公开(公告)号：US12085544B2

公开(公告)日：2024-09-10

申请号：US17498203

申请日：2021-10-11

申请人： Srivatsan Mohana Rangan ,  Anca Delgado ,  Rosa Krajmalnik-Brown

发明人： Srivatsan Mohana Rangan ,  Anca Delgado ,  Rosa Krajmalnik-Brown

IPC分类号： G01N30/54 ,  G01N30/64 ,  G01N30/86 ,  G01N33/18

CPC分类号： G01N30/54 ,  G01N30/64 ,  G01N30/8679 ,  G01N33/182

摘要： Methods and systems for the detection and quantification of multiplicity of ionic analytes comprising CrO42−, AsO43−, SeO42−, and ClO4−, and optionally F−, Cl−, NO2−, NO3−, SO42−, using ion chromatography and suppressed ion conductivity. The method comprises loading a sample loop with a sample; injecting the sample from the sample loop into a column with an eluent, wherein the column comprises a guard column and an analytical column; separating, with the column, the injected sample at an effective separation temperature the injected sample in the presence of an organic modifier into a multiplicity of detectable ionic analytes; suppressing, with a suppressor, background signal; and detecting, with a detector, the multiplicity of ionic analytes.

公开(公告)号：US20240183829A1

公开(公告)日：2024-06-06

申请号：US18075177

申请日：2022-12-05

申请人： Halliburton Energy Services, Inc.

发明人： Jhanvi Manishkumar KEVADIYA ,  Mathew Dennis ROWE

IPC分类号： G01N30/86

CPC分类号： G01N30/8679 ,  G01N30/8668

摘要： Described herein are systems and techniques for improving operation of a gas chromatograph or a computer that identifies compounds that correspond to peaks in a graph of gas chromatograph data (chromatogram). Each of the peaks included in the chromatogram may be associated with retention times that are measured amounts of time that correspond to how long it took for respective compounds included in a sample to move through the gas chromatograph. Measured retention times may be compared to standard retention times to identify retention time shifts. These retention times shifts may correspond to a function that may be used to predict retention times of other compounds that could be included in the sample. When a measured retention time that is associated with an unclassified peak in the chromatogram matches a predicted retention time of a specific compound to a threshold level, the unclassified peak may be identified the specific compound.

公开(公告)号：US20230366863A1

公开(公告)日：2023-11-16

申请号：US18247796

申请日：2021-10-06

申请人： DH TECHNOLOGIES DEVELOPMENT PTE. LTD.

发明人： Stephen A. Tate ,  Lyle Lorrence Burton

IPC分类号： G01N30/86

CPC分类号： G01N30/8679 ,  G01N30/8631 ,  G01N30/8655 ,  G01N30/72

摘要： A compound is separated or introduced from a sample at a plurality of different times. The compound is ionized, producing an ion beam. The compound is selected and mass analyzed or the compound is selected, fragmented, and fragments of the compound are analyzed from the ion beam at the plurality of different times, producing a plurality of mass spectra. An XIC is calculated for the compound using the plurality of mass spectra. A chemical structure of the compound received in notation form is converted to a numerical vector using a processing algorithm operable to convert the notation form to the numerical vector. A plurality of peak shape parameters is calculated for the compound using the numerical vector and a machine trained model. A peak of the XIC is identified as a peak of the compound using the plurality of peak shape parameters and optionally a peak integration algorithm.

公开(公告)号：US10001462B2

公开(公告)日：2018-06-19

申请号：US15476408

申请日：2017-03-31

申请人： AGRICULTURAL CHEMICALS AND TOXIC SUBSTANCES RESEARCH INSTITUTE, COUNCIL OF AGRICULTURE, EXECUTIVE YUAN

发明人： Shao-Kai Lin ,  Wei-Chen Chuang

IPC分类号： G06K9/00 ,  G01N30/72 ,  G01N30/06 ,  G01N30/86

CPC分类号： G01N30/72 ,  G01N30/06 ,  G01N30/8679

摘要： A method and system for detecting pesticide residue in agricultural products. The system includes a chromatographic and mass-spectrometric system and a computer. The system inspects first and second sample solutions prepared from two identical extracts of an agricultural product. The first sample solution includes no additives while the second sample is added with a pesticide standard which is intended to be detected by the system for comparison. The computer compares the mass chromatograms of the first and second sample solutions, and calculate an increased integral area by which the peak of the second sample solution in the second mass chromatogram exceeds the peak of the first sample solution in the first mass chromatogram at the same retention time. As such, the concentration of pesticide residue in the sample can be determined by a ratio between the increased integral area and the concentration of the pesticide standard.

公开(公告)号：US09905405B1

公开(公告)日：2018-02-27

申请号：US15431618

申请日：2017-02-13

申请人： Thermo Finnigan LLC

发明人： Roza I. Viner ,  Michael A. Blank

IPC分类号： H01J49/00 ,  G01N30/72

CPC分类号： H01J49/0027 ,  G01N30/7233 ,  G01N30/8679 ,  G01N33/6848 ,  H01J49/004

摘要： A method of generating an inclusion list for targeted mass spectrometric analysis is disclosed. Experimentally-acquired data for a plurality of isobarically-labeled peptides of interest is received at a computer. The data includes, for each of the isobarically-labeled peptides, a mass-to-charge (m/z) ratio, a charge state, and a chromatographic retention time. Predicted properties for a corresponding unlabeled peptide are determined via the computer. The predicted properties include a predicted m/z, a predicted charge state, and a predicted chromatographic retention time. The predicted properties for each corresponding unlabeled peptide are stored to the inclusion list. The predicted chromatographic retention time for the corresponding unlabeled peptide is determined based on hydrophobicity indices of the isobarically-labeled peptide and the corresponding unlabeled peptide, and chromatographic conditions for the targeted mass spectrometric analysis.

公开(公告)号：US09847216B2

公开(公告)日：2017-12-19

申请号：US14827021

申请日：2015-08-14

申请人： Thermo Finnigan LLC

发明人： Aaron O. Bailey ,  Paul R. Gazis ,  David M. Horn

IPC分类号： H01J49/00 ,  G01N30/72 ,  G01N30/86

CPC分类号： H01J49/0036 ,  G01N30/72 ,  G01N30/7233 ,  G01N30/8679 ,  H01J49/004

摘要： A system for analyzing a sample includes a chromatographic device, a mass resolving device, and a data processor. The chromatographic device is configured to separate components of the sample using a chromatographic column. The mass resolving device is configured to characterize mass spectrographic properties of the separated components in an intact state, and fragment the separated components and characterize mass spectrographic properties of the resulting fragments. The data processor is configured to average chromatographic and mass spectrographic properties from a plurality of mass chromatographic data sets, generate an inclusion list identifying components for fragmentation, instruct the chromatographic device to repeat the separation of the sample and instruct the mass resolving device to fragment the components and characterize the mass spectrographic properties of the fragments, and identify at least one component based on the mass spectrographic properties of the intact state and the corresponding fragments.

公开(公告)号：US20170242028A1

公开(公告)日：2017-08-24

申请号：US15447838

申请日：2017-03-02

申请人： Waters Technologies Corporation

发明人： Erin E. Chambers ,  Martha Stapels ,  Joanne Mather

IPC分类号： G01N33/68 ,  G01N30/86 ,  G01N30/88 ,  G01N30/72

CPC分类号： G01N33/6848 ,  G01N30/7233 ,  G01N30/7266 ,  G01N30/8679 ,  G01N30/88 ,  G01N33/02 ,  G01N33/74 ,  G01N2030/8831 ,  Y10T436/24

摘要： A method for identifying a polypeptide a specimen can include (i) treating a specimen suspected of including an insulin with a base; (ii) extracting a first fraction of the treated specimen by solid phase extraction using a mixed mode or polymeric reversed-phase media and a first solvent including an acid; (iii) separating a component of the first fraction by liquid chromatography using a chromatographic surface including a hydrophobic surface group and one or more ionizable modifiers, and a second solvent including an acid; and (iv) analyzing the component of the first fraction by mass spectroscopy, thereby identifying the polypeptide, if present, using a signal corresponding to a sequence fragment ion from the polypeptide. The signal can correspond to an intact multiply charged precursor fragment selected in a first quadrupole and its corresponding sequence fragment ion selected in a final quadrupole.

公开(公告)号：US20170160245A1

公开(公告)日：2017-06-08

申请号：US15321027

申请日：2014-06-24

申请人： SHIMADZU CORPORATION

发明人： Megumi HIROOKA

IPC分类号： G01N30/46 ,  G01N30/86

CPC分类号： G01N30/46 ,  G01N30/463 ,  G01N30/861 ,  G01N30/8651 ,  G01N30/8679

摘要： A two-dimensional chromatogram creator creates a two-dimensional chromatogram based on data obtained for each of two samples. A chromatogram difference calculator creates a two-dimensional differential chromatogram showing the intensity difference between the two two-dimensional chromatograms. A blob detector detects blobs on each chromatogram. A matching-blob extractor compares the blobs located on the differential chromatogram with those located on each of the two other chromatograms, to extract blobs which can be considered to be located at the same temporal position. If there are two blobs extracted at the same temporal position on the two chromatograms, a normalized value of the intensity difference between the two blobs is calculated, and the line type of the boundary line for indicating the extracted blob on the display is chosen according to that value. Important blobs having significant intensity differences on the two chromatograms being compared can be automatically selected and presented to analysis operators.

公开(公告)号：US20170074840A1

公开(公告)日：2017-03-16

申请号：US15123452

申请日：2015-03-02

申请人： INDIAN INSTITUTE OF TECHNOLOGY, DELHI

发明人： Jayadeva DR. ,  Sanjit Singh BATRA ,  Munishwar Nath GUPTA ,  Joyeeta MUKHERJEE

IPC分类号： G01N30/86

CPC分类号： G01N30/8679 ,  G01N30/8693 ,  G01N30/8696

摘要： The present invention relates to techniques for determining unknown concentration of constituents of any known mixture. The said techniques comprising: obtaining a plurality of chromatograms relating to known concentration of known mixtures and at least one chromatogram relating to unknown concentration of the known mixture; converting each of the chromatograms into signal vectors; condensing the dimensions of each of the signal vectors for obtaining low dimensional signal vectors; processing the low dimensional signal vectors representing the chromatograms relating to known concentrations to obtain output values; and processing the at least one low dimensional signal vector representing the chromatogram relating to unknown concentration by utilizing the obtained output values for determining the unknown concentration of each of the constitutes of the known mixture.

摘要翻译： 本发明涉及用于确定任何已知混合物的组分的未知浓度的技术。 所述技术包括：获得与已知混合物的已知浓度相关的多个色谱图和与已知混合物的未知浓度有关的至少一个色谱图; 将每个色谱图转换为信号向量; 缩小每个信号矢量的尺寸以获得低维信号矢量; 处理表示与已知浓度相关的色谱图的低维信号矢量以获得输出值; 以及通过利用获得的输出值来处理表示与未知浓度相关的色谱图的至少一个低维信号矢量，以确定已知混合物的每个构成的未知浓度。

公开(公告)号：US20130289893A1

公开(公告)日：2013-10-31

申请号：US13869673

申请日：2013-04-24

申请人： SHIMADZU CORPORATION

发明人： Tomohiro KAWASE

IPC分类号： H01J49/00

CPC分类号： H01J49/0036 ,  G01N30/8679 ,  H01J49/4215

摘要： In processing chromatographic data, collected by performing a measurement for each of the segments which respectively define time ranges, a system determines whether there is any boundary sandwiched between two temporally continuous segments whose measurement modes are the same and which has the same m/z value designated by an operator to be displayed. If such a boundary exists, the measurement mode common to the two neighboring segments across that boundary is identified, and the system determines whether the parameter values corresponding to that measurement mode are the same. If they are the same, the partial chromatograms corresponding to the two segments show a temporal change in the intensity of the same kind of ion. Accordingly, the two neighboring measurement points across the boundary are connected by interpolation to create a chromatogram with no missing portion.

摘要翻译： 在处理色谱数据时，通过对分别限定时间范围的每个段执行测量来收集，系统确定是否存在夹在测量模式相同并且具有相同m / z值的两个时间连续的段之间的任何边界 由操作员指定要显示。 如果存在这样的边界，则识别跨越该边界的两个相邻段共同的测量模式，并且系统确定与该测量模式相对应的参数值是否相同。 如果它们相同，则对应于两个片段的部分色谱图显示相同种类离子的强度的时间变化。 因此，跨越边界的两个相邻的测量点通过插值连接以创建没有缺失部分的色谱图。