公开(公告)号：US20110125416A1

公开(公告)日：2011-05-26

申请号：US12995459

申请日：2008-06-04

申请人： Akira Noda ,  Yoshikatsu Umemura

发明人： Akira Noda ,  Yoshikatsu Umemura

IPC分类号： G06F19/00

CPC分类号： H01J49/0036

摘要： The present invention aims at providing a method and apparatus for analyzing a mass spectrum on which multivalent ion peaks originating from a target compound appear, and calculating the mass of the target compound. First, each peak on the mass spectrum is analyzed to detect isotopic clusters, and the valence and the representative point (m/z value) of each isotopic cluster are obtained (S1 through S3). Since the range of the m/z value of the component which is added to or desorbed from the compound is limited, by using this factor, the isotopic clusters originating from the same compound are deduced. By combining the deduced isotopic clusters, the candidates for the m/z value of the added/desorbed component are deduced (S5). Among the plurality of selected candidates, clearly abnormal candidates are eliminated by using a plurality of conditions such as the degree of distribution of the m/z values and the similarity of the relative intensities of the representative points of the isotopic clusters (S6 through S9). The candidate having the smallest distribution of m/z values or the candidate having the highest similarity of the relative intensities of the representative points is finally selected. After the m/z value of the added/desorbed component is determined, the mass of the compound is calculated (S 10 through S16).

摘要翻译： 本发明的目的在于提供一种用于分析出现来自目标化合物的多价离子峰的质谱的方法和装置，并计算目标化合物的质量。 首先分析质谱中的每个峰，以检测同位素簇，并获得每个同位素簇的价态和代表点（m / z值）（S1到S3）。 由于化合物添加或解吸的成分的m / z值的范围受到限制，因此通过使用该因子，推导出来自同一化合物的同位素簇。 通过组合推导的同位素簇，推导了加/解吸组分的m / z值的候选（S5）。 在多个选择的候选中，通过使用诸如m / z值的分布程度和同位素簇的代表点的相对强度的相似度的多个条件来消除明确的异常候选（S6至S9） 。 最终选择具有最小m / z值分布的候选者或代表点的相对强度相似度最高的候选者。 确定添加/解吸附成分的m / z值后，计算出化合物的质量（S10〜S16）。

公开(公告)号：US08666681B2

公开(公告)日：2014-03-04

申请号：US12995459

申请日：2008-06-04

申请人： Akira Noda ,  Yoshikatsu Umemura

发明人： Akira Noda ,  Yoshikatsu Umemura

IPC分类号： G06F19/00

CPC分类号： H01J49/0036

摘要： The present invention aims at providing a method and apparatus for analyzing a mass spectrum on which multivalent ion peaks originating from a target compound appear, and calculating the mass of the target compound. First, each peak on the mass spectrum is analyzed to detect isotopic clusters, and the valence and the representative point (m/z value) of each isotopic cluster are obtained (S1 through S3). Since the range of the m/z value of the component which is added to or desorbed from the compound is limited, by using this factor, the isotopic clusters originating from the same compound are deduced. By combining the deduced isotopic clusters, the candidates for the m/z value of the added/desorbed component are deduced (S5). Among the plurality of selected candidates, clearly abnormal candidates are eliminated by using a plurality of conditions such as the degree of distribution of the m/z values and the similarity of the relative intensities of the representative points of the isotopic clusters (S6 through S9). The candidate having the smallest distribution of m/z values or the candidate having the highest similarity of the relative intensities of the representative points is finally selected. After the m/z value of the added/desorbed component is determined, the mass of the compound is calculated (S10 through S16).

摘要翻译： 本发明的目的在于提供一种用于分析出现来自目标化合物的多价离子峰的质谱的方法和装置，并计算目标化合物的质量。 首先分析质谱中的每个峰，以检测同位素簇，并获得每个同位素簇的价态和代表点（m / z值）（S1到S3）。 由于化合物添加或解吸的成分的m / z值的范围受到限制，因此通过使用该因子，推导出来自同一化合物的同位素簇。 通过组合推导的同位素簇，推导了加/解吸组分的m / z值的候选（S5）。 在多个选择的候选中，通过使用诸如m / z值的分布程度和同位素簇的代表点的相对强度的相似度的多个条件来消除明确的异常候选（S6至S9） 。 最终选择具有最小m / z值分布的候选者或代表点的相对强度相似度最高的候选者。 在确定加/解组分的m / z值之后，计算化合物的质量（S10至S16）。

公开(公告)号：US07269994B2

公开(公告)日：2007-09-18

申请号：US11272071

申请日：2005-11-14

申请人： Yoshikatsu Umemura

发明人： Yoshikatsu Umemura

IPC分类号： G01N30/86 ,  G01N30/72 ,  G01N30/02

CPC分类号： G01N30/8624 ,  G01N30/72 ,  G01N30/82 ,  G01N30/8631

摘要： The present invention provides a chromatograph/mass spectrometer capable of producing a composite chromatogram from plural chromatogram signals without causing the baseline level to rise or the intensity of the chromatogram peak to decrease. The chromatograph/mass spectrometer includes a chromatograph unit for separating a sample into components in the order of time, a mass spectrometer unit for analyzing the components of the sample, and a signal generator for producing a signal carrying a chromatogram obtained by the analysis. It also includes a chromatogram composer for receiving signals of plural chromatograms simultaneously measured under different conditions, for choosing the largest value of the plural signals for each point in time, and for integrating the chosen values to produce a composite chromatogram.

摘要翻译： 本发明提供一种能够从多个色谱图信号产生复合色谱图而不引起基线水平升高或色谱峰强度降低的色谱/质谱仪。 色谱仪/质谱仪包括用于按时间顺序将样品分离成组分的色谱单元，用于分析样品组分的质谱仪单元和用于产生携带通过分析获得的色谱图的信号的信号发生器。 它还包括用于接收在不同条件下同时测量的多个色谱图的信号的色谱图组合物，用于选择每个时间点的多个信号的最大值，并用于积分所选择的值以产生复合色谱图。

公开(公告)号：US08044347B2

公开(公告)日：2011-10-25

申请号：US12425114

申请日：2009-04-16

申请人： Yoshitake Yamamoto ,  Yoshikatsu Umemura

发明人： Yoshitake Yamamoto ,  Yoshikatsu Umemura

IPC分类号： H01J49/00

CPC分类号： H01J49/0036

摘要： Intensity data of the signals produced by an ion detector are sequentially stored in a data processor, with each piece of intensity data being associated with time t required for each of the various ions ejected from an ion trap to fly through a time-of-flight space and reach the ion detector. The data obtained within a time range T2 corresponding to a measurement mass range are extracted as profile data. The data obtained within either a time range T1 before the arrival of an ion having the smallest m/z value or a time range T3 after the arrival of an ion having the largest m/z value are extracted as noise component data. Various kinds of noise information such as the noise level or standard deviation are calculated from the noise component data. Based on this noise information, a noise component is removed from the profile data. For every mass scan cycle, the noise component data and profile data are almost simultaneously obtained. Therefore, even if the electrical noise from the ion detector changes with time, the noise can be properly removed with little influence from that change of the noise.

摘要翻译： 由离子检测器产生的信号的强度数据被顺序地存储在数据处理器中，每个强度数据与从离子阱排出的各种离子中的每一个所需的时间t相关联，以飞过飞行时间 空间并到达离子检测器。 在与测量质量范围对应的时间范围T2内获得的数据被提取为简档数据。 在具有最小m / z值的离子到达之后的时间范围T1内或在具有最大m / z值的离子到达之后的时间范围T3中获得的数据被提取作为噪声分量数据。 根据噪声分量数据计算噪声电平或标准偏差等各种噪声信息。 基于该噪声信息，从轮廓数据中去除噪声分量。 对于每个质量扫描周期，几乎同时获得噪声分量数据和轮廓数据。 因此，即使来自离子检测器的电噪声随时间而变化，也可以从噪声的变化几乎没有影响地适当地去除噪声。

公开(公告)号：US20090026360A1

公开(公告)日：2009-01-29

申请号：US11914279

申请日：2006-04-27

申请人： Kazuo Yamauchi ,  Yoshitake Yamamoto ,  Yoshikatsu Umemura

发明人： Kazuo Yamauchi ,  Yoshitake Yamamoto ,  Yoshikatsu Umemura

IPC分类号： B01D59/44

CPC分类号： H01J49/0036 ,  G16C20/20 ,  Y10T436/24

摘要： In a mass analysis data analyzing apparatus, centroid data is used as mass spectrum data to be analyzed. First, peaks on the centroid data are specified in order of intensity as a standard peak for identifying an isotopic cluster. The isotopic cluster is detected by comparing an emerging pattern of peaks near the standard peak and an emerging pattern of peaks of an expected isotopic cluster in the case where each valence is assumed. The valence of the determined isotopic cluster is set as the valence of the peaks belonging to the isotopic cluster, and the peak at the forefront of cluster is selected as a monoisotopic peak. With such a mass analysis data analyzing apparatus, it is possible to determine the valence of each peak and identify the monoisotopic peak in a mass spectrum.

摘要翻译： 在质量分析数据分析装置中，质心数据用作要分析的质谱数据。 首先，质心数据的峰值以强度的顺序指定为用于识别同位素簇的标准峰。 通过比较在假定每个化合价的情况下，标准峰附近出现的峰出现和预期同位素簇的峰出现模式，可以检测同位素簇。 确定的同位素簇的价态被设置为属于同位素簇的峰的价态，并且选择簇的最前沿的峰作为单同位素峰。 利用这样的质量分析数据分析装置，可以确定每个峰的价态并识别质谱中的单同位素峰。

公开(公告)号：US20060101898A1

公开(公告)日：2006-05-18

申请号：US11272071

申请日：2005-11-14

申请人： Yoshikatsu Umemura

发明人： Yoshikatsu Umemura

IPC分类号： G01N30/02

CPC分类号： G01N30/8624 ,  G01N30/72 ,  G01N30/82 ,  G01N30/8631

摘要： The present invention provides a chromatograph/mass spectrometer capable of producing a composite chromatogram from plural chromatogram signals without causing the baseline level to rise or the intensity of the chromatogram peak to decrease. The chromatograph/mass spectrometer includes a chromatograph unit for separating a sample into components in the order of time, a mass spectrometer unit for analyzing the components of the sample, and a signal generator for producing a signal carrying a chromatogram obtained by the analysis. It also includes a chromatogram composer for receiving signals of plural chromatograms simultaneously measured under different conditions, for choosing the largest value of the plural signals for each point in time, and for integrating the chosen values to produce a composite chromatogram.

摘要翻译： 本发明提供一种能够从多个色谱图信号产生复合色谱图而不引起基线水平升高或色谱峰强度降低的色谱/质谱仪。 色谱仪/质谱仪包括用于按时间顺序将样品分成组分的色谱单元，用于分析样品组分的质谱仪单元和用于产生携带通过分析获得的色谱图的信号的信号发生器。 它还包括用于接收在不同条件下同时测量的多个色谱图的信号的色谱图组合物，用于选择每个时间点的多个信号的最大值，以及对所选择的值进行积分以产生复合色谱图。

公开(公告)号：US06847037B2

公开(公告)日：2005-01-25

申请号：US10440113

申请日：2003-05-19

申请人： Yoshikatsu Umemura

发明人： Yoshikatsu Umemura

IPC分类号： G01N27/62 ,  H01J49/42

CPC分类号： H01J49/424 ,  H01J49/428

摘要： In an ion trap mass spectrometer including a ring electrode and a pair of end cap electrodes placed opposite each other with the ring electrode therebetween, where an ion trap space is defined by the ring electrode and the pair of end cap electrodes, the frequency determining section of the controller determines a plurality of frequencies or a plurality of frequency channels each corresponding to a mass to charge ratio of an ion to be selected. The wide-band RF signal generator generates a wide-band RF signal having a plurality of notches each corresponding to each of the plurality of frequencies or the plurality of frequency channels. Then the voltage controller applies a voltage corresponding to the wide-band RF voltage to the pair of end cap electrodes, whereby ions having mass to charge ratios corresponding to the frequencies or frequency channels remain in the ion trap space but other ions are ejected from the ion trap space.

摘要翻译： 在包括环形电极和一对端盖电极的离子阱质谱仪中，其间具有环形电极而彼此相对放置，其中离子阱空间由环形电极和一对端盖电极限定，频率确定部分 控制器确定多个频率或多个频率信道，每个频率信道对应于要选择的离子的质荷比。 宽带RF信号发生器产生具有多个对应于多个频率或多个频率信道中的每一个的多个缺口的宽带RF信号。 然后，电压控制器将对应于宽带RF电压的电压施加到一对端盖电极，由此离子具有对应于频率或频率通道的质量与充电比率保留在离子阱空间中，但是其他离子从 离子阱空间。

公开(公告)号：US06677583B2

公开(公告)日：2004-01-13

申请号：US10013707

申请日：2001-12-13

申请人： Yoshikatsu Umemura

发明人： Yoshikatsu Umemura

IPC分类号： B01D5944

CPC分类号： H01J49/04 ,  G01N30/72 ,  G01N30/78 ,  G01N30/82 ,  G01N30/8631 ,  G01N30/8644 ,  G01N2030/8804

摘要： The present invention proposes a liquid chromatograph/mass spectrometer (LC/MS) constructed so that only necessary data are efficiently collected, and that the apparent dynamic range and/or the operational condition of the MS part is appropriately changed according to the concentrations and/or the qualitative information of the sample components coming from the LC part. In the LC/MS, the passage of the carrier liquid is designed so that the carrier liquid containing the sample is first introduced to an auxiliary detector and then to a main detector (mass spectrometer) with a delay of a preset time period. During the analysis, a controller constructs a chromatogram from the output signal of the auxiliary detector and analyzes its waveform to determine in real-time a time period ts0-te0 corresponding to each peak in the chromatogram. Then, the controller collects the measurement data by the main detector only within a time period ts1-te1 which has a delay of the preset time period &Dgr;t from the above time period ts0-te0.

摘要翻译： 本发明提出了一种液相色谱仪/质谱仪（LC / MS），其构造为仅有效收集必要的数据，并且根据浓度和/或浓度适当地改变MS部件的表观动态范围和/或操作条件， 或来自LC部分的样品成分的定性信息。 在LC / MS中，载体液体的通过被设计成使得含有样品的载液首先被引入到辅助检测器中，然后被引入主检测器（质谱仪），延迟预设的时间段。 在分析期间，控制器从辅助检测器的输出信号构建色谱图，并分析其波形，实时确定色谱图中每个峰对应的时间段ts0-te0。 然后，控制器仅在具有从上述时间段ts0-te0的预设时间段Deltat延迟的时间段ts1-te1内由主检测器收集测量数据。

公开(公告)号：US08067729B2

公开(公告)日：2011-11-29

申请号：US12767135

申请日：2010-04-26

申请人： Kazuo Yamauchi ,  Yoshitake Yamamoto ,  Yoshikatsu Umemura

发明人： Kazuo Yamauchi ,  Yoshitake Yamamoto ,  Yoshikatsu Umemura

IPC分类号： B01D59/44

CPC分类号： H01J49/0036 ,  G06F19/703 ,  Y10T436/24

摘要： In a mass analysis data analyzing apparatus, centroid data is used as mass spectrum data to be analyzed. First, peaks on the centroid data are specified in order of intensity as a standard peak for identifying an isotopic cluster. The isotopic cluster is detected by comparing an emerging pattern of peaks near the standard peak and an emerging pattern of peaks of an expected isotopic cluster in the case where each valence is assumed. The valence of the determined isotopic cluster is set as the valence of the peaks belonging to the isotopic cluster, and the peak at the forefront of cluster is selected as a monoisotopic peak. With such a mass analysis data analyzing apparatus, it is possible to determine the valence of each peak and identify the monoisotopic peak in a mass spectrum.

摘要翻译： 在质量分析数据分析装置中，质心数据用作要分析的质谱数据。 首先，质心数据的峰值以强度的顺序指定为用于识别同位素簇的标准峰。 通过比较在假定每个化合价的情况下，标准峰附近出现的峰出现和预期同位素簇的峰出现模式，可以检测同位素簇。 确定的同位素簇的价态被设置为属于同位素簇的峰的价态，并且选择簇的最前沿的峰作为单同位素峰。 利用这样的质量分析数据分析装置，可以确定每个峰的价态并识别质谱中的单同位素峰。

公开(公告)号：US20090266983A1

公开(公告)日：2009-10-29

申请号：US12425114

申请日：2009-04-16

申请人： Yoshitake YAMAMOTO ,  Yoshikatsu Umemura

发明人： Yoshitake YAMAMOTO ,  Yoshikatsu Umemura

IPC分类号： H01J49/40

CPC分类号： H01J49/0036

摘要： Intensity data of the signals produced by an ion detector are sequentially stored in a data processor, with each piece of intensity data being associated with time t required for each of the various ions ejected from an ion trap to fly through a time-of-flight space and reach the ion detector. The data obtained within a time range T2 corresponding to a measurement mass range are extracted as profile data. The data obtained within either a time range T1 before the arrival of an ion having the smallest m/z value or a time range T3 after the arrival of an ion having the largest m/z value are extracted as noise component data. Various kinds of noise information such as the noise level or standard deviation are calculated from the noise component data. Based on this noise information, a noise component is removed from the profile data. For every mass scan cycle, the noise component data and profile data are almost simultaneously obtained. Therefore, even if the electrical noise from the ion detector changes with time, the noise can be properly removed with little influence from that change of the noise.

摘要翻译： 由离子检测器产生的信号的强度数据被顺序地存储在数据处理器中，每个强度数据与从离子阱排出的各种离子中的每一个所需的时间t相关联，以飞过飞行时间 空间并到达离子检测器。 在与测量质量范围对应的时间范围T2内获得的数据被提取为简档数据。 在具有最小m / z值的离子到达之后的时间范围T1内或在具有最大m / z值的离子到达之后的时间范围T3中获得的数据被提取作为噪声分量数据。 根据噪声分量数据计算噪声电平或标准偏差等各种噪声信息。 基于该噪声信息，从轮廓数据中去除噪声分量。 对于每个质量扫描周期，几乎同时获得噪声分量数据和轮廓数据。 因此，即使来自离子检测器的电噪声随时间而变化，也可以从噪声的变化几乎没有影响地适当地去除噪声。