公布。 出版物WO97 / 25736 日期1997年7月17日通过提供样品的可能质谱的多个估计值，增强了通过质谱法对样品进行元素分析的准确度。 将这些估计与实验获得的光谱进行比较以产生样品的可能组合的试验组。 随后使用生成的试验组来获得样品的每个组分的量的平均值。
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公开(公告)号：US07069152B2
公开(公告)日：2006-06-27
申请号：US10234314
申请日：2002-09-05
申请人： John Skilling
发明人： John Skilling
CPC分类号： G01N33/6848 , H01J49/0036 , H01J49/04
摘要： An apparatus for identifying a protein, polypeptide or peptide by means of mass spectrometry and especially by tandem mass spectrometry is disclosed. The apparatus preferably functions to model the fragmentation of a peptide or protein in a tandem mass spectrometer to facilitate comparison with an experimentally determined spectrum. A fragmentation model is used which takes account of all possible fragmentation pathways which a particular sequence of amino acids may undergo. A peptide or protein may be identified by comparing an experimentally determined mass spectrum with spectra predicted using such a fragmentation model from a library of known peptides or proteins.
摘要翻译： 公开了一种用于通过质谱法，特别是通过串联质谱鉴定蛋白质，多肽或肽的装置。 该装置优选用于在串联质谱仪中模拟肽或蛋白质的断裂以便于与实验确定的光谱进行比较。 考虑到氨基酸的特定序列可能经历的所有可能的断裂途径被使用的碎片模型。 肽或蛋白质可以通过将实验确定的质谱与使用已知肽或蛋白质文库的这种断裂模型预测的光谱进行比较来鉴定。
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公开(公告)号：US06489121B1
公开(公告)日：2002-12-03
申请号：US09544146
申请日：2000-04-06
申请人： John Skilling
发明人： John Skilling
IPC分类号： G01N3353
CPC分类号： G01N33/6848 , H01J49/0036 , H01J49/04
摘要： A method of identifying a protein, polypeptide or peptide by means of mass spectrometry and especially by tandem mass spectrometry is disclosed. The method preferably models the fragmentation of a peptide or protein in a tandem mass spectrometer to facilitate comparison with an experimentally determined spectrum. A fragmentation model is used which takes account of all possible fragmentation pathways which a particular sequence of amino acids may undergo. A peptide or protein may be identified by comparing an experimentally determined mass spectrum with spectra predicted using such a fragmentation model from a library of known peptides or proteins. Alternatively, a de novo method of determining the amino acid sequence of an unknown peptide using such a fragmentation model may be used.
摘要翻译： 公开了通过质谱鉴定蛋白质，多肽或肽的方法，特别是通过串联质谱法进行鉴定的方法。 该方法优选地模拟串联质谱仪中肽或蛋白质的断裂，以便于与实验确定的光谱进行比较。 考虑到氨基酸的特定序列可能经历的所有可能的断裂途径被使用的碎片模型。 肽或蛋白质可以通过将实验确定的质谱与使用已知肽或蛋白质文库的这种断裂模型预测的光谱进行比较来鉴定。 或者，可以使用使用这种分裂模型确定未知肽的氨基酸序列的从头方法。
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10.发明授权Method and system of identifying a sample by analyising a mass spectrum by the use of a bayesian inference technique 有权通过使用贝叶斯推理技术分析质谱来识别样品的方法和系统公开(公告)号：US08604421B2
公开(公告)日：2013-12-10
申请号：US13640859
申请日：2011-04-15
IPC分类号： H01J49/00
CPC分类号： H01J49/0036 , G01N30/8675 , G06K9/0057 , G06K9/6278 , H01J49/26
摘要： A method and system for the identification and/or characterization of properties of a sample using mass spectrometry. The method involves producing a measured spectrum of data from a sample using a mass spectrometer, deconvoluting the measured spectrum of data by Bayesian inference to produce a family of plausible deconvoluted spectra of data, inferring an underlying spectrum of data from the family of plausible deconvoluted spectra of data and using the underlying spectrum of data to identify and/or characterize the sample.
摘要翻译： 用于使用质谱鉴定和/或表征样品的性质的方法和系统。 该方法包括使用质谱仪从样品中产生测量的数据谱，通过贝叶斯推理解卷积测量的数据谱，以产生一系列合理的去卷积的数据谱，从可信解卷积频谱族中推断出数据的基础频谱 的数据并使用基础的数据谱来识别和/或表征样本。
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