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    • 43. 发明公开
    • METHOD AND SYSTEM FOR DETECTING PEPTIDE PEAKS IN HPLC-MS SIGNALS
    • 用于检测HPLC-MS信号中的肽峰的方法和系统
    • EP2153219A2
    • 2010-02-17
    • EP08776692.9
    • 2008-05-30
    • Politecnico di Milano
    • LEVANDER, FredrikCAPPADONA, SalvatorePATTINI, LindaCERUTTI, SergioJAMES, Peter
    • G01N30/86G06F17/00G06F17/14
    • G01N30/8675G01N30/8603G01N30/8617G01N30/8641
    • The present invention relates to a method, a computer tool and a system for detecting peptide peaks in measurement signals (11) generated by HPLC-MS instruments. The method comprises the steps of: providing an intensity column vector (SIC) representative of the elution values at a specific mass value (m/z) of the measurement signal (11); performing a wavelet decomposition (15) of such values of said intensity column vector (SIC) to generate a first processed vector (16) representative of the smoothed intensity values of the intensity column vector (SIC); providing a threshold value (S) and performing a wavelet decomposition (17) as a function of the value of said threshold (S) to generate the second processed vector (18) representative of said intensity column vector (SIC) cleaned of any oscillations generated by stochastic noise (e(t)); processing said first processed vector (16) and said second processed vector (18) to generate a third processed vector (19) identifying the baseline values of said intensity column vector (SIC); processing said intensity column vector (SIC) and said second (18) and third (19) vectors to generate e filtered vector (20) identifying any peak value (ZJ) below the background noise (12).
    • 本发明涉及用于检测由HPLC-MS仪器产生的测量信号(11)中的肽峰的方法,计算机工具和系统。 该方法包括以下步骤:提供表示在测量信号(11)的特定质量值(m / z)处的洗脱值的强度列矢量(SIC); 对所述强度列向量(SIC)的这些值执行小波分解(15)以产生表示强度列向量(SIC)的平滑强度值的第一经处理向量(16); 提供阈值(S)并根据所述阈值(S)的值执行小波分解(17)以产生表示所述强度列矢量(SIC)的第二经处理矢量(18),所述强度列矢量(SIC) 通过随机噪声(e(t)); 处理所述第一处理矢量(16)和所述第二处理矢量(18)以产生识别所述强度列矢量(SIC)的基线值的第三处理矢量(19); 处理所述强度列向量(SIC)和所述第二(18)和第三(19)向量以产生识别低于背景噪声(12)的任何峰值(ZJ)的e滤波向量(20)。
    • 49. 发明公开
    • CHROMATOGRAPH MASS SPECTROSCOPE
    • 色谱 - MASSENSPEKTROMETER
    • EP1995593A1
    • 2008-11-26
    • EP06715341.1
    • 2006-03-07
    • Shimadzu Corporation
    • SUMIYOSHI, Takashi
    • G01N30/72G01N27/62
    • G01N27/62G01N30/7233G01N30/8651G01N30/8658G01N30/8675G01N30/8696
    • In a chromatograph mass spectrometer capable of defining an appropriate measurement time range and selectively performing a scan measurement, selected ion monitoring (SIM) measurement or simultaneous scan/SIM measurement in that time range, a total ion chromatogram 51 obtained by a scan measurement of a standard sample and a previously-created compound table 52 are displayed on the screen of a display unit in the process of setting parameters in a measurement condition table. An operator selects a compound that should undergo the simultaneous scan/SIM measurement, then places a checkmark in an appropriate check box in the compound table 52, and finally clicks the "Auto-Create" button 54. Then, a measurement time range for the selected compound is defined by adding a time span before and after the retention time of that compound, respectively, and a measurement condition table 53 is automatically created and displayed on the screen. This table includes instructions for performing a simultaneous scan/SIM measurement at specific mass-to-charge ratios characteristic of the selected compound during the aforementioned measurement time range.
    • 在能够定义适当的测量时间范围并选择性地进行扫描测量,在该时间范围内选择离子监测(SIM)测量或同时扫描/ SIM测量)的色谱质谱仪中,通过扫描测量获得的总离子色谱图51 在测量条件表中设置参数的过程中,在显示单元的屏幕上显示标准样品和先前创建的复合表52。 操作员选择应进行同步扫描/ SIM测量的化合物,然后在复合表52中的相应复选框中设置复选标记,最后点击“自动创建”按钮54.然后,测量时间范围为 通过分别在该化合物的保留时间之前和之后添加时间跨度来定义所选择的化合物,并且自动创建测量条件表53并显示在屏幕上。 该表包括在上述测量时间范围内执行所选化合物的特定质荷比特性的同时扫描/ SIM测量的说明。