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1. 发明申请

WO2006050226A3 QUALITATIVE AND QUANTITATIVE MASS SPECTRAL ANALYSIS 审中-公开
标题翻译：质量和量子质谱分析
公开(公告)号：WO2006050226A3
公开(公告)日：2006-08-03
申请号：PCT/US2005039186
申请日：2005-10-28
申请人： CERNO BIOSCIENCE LLC , WANG YONGDONG , GU MING
发明人： WANG YONGDONG , GU MING
IPC分类号： H01J49/00
CPC分类号： H01J49/0009 , B01D59/44 , G01N33/6848 , G06K9/00543 , H01J49/0036
摘要： A method for analyzing data from a mass spectrometer includes the steps of acquiring raw mass spectral data in a profile mode (510); generating a peak list containing one of peak mass locations and peak mass ranges (510C) and being representative of candidate ions (510G); calculating a theoretical mass spectral isotope profile for each of the candidate ions (510H); forming a different peak component matrix for each of the candidate ions identified (510); performing regression analysis involving the peak component matrix for each of the candidate ions and the acquired profile mode data (510J); and ranking the candidate ions with a fitting statistic with that ion corresponding to the most significant statistic being the most likely candidate ion present (510K).
摘要翻译：用于分析来自质谱仪的数据的方法包括以简档模式获取原始质谱数据的步骤（510）; 产生包含峰质量位置和峰质量范围（510℃）中的一个并且代表候选离子（510G）的峰列表; 计算每个候选离子（510H）的理论质谱同位素谱; 为所识别的每个候选离子形成不同的峰分量矩阵（510）; 执行涉及每个候选离子的峰分量矩阵和所获取的分布模式数据（510J）的回归分析; 并用适合的统计量排列候选离子，其中对应于最显着统计量的离子是存在的最可能的候选离子（510K）。

2. 发明申请

WO2005040985A2 METHODS FOR CALIBRATING MASS SPECTROMETRY (MS) AND OTHER INSTRUMENT SYSTEMS AND FOR PROCESSING MS AND OTHER DATA 审中-公开
标题翻译：用于校准质谱（MS）和其他仪器系统和处理MS和其他数据的方法
公开(公告)号：WO2005040985A2
公开(公告)日：2005-05-06
申请号：PCT/US2004034618
申请日：2004-10-20
申请人： CERNO BIOSCIENCE LLC , WANG YONGDONG , GU MING
发明人： WANG YONGDONG , GU MING
IPC分类号： C12Q1/00 , G01D18/00 , G01N3/00 , G01N21/00 , G01N21/01 , G01N23/00 , G01P21/00 , G01R35/00 , G06F20060101 , G06F15/00 , G06K9/00 , H01J49/00 , G06F
CPC分类号： G06K9/00496 , H01J49/0009 , H01J49/0027
摘要： A method for obtaining at least one calibration filter for a Mass Spectrometry (MS) instrument system. Measured isotope peak cluster data in a mass spectral range is obtained for a given calibration standard. Relative isotope abundances and actual mass locations of isotopes corresponding thereto are calculated for the given calibration standard. Mass spectral target peak shape functions centered within respective mass spectral ranges are specified. Convolution operations are performed between the calculated relative isotope abundances and the mass spectral target peak shape functions to form calculated isotope peak cluster data. A deconvolution operation is performed between the measured isotope peak cluster data and the calculated isotope peak cluster data after the convolution operations to obtain the at least one calibration filter. Provisions are made for normalizing peak widths, combining internal and external calibration, and using selected measured peaks as standards. Aspects of the methods are applied to other analytical instruments.
摘要翻译：一种用于获得用于质谱（MS）仪器系统的至少一个校准滤波器的方法。对于给定的校准标准，获得质谱范围内的测量同位素峰聚类数据。对于给定的校准标准，计算与之对应的同位素的相对同位素丰度和实际质量位置。指定在各个质谱范围内居中的质谱目标峰形状函数。在所计算的相对同位素丰度和质谱目标峰形状函数之间进行卷积运算，以形成计算的同位素峰集群数据。在卷积操作之后，在所测量的同位素峰簇数据和计算出的同位素峰聚类数据之间进行解卷积运算，以获得至少一个校准滤波器。规定峰值宽度归一化，结合内部和外部校准，并使用选定的测量峰值作为标准。方法的各个方面适用于其他分析仪器。

3. 发明申请

WO2007140355A2 ANALYZING MASS SPECTRAL DATA 审中-公开
标题翻译：分析质谱数据
公开(公告)号：WO2007140355A2
公开(公告)日：2007-12-06
申请号：PCT/US2007069832
申请日：2007-05-28
申请人： CERNO BIOSCIENCE LLC , WANG YONGDONG , GU MING
发明人： WANG YONGDONG , GU MING
IPC分类号： G06F19/00 , H01J49/26
CPC分类号： H01J49/0036 , G06F19/703
摘要： A method for analyzing data from a mass spectrometer comprising obtaining calibrated continuum spectral data by processing raw spectral data (210); obtaining library spectral data which has been processed to form calibrated library data (240); and performing a least squares fit, preferably using matrix operations (270) (equation 1), between the calibrated continuum spectral data and the calibrated library data to determine concentrations of components in a sample (280) which generated the raw spectral data. A mass spectrometer system that operates in accordance with the method, a data library of transformed mass spectra, and a method for producing the data library.
摘要翻译：一种用于分析来自质谱仪的数据的方法，包括通过处理原始光谱数据（210）获得校准的连续谱数据; 获得已经处理以形成校准库数据（240）的库光谱数据; 并且在校准的连续谱数据和校准的库数据之间优选使用矩阵运算（等式1）进行最小二乘拟合，以确定产生原始光谱数据的样本（280）中的分量的浓度。根据该方法操作的质谱仪系统，变换质谱的数据库以及用于生成数据库的方法。

4. 发明申请

WO2006110848A2 CHROMATOGRAPHIC AND MASS SPECTRAL DATA ANALYSIS 审中-公开
标题翻译：色谱和质谱数据分析
公开(公告)号：WO2006110848A2
公开(公告)日：2006-10-19
申请号：PCT/US2006013723
申请日：2006-04-11
申请人： CERNO BIOSCIENCE LLC , WANG YONGDONG , GU MING
发明人： WANG YONGDONG , GU MING
IPC分类号： B01D59/44
CPC分类号： G01N30/8624 , G01N30/72 , G01N30/8637 , G01N30/8665 , G01N2030/042 , G06K9/00496
摘要： Apparatus, methods, and computer readable media for achieving chromatographic peak shape correction, noise filtering, peak detection, retention time determination, baseline correction, and peak area integration. A method comprises obtaining at least one actual chromatographic peak shape function from one of an internal standard, an external standard, or an analyte in the chromatogram; performing chromatographic peak detection using known peak shape functions with regression; reporting regression coefficients from the regression as one of peak area and peak location; and constructing a calibration curve to relate peak area to known concentrations. A method for constructing an extracted ion chromatogram, comprises calibrating a low resolution mass spectrometer for both mass and peak shape in profile mode; performing peak analysis and reporting mass locations and integrated peak areas; specifying a mass defect window; summing up all detected peaks with mass defects within the specified window to derive summed intensities; and plotting the summed intensities.
摘要翻译：用于实现色谱峰形修正，噪声滤波，峰检测，保留时间确定，基线校正和峰面积整合的装置，方法和计算机可读介质。一种方法包括从色谱图中的内标，外标或分析物之一获得至少一个实际色谱峰形函数; 使用已知的峰形函数进行色谱峰检测; 将回归系数归一化为峰面积和峰值位置之一; 并构建校准曲线以将峰面积与已知浓度相关联。一种构建提取的离子色谱图的方法，包括在轮廓模式下校准质谱和峰形的低分辨率质谱仪; 进行峰值分析和报告质量位置和综合峰值区域; 指定质量缺陷窗口; 将所有检测到的峰值与指定窗口内的质量缺陷相加以得出相加强度; 并绘制总和强度。

5. 发明专利

CA2542977A1 METHODS FOR CALIBRATING MASS SPECTROMETRY (MS) AND OTHER INSTRUMENT SYSTEMS AND FOR PROCESSING MS AND OTHER DATA 未知
公开(公告)号：CA2542977A1
公开(公告)日：2005-05-06
申请号：CA2542977
申请日：2004-10-20
申请人： CERNO BIOSCIENCE LLC
发明人： GU MING , WANG YONGDONG
IPC分类号： G06F19/00 , C12Q1/00 , G01D18/00 , G01N3/00 , G01N21/00 , G01N21/01 , G01N23/00 , G01P21/00 , G01R35/00 , G06F20060101 , G06F15/00 , G06K9/00 , H01J49/00

6. 发明专利

CA2585453C QUALITATIVE AND QUANTITATIVE MASS SPECTRAL ANALYSIS 未知
公开(公告)号：CA2585453C
公开(公告)日：2020-02-18
申请号：CA2585453
申请日：2005-10-28
申请人： CERNO BIOSCIENCE LLC
发明人： WANG YONGDONG , GU MING
IPC分类号： H01J49/00
摘要： A method for analyzing data from a mass spectrometer includes the steps of acquiring raw mass spectral data in a profile mode (510); generating a peak list containing one of peak mass locations and peak mass ranges (510C) and being representative of candidate ions (510G); calculating a theoretical mass spectral isotope profile for each of the candidate ions (510H); forming a different peak component matrix for each of the candidate ions identified (510); performing regression analysis involving the peak component matrix for each of the candidate ions and the acquired profile mode data (510J); and ranking the candidate ions with a fitting statistic with that ion corresponding to the most significant statistic being the most likely candidate ion present (510K).

7. 发明专利

CA2542977C METHODS FOR CALIBRATING MASS SPECTROMETRY (MS) AND OTHER INSTRUMENT SYSTEMS AND FOR PROCESSING MS AND OTHER DATA 未知
公开(公告)号：CA2542977C
公开(公告)日：2017-11-28
申请号：CA2542977
申请日：2004-10-20
申请人： CERNO BIOSCIENCE LLC
发明人： WANG YONGDONG , GU MING
IPC分类号： G01N37/00 , C12Q1/00 , C40B30/02 , G01D18/00 , G01N3/00 , G01N21/00 , G01N21/01 , G01N21/25 , G01N23/00 , G01N27/00 , G01N30/72 , G01N30/86 , G01P21/00 , G01R35/00 , G06F20060101 , G06F15/00 , G06F17/14 , G06K9/00 , H01J49/00 , H01J49/26
摘要： A method for obtaining at least one calibration filter for a Mass Spectrometry (MS) instrument system. Measured isotope peak cluster data in a mass spectral range is obtained for a given calibration standard. Relative isotope abundances and actual mass locations of isotopes corresponding thereto are calculated for the given calibration standard. Mass spectral target peak shape functions centered within respective mass spectral ranges are specified. Convolution operations are performed between the calculated relative isotope abundances and the mass spectral target peak shape functions to form calculated isotope peak cluster data. A deconvolution operation is performed between the measured isotope peak cluster data and the calculated isotope peak cluster data after the convolution operations to obtain the at least one calibration filter. Provisions are made for normalizing peak widths, combining internal and external calibration, and using selected measured peaks as standards. Aspects of the methods are applied to other analytical instruments.

8. 发明专利

CA2585453A1 QUALITATIVE AND QUANTITATIVE MASS SPECTRAL ANALYSIS 未知
公开(公告)号：CA2585453A1
公开(公告)日：2006-05-11
申请号：CA2585453
申请日：2005-10-28
申请人： CERNO BIOSCIENCE LLC
发明人： GU MING , WANG YONGDONG
IPC分类号： H01J49/00
摘要： A method for analyzing data from a mass spectrometer comprising acquiring raw profile mode data containing one or more ions and their isotopes in a mass spectral range; calculating theoretical isotope distributions for all ions of interest including native or labeled ions based on their molecular composition; convoluting the theoretical isotope distributions with target peak shape function specified during instrument calibration, actual peak shape functions, or approximated peak shape functions, to obtain theoretical isotope profiles for all ions; constructing a peak component matrix of relevant theoretical isotope profiles included as peak components; performing a weighted multiple linear regression between the profile mode data and the peak component matrix; and reporting regression coefficients as relative concentrations for each of the ions, or ranking these ions based on fitting statistics as search results. A mass spectrometer system (FIG. 1) operating in accordance with the method. Medium having computer code for operating the spectrometer.

9. 发明专利

CA2653400A1 ANALYZING MASS SPECTRAL DATA 未知
公开(公告)号：CA2653400A1
公开(公告)日：2007-12-06
申请号：CA2653400
申请日：2007-05-28
申请人： CERNO BIOSCIENCE LLC
发明人： GU MING , WANG YONGDONG
IPC分类号： B01D59/44 , H01J49/00
摘要： A method for analyzing data from a mass spectrometer comprising obtaining calibrated continuum spectral data by processing raw spectral data (210); o btaining library spectral data which has been processed to form calibrated l ibrary data (240); and performing a least squares fit, preferably using matr ix operations (270) (equation 1), between the calibrated continuum spectral data and the calibrated library data to determine concentrations of componen ts in a sample (280) which generated the raw spectral data. A mass spectrome ter system that operates in accordance with the method, a data library of tr ansformed mass spectra, and a method for producing the data library.

10. 发明专利

CA2604209A1 CHROMATOGRAPHIC AND MASS SPECTRAL DATA ANALYSIS 未知
公开(公告)号：CA2604209A1
公开(公告)日：2006-10-19
申请号：CA2604209
申请日：2006-04-11
申请人： CERNO BIOSCIENCE LLC
发明人： GU MING , WANG YONGDONG
IPC分类号： H01J49/00
摘要： A method for processing a chromatogram of a mass spectrometer (10), which comprises obtaining at least one actual chromatographic peak shape function (32); performing chromatographic peak detection (54) using known peak shape functions with regression; reporting regression coefficients from the regression as one of peak area and peak location (36); and constructing a calibration curve to relate peak area to known concentrations (18).

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