METHOD FOR ANALYZING SMALL MOLECULE COMPONENTS OF A COMPLEX MIXTURE IN A MULTI-SAMPLE PROCESS, AND ASSOCIATED APPARATUS AND COMPUTER PROGRAM PRODUCT
    2.
    发明公开
    METHOD FOR ANALYZING SMALL MOLECULE COMPONENTS OF A COMPLEX MIXTURE IN A MULTI-SAMPLE PROCESS, AND ASSOCIATED APPARATUS AND COMPUTER PROGRAM PRODUCT 审中-公开
    程序对于复杂的混合物中多样品技术方法分析小分子元器件及相关设备和计算机程序产品

    公开(公告)号:EP3149762A1

    公开(公告)日:2017-04-05

    申请号:EP15729638.5

    申请日:2015-05-28

    申请人: Metabolon, Inc.

    IPC分类号: H01J49/00 G01N33/68 G01N30/86

    摘要: A method, apparatus, and computer-readable storage medium for analyzing sample data from a component separation/mass spectrometer system. A profile plot is formed for each sample, each having retention time and intensity axes, the intensity being represented as a function of retention time for a selected sample ion mass. An intensity peak arrangement, including at least one identifying peak, each having a peak range and characteristic intensity, is identified for a selected ion in the profile plot for each sample. An orthogonal plot, corresponding to the profile plot, for each sample is formed, extending along the retention time axis perpendicularly to the intensity axis. The characteristic intensity of each of the at least one identifying peak is represented on the retention time axis of the orthogonal plot with gradated indicia.

    摘要翻译: 一种方法,装置,和计算机可读存储用于从组件分离/质谱仪系统中分析样品数据介质。甲轮廓图形成对每个样品,每一个具有的保留时间和强度轴,强度扯到保留的函数 时间用于所选择的样品的离子质量。 在峰强度的安排,包含至少一个识别峰,每一个都具有峰和范围强度的特性,被识别为在每个样品的轮廓图的选定的离子。 的正交图,对应于轮廓图,对于每一个样品中形成,沿着保持时间轴垂直地延伸到强度轴。 每个所述至少一个识别的峰的强度特性上表示与灰度的标记正交情节的保留时间轴线。

    APPARATUS AND ASSOCIATED METHOD FOR ANALYZING SMALL MOLECULE COMPONENTS IN A COMPLEX MIXTURE
    3.
    发明公开
    APPARATUS AND ASSOCIATED METHOD FOR ANALYZING SMALL MOLECULE COMPONENTS IN A COMPLEX MIXTURE 审中-公开
    设备和用于分析成分的小分子复杂混合物中的相关方法

    公开(公告)号:EP2486504A2

    公开(公告)日:2012-08-15

    申请号:EP10774032.6

    申请日:2010-10-01

    申请人: Metabolon Inc.

    IPC分类号: G06F19/24 G01N33/50

    摘要: A method, apparatus, and computer-readable storage medium are provided for analyzing data from a component separation/mass spectrometer (CS-MS), wherein an intensity peak is determined, with an area thereof determined using an integration procedure, in each two-dimensional data set. The intensity peak indicates a sample component, and the area thereof indicates a relative quantity of the sample component. An integration procedure determines the area of selected peaks of a first portion of the two-dimensional data sets associated with a first sample component, and is applied to the intensity peaks of a second portion having the areas thereof not determined by that integration procedure, to adjust the relative quantity of the first sample component in the second portion samples relative to the relative quantity of the first sample component in the first portion samples. The re-integration may also involve determining whether a second sample component is indicated by the intensity peak.

    摘要翻译: 提供了用于从一个成分分离/质谱仪(CS-MS)分析数据的方法,装置,和计算机可读存储介质,强度峰值的worin是确定性的开采,与在其面积确定性矿洞在每个双利用积分程序 三维数据集。 强度峰值表示样品组分,其面积表示样品组分的相对量。 积分过程确定性地雷与第一样本组件相关联的二维数据集的第一部分的选定的峰的面积,并且被施加到其未通过没有积分方法测定具有的区域的第二部分的强度峰值,对 调整第一样品组分的相对量相对于所述第一样品组分的第一部分样品中的相对量,第二部分样品英寸 无论第二采样分量由强度峰值所示的重新整合可因此涉及确定性挖掘。