公开(公告)号：US09989504B2

公开(公告)日：2018-06-05

申请号：US15486538

申请日：2017-04-13

申请人： SHIMADZU CORPORATION ,  THE UNIVERSITY OF TOKYO

发明人： Tsuyoshi Nakanishi ,  Masaki Yamada ,  Yoshihiro Kita ,  Suzumi Tokuoka

IPC分类号： H01J49/00 ,  G01N30/72 ,  G01N30/86 ,  G01N33/92 ,  H01J49/24 ,  H01J49/42

CPC分类号： G01N30/7233 ,  G01N30/8631 ,  G01N30/8682 ,  G01N33/92 ,  G06F19/00 ,  H01J49/0027 ,  H01J49/004 ,  H01J49/0045 ,  H01J49/24 ,  H01J49/4215

摘要： The operation efficiency and accuracy of the simultaneous analysis of phospholipids, including fatty acid compositions are increased. After a first-time LC/MS/MS analysis for determining the phospholipid classes of the phospholipid contained in a sample is performed (S2-S3), a second-time LC/MS/MS analysis for determining fatty acid compositions is performed only for the detected phospholipids (S4-S8). By associating a method list in which an MRM transition for phospholipid class determination is recorded for each compound of phospholipid classes with a method list in which an MRM transition for fatty acid composition determination is recorded for each phospholipid compound, it is possible to promptly select MRM transitions for fatty acid composition determination that correspond to compounds of the detected phospholipid classes, and to easily create an analysis method for the second-time analysis.

公开(公告)号：US09417220B2

公开(公告)日：2016-08-16

申请号：US14061086

申请日：2013-10-23

申请人： Frank C. Wang ,  Kuangnan Qian ,  Kathleen E. Edwards

发明人： Frank C. Wang ,  Kuangnan Qian ,  Kathleen E. Edwards

IPC分类号： G01N30/90 ,  G01N30/72 ,  G01N30/46 ,  G01N30/86 ,  G01N33/28 ,  H01J49/16 ,  H01J49/44

CPC分类号： G01N30/72 ,  G01N30/463 ,  G01N30/7206 ,  G01N30/8682 ,  G01N33/28 ,  H01J49/168 ,  H01J49/446

摘要： Petroleum or other hydrocarbon samples can be analyzed in parallel by 1) GC-field ionization Time of Flight Mass Spectrometer (GC-FI-TOF MS) and 2) two dimensional gas chromatography (2D-GC) equipped with a flame ionization detector (FID). The combined techniques allow for improved quantitative characterization of the compounds within a hydrocarbon sample. The techniques can be combined by correlating the 2D-GC FID data with the GC-FI-TOF MS data based on correlation of compound classes, correlation of retention windows within a compound class, correlation of individual compounds, such as paraffins, or a combination thereof.

摘要翻译： 石油或其他烃样品可以通过1）GC-场电离飞行时间质谱仪（GC-FI-TOF MS）和2）装备有火焰离子化检测器（FID）的二维气相色谱（2D-GC） ）。 组合的技术允许改进烃样品中化合物的定量表征。 这些技术可以通过将2D-GC FID数据与GC-FI-TOF MS数据相关联，基于化合物类别的相关性，化合物类别中的保留窗口的相关性，各种化合物如石蜡的相关性或组合 其中。

公开(公告)号：US20150107331A1

公开(公告)日：2015-04-23

申请号：US14061086

申请日：2013-10-23

申请人： Frank C. WANG ,  Kuangnan QIAN ,  Kathleen E. EDWARDS

发明人： Frank C. WANG ,  Kuangnan QIAN ,  Kathleen E. EDWARDS

IPC分类号： G01N30/72

CPC分类号： G01N30/72 ,  G01N30/463 ,  G01N30/7206 ,  G01N30/8682 ,  G01N33/28 ,  H01J49/168 ,  H01J49/446

摘要： Petroleum or other hydrocarbon samples can be analyzed in parallel by 1) GC-field ionization Time of Flight Mass Spectrometer (GC-FI-TOF MS) and 2) two dimensional gas chromatography (2D-GC) equipped with a flame ionization detector (FID). The combined techniques allow for improved quantitative characterization of the compounds within a hydrocarbon sample. The techniques can be combined by correlating the 2D-GC FID data with the GC-FI-TOF MS data based on correlation of compound classes, correlation of retention windows within a compound class, correlation of individual compounds, such as paraffins, or a combination thereof.

摘要翻译： 石油或其他烃样品可以通过1）GC-场电离飞行时间质谱仪（GC-FI-TOF MS）和2）装备有火焰离子化检测器（FID）的二维气相色谱（2D-GC） ）。 组合的技术允许改进烃样品中化合物的定量表征。 这些技术可以通过将2D-GC FID数据与GC-FI-TOF MS数据相关联，基于化合物类别的相关性，化合物类别中的保留窗口的相关性，各种化合物如石蜡的相关性或组合 其中。

公开(公告)号：US20140116112A1

公开(公告)日：2014-05-01

申请号：US13830388

申请日：2013-03-14

申请人： K & D LABORATORIES, INC.

发明人： David Kent HUMPHREY ,  Nicholas Joseph GEISE

IPC分类号： G01N30/72

CPC分类号： G01N30/7206 ,  G01N30/8682 ,  G01N2001/4061 ,  G01N2030/8872

摘要： Methods are provided for rapidly determining the presence or absence of large numbers of contaminants in a test sample, such as a raw material intended for use in the preparation of a nutraceutical. The disclosed methods employ gas chromatography-mass spectrometry techniques together with the specific use of software in combination with a database to analyze data collected after ionization of the sample and determine the presence or absence of the contaminants in the sample.

摘要翻译： 提供了用于快速确定测试样品中存在或不存在大量污染物的方法，例如用于制备营养保健品的原料。 所公开的方法采用气相色谱 - 质谱技术以及软件与数据库的具体使用，以分析样品电离后收集的数据并确定样品中是否存在污染物。

公开(公告)号：US20100102216A1

公开(公告)日：2010-04-29

申请号：US12444923

申请日：2006-10-31

申请人： Haruhiko Miyagawa

发明人： Haruhiko Miyagawa

IPC分类号： H01J49/26

CPC分类号： H01J49/0422 ,  G01N30/7206 ,  G01N30/8682

摘要： A chromatographic mass spectrometer 100, 150 is provided with a measuring portion 21 for measuring n-alkane of a number of different carbon numbers, and characterized by further having: a mass number storing portion 31 for storing the mass number for each n-alkane; and a mass chromatogram preparing portion 22 for preparing a mass chromatogram for each mass number by focusing on the mass number on the basis of the mass spectrum.

摘要翻译： 色谱质谱仪100,150设置有用于测量多个不同碳数的正烷烃的测量部分21，其特征在于还具有：存储每个正烷烃的质量数的质量数存储部分31; 以及质谱图制备部分22，用于通过基于质谱聚焦于质量数来制备每个质量数的质谱图。

公开(公告)号：US20090063102A1

公开(公告)日：2009-03-05

申请号：US12200636

申请日：2008-08-28

申请人： Gordana Ivosev ,  Ronald Bonner

发明人： Gordana Ivosev ,  Ronald Bonner

IPC分类号： G06F19/00

CPC分类号： G06K9/00543 ,  G01N30/72 ,  G01N30/8682 ,  G01N2030/862 ,  H01J49/0036

摘要： A method for identifying a convolved peak is described. A plurality of spectra is obtained. A multivariate analysis technique is used to assign data points from the plurality of spectra to a plurality of groups. A peak is selected from the plurality of spectra. If the peak includes data points assigned to two or more groups of the plurality of groups, the peak is identified as a convolved peak. Principal component analysis is one multivariate analysis technique that is used to assign data points. A number of principal components are selected. A subset principal component space is created. A data point in the subset principal component space is selected. A vector is extended from the origin of the subset principal component space to the data point. One or more data points within a spatial angle around the vector are assigned to a group.

摘要翻译： 描述了用于识别卷积峰的方法。 获得多个光谱。 多变量分析技术用于将数据点从多个频谱分配到多个组。 从多个光谱中选出峰。 如果峰值包括分配给多个组中的两个或更多个组的数据点，则将该峰识别为卷积峰。 主成分分析是一种用于分配数据点的多变量分析技术。 选择了多个主要组件。 创建子集主体组件空间。 选择子集主体组件空间中的数据点。 向量从子集主体组件空间的起点扩展到数据点。 在矢量周围的空间角度内的一个或多个数据点被分配给一个组。

公开(公告)号：US06354145B1

公开(公告)日：2002-03-12

申请号：US09355297

申请日：1999-07-28

申请人： Magnus Fransson ,  Lars Karlsson ,  Bengt Lagerholm ,  Anders Sparén

发明人： Magnus Fransson ,  Lars Karlsson ,  Bengt Lagerholm ,  Anders Sparén

IPC分类号： G01N3108

CPC分类号： G01N30/8651 ,  G01N30/8658 ,  G01N30/8682 ,  G01N2030/8804 ,  G01N2030/8886 ,  G01N2201/129

摘要： The present invention relates to a method for analyzing mixtures of components by a process selected from the group consisting of flow based separation processes and flow analysis processes. The method comprising the steps of: obtaining measurement signals by measuring process conditions at a plurality of positions throughout the system; applying signal processing to the measurement signals, said signal processing comprising multivariate data analysis for condensing the plurality of measurement signals to a smaller number of main signals being non-correlated; logging said main signals; and displaying said main signals versus time, where changes of said system conditions are indicated by one or more of the displayed main signals; detecting any error occurrence during an on going process, and determining what part of said system cause said error.

摘要翻译： 本发明涉及通过选自流体分离方法和流动分析方法的方法分析组分混合物的方法。 该方法包括以下步骤：通过测量整个系统中的多个位置处的处理条件来获得测量信号;对测量信号应用信号处理，所述信号处理包括多变量数据分析，用于将多个测量信号冷凝到较小数量的 主信号不相关;记录主信号; 以及显示所述主信号与时间的关系，其中所述系统条件的变化由所显示的主信号中的一个或多个指示;检测正在进行的过程中的任何错误发生，以及确定所述系统的哪一部分引起所述错误。

公开(公告)号：US09176102B2

公开(公告)日：2015-11-03

申请号：US13021061

申请日：2011-02-04

申请人： Frank C. Wang ,  Bryan E. Hagee

发明人： Frank C. Wang ,  Bryan E. Hagee

IPC分类号： G01N30/78 ,  G01N30/88 ,  G01N31/00 ,  G01N30/46 ,  G01N30/02 ,  G01N33/28

CPC分类号： G01N30/463 ,  G01N30/78 ,  G01N30/8682 ,  G01N33/2823 ,  G01N33/287 ,  G01N2030/025 ,  G01N2030/8854

摘要： A method to simulate distillation of a petroleum stream by comprehensive two-dimensional gas chromatography including the step of separating said petroleum stream with a two-dimensional gas chromatograph to determine polarity as a function of temperature, and integrating vertically the two-dimensional gas chromatograph at a given temperature to determine signal intensity as a function of temperature.

摘要翻译： 一种通过全面的二维气相色谱法模拟石油流的蒸馏的方法，包括用二维气相色谱仪分离所述石油流的步骤，以确定作为温度的函数的极性，并将二维气相色谱仪垂直于 给定温度以确定作为温度的函数的信号强度。

公开(公告)号：US20150162175A1

公开(公告)日：2015-06-11

申请号：US14103527

申请日：2013-12-11

申请人： Thermo Finnigan LLC

发明人： David A. WRIGHT

IPC分类号： H01J49/00

CPC分类号： H01J49/0027 ,  G01N30/8682 ,  G01N33/6848 ,  G01N2030/8831

摘要： A method of analyzing a liquid mixture comprising protein or peptide molecules mixed with other molecules comprises: passing a portion of the mixture through a liquid chromatograph so as to elute the molecules; transferring the eluted portions of the molecules to an ion source of a mass spectrometer so as to generate ions comprising a plurality of ion species therefrom; transferring the generated ion species to a mass analyzer for detection thereby; generating a respective record of the intensity-versus-time variation of each of a plurality of the detected ion species; identifying and distinguishing a set of ion species corresponding to the ions generated from the eluted portion of the protein or peptide analyte molecules based on the records of the intensity-versus-time variation; and performing at least one additional operation on ions of one or more of the distinguished ion species generated from the protein or peptide analyte molecules.

摘要翻译： 分析包含与其他分子混合的蛋白质或肽分子的液体混合物的方法包括：使一部分混合物通过液相色谱仪以洗脱分子; 将分子的洗脱部分转移到质谱仪的离子源，以产生其中包含多个离子物质的离子; 将生成的离子物质转移到质量分析器以进行检测; 产生多个检测到的离子种类中的每一个的强度 - 时间变化的相应记录; 基于强度对时间变化的记录，识别和区分对应于从蛋白质或肽分析物分子的洗脱部分产生的离子的一组离子种类; 以及对从蛋白质或肽分析物分子产生的一种或多种不同离子种类的离子进行至少一种附加操作。

公开(公告)号：US20140208825A1

公开(公告)日：2014-07-31

申请号：US13957911

申请日：2013-08-02

申请人： CONOCOPHILLIPS COMPANY

发明人： Albert G. HOLBA ,  Russell L. BONE ,  Bradley J. HUIZINGA ,  James R. VASQUEZ ,  Sean M. STOKES

IPC分类号： G01N30/02

CPC分类号： G01N30/88 ,  G01N30/8651 ,  G01N30/8682 ,  G01N33/2823 ,  G01N2030/8854

摘要： This method allows for prediction of subsurface fluid properties (e.g., phase or API gravity) using gas chromatogram data of a small-volume extract. Small volume equates to microliter scale volume (or milligram scale weight) from a subsurface rock sample, where a fluid test may not be available for analysis. The method may also be applied to petroleum liquid samples where drilling fluid or other contaminants preclude accurate direct property measurement. Gas chromatographic data is calibrated to measured petroleum properties; preferably local oils from the same petroleum system, however, a general global calibration can also be used.

摘要翻译： 该方法允许使用小体积提取物的气相色谱数据预测地下液体性质（例如，相位或API重力）。 小体积等于来自地下岩石样品的微量级体积（或毫克量级），其中流体测试可能不可用于分析。 该方法还可以应用于石油液体样品，其中钻井液或其他污染物排除准确的直接性质测量。 校准气相色谱数据以测量石油性质; 优选来自同一石油系统的局部油，但也可以使用一般的全局校准。