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1. 发明授权

US11424114B2 Predicting molecular collision cross-section using differential mobility spectrometry 有权
公开(公告)号：US11424114B2
公开(公告)日：2022-08-23
申请号：US16767760
申请日：2018-11-19
申请人： DH TECHNOLOGIES DEVELOPMENT PTE. LTD.
发明人： John Lawrence Campbell , Scott Hopkins
IPC分类号： H01J49/00 , G06N20/20 , G01N27/62 , G01N27/623
摘要： A plurality of known compounds with known CCS values is analyzed using a DMS device. The DMS device determines how the intensities of their transmitted ions vary with different separation voltages (SVs) and compensation voltages (CVs). A machine learning algorithm builds a data model from the known m/z value, known CCS value, and measured pairs of CV and SV values that provide optimal transmission through the DMS device for each of the known compounds. An unknown compound with an unknown CCS value is then analyzed. The DMS device determines how the intensity of its ions varies with the same different SVs and CVs. Finally, the machine learning algorithm predicts the CCS value of the unknown compound from the data model, the known m/z of the unknown compound, and the measured pairs of CV and SV values that provide optimal transmission through the DMS device for the unknown compound.

2. 发明申请

US20190137447A1 METHODS FOR DETECTION OF SAMPLE ENANTIOMERS USING DIFFERENTIAL MOBILITY SPECTROMETRY 审中-公开
公开(公告)号：US20190137447A1
公开(公告)日：2019-05-09
申请号：US16093681
申请日：2017-04-12
申请人： DH TECHNOLOGIES DEVELOPMENT PTE. LTD.
发明人： John Lawrence Campbell
IPC分类号： G01N27/62 , H01J49/04 , H01J49/10 , C07B63/00
摘要： Methods and systems for separating, detecting, and/or quantifying sample enantiomers using differential mobility spectrometry (DMS) are provided herein. In accordance with various aspects of the applicant's teachings, the methods and systems can provide for the separation of racemic or non-racemic mixtures of sample enantiomers that may be difficult to separate with conventional techniques, such as mass spectrometry (MS), by reacting the sample enantiomers with an enantiomerically-pure compound to form diastereomers separable by DMS.

3. 发明授权

US10128093B2 Method for deconvolution 有权
公开(公告)号：US10128093B2
公开(公告)日：2018-11-13
申请号：US15576874
申请日：2016-05-26
申请人： DH Technologies Development Pte. Ltd.
发明人： Stephen A. Tate , John Lawrence Campbell
IPC分类号： H01J49/00
摘要： Systems and methods prevent potentially convolved precursor ion peaks from being excluded in subsequent cycles of an IDA experiment so that additional product ion data is collected. A sample is ionized producing an ion beam. A plurality of cycles of an IDA experiment are performed on the ion beam. During each cycle of the IDA experiment and for each precursor ion peak on a filtered peak list produced in the filtering step of each cycle, several steps are performed. The precursor ion peak is identified in the precursor ion spectrum produced in the MS survey scan step of the cycle. It is determined if the precursor ion peak in the precursor ion spectrum includes a feature of convolution. If the precursor ion peak includes a feature of convolution, the precursor ion peak is prevented from being excluded in a filtering step of one or more subsequent cycles.

4. 发明申请

US20170117124A1 Methods For Analysis of Lipids Using Mass Spectrometry 审中-公开
公开(公告)号：US20170117124A1
公开(公告)日：2017-04-27
申请号：US15316915
申请日：2015-06-04
申请人： DH Technologies Development PTE Ltd.
发明人： Takashi Baba , John Lawrence Campbell
IPC分类号： H01J49/00 , H01J49/42
CPC分类号： H01J49/0054 , G01N33/92 , H01J49/0072 , H01J49/4225
摘要： A method and apparatus for analyzing samples using mass spectrometry are disclosed. The apparatus includes a reaction device configured to dissociate sample ions into fragments by reacting the sample ions with a charged species (e.g., electrons) such as through ECD, EID, or EIEIO. The kinetic energy of the charged species is such that the fragments may be detected and produce spectra that allow for the determination of isomeric species in the sample and the location of double bonds of sample molecules. The fragments may include radical fragments and non-radical fragments. The apparatus may also include an oxygen gas source configured to react with the radical fragments to produce oxygen-radical fragments. Spectra resulting from analysis of the fragments may allow for the determination of the oxygen-radical fragments resulting from the dissociation of the sample molecules.

5. 发明申请

US20150332904A1 Parsing Events During MS3 Experiments 有权
标题翻译：在MS3实验期间解析事件
公开(公告)号：US20150332904A1
公开(公告)日：2015-11-19
申请号：US14443933
申请日：2013-11-21
申请人： DH TECHNOLOGIES DEVELOPMENT PTE. LTD.
发明人： John Lawrence Campbell
IPC分类号： H01J49/00
CPC分类号： H01J49/005 , H01J49/0031
摘要： Systems and methods are provided for reducing the time period of a CID event of an MS3 experiment and making the overall fragmentation event more generic. A CID event of an MS3 experiment performed on a sample by a mass spectrometer is divided into two time periods using a processor. At the beginning of a first time period of the CID event, the mass spectrometer is instructed to both open a pulse valve in order to pulse a collision gas and apply a first CID voltage. At the beginning of a second time period of the CID event, the mass spectrometer is instructed to both close the pulse valve and apply a second CID voltage. The mass spectrometer is pumped down during the second time period. The overlap in time of the pump down and CID reduces the overall time period of the CID event.
摘要翻译：提供了系统和方法来减少MS3实验的CID事件的时间周期，并使整个碎片事件更为通用。通过质谱仪对样品进行的MS3实验的CID事件使用处理器分成两个时间段。在CID事件的第一时间段开始时，指示质谱仪打开脉冲阀以便脉冲碰撞气体并施加第一CID电压。在CID事件的第二时间段开始时，指示质谱仪关闭脉冲阀并施加第二CID电压。质谱仪在第二时间内被抽出。泵送时间和CID的重叠减少了CID事件的总体时间。

6. 发明申请

US20140264009A1 DIFFERENTIAL MOBILITY SPECTROMETER AND METHODS THEREOF 有权
标题翻译：差分移动光谱仪及其方法
公开(公告)号：US20140264009A1
公开(公告)日：2014-09-18
申请号：US14361378
申请日：2012-11-21
申请人： DH Technologies Development Pte. Ltd.
发明人： John Lawrence Campbell , Yves LeBlanc
IPC分类号： G01N27/62
CPC分类号： G01N27/624 , G01N27/622 , G01N33/6848 , H01J49/0072
摘要： An apparatus and method are provided for analyzing samples of molecules. The apparatus comprises a mass analysis system including a differential mobility spectrometer, which includes at least three filter electrodes defining two ion flow paths where the filter electrodes generate electric fields for passing through selected portions of the sample ions based on the mobility characteristics of the sample ions. The differential mobility spectrometer also includes a voltage source that provides DC and RF voltages to at least one of the filter electrodes to generate the electric field, a first and a second ion inlet that receive sample ions, and an ion outlet that outputs the selected portion of the sample ions. A mass spectrometer receives some or all of the selected portion of the sample ions.
摘要翻译：提供了用于分析分子样品的装置和方法。该装置包括质量分析系统，其包括差动迁移谱仪，其包括限定两个离子流动路径的至少三个过滤器电极，其中过滤电极基于样品离子的迁移率特性产生用于穿过样本离子的选定部分的电场。差动迁移谱仪还包括电压源，其向至少一个滤波电极提供DC和RF电压以产生电场;接收样品离子的第一和第二离子入口;以及输出所选部分的离子出口的样品离子。质谱仪接收样品离子的部分或全部选定部分。

7. 发明申请

US20220359179A1 Predicting Molecular Collision Cross-Section Using Differential Mobility Spectrometry 有权
公开(公告)号：US20220359179A1
公开(公告)日：2022-11-10
申请号：US17814256
申请日：2022-07-22
申请人： Scott Hopkins , DH TECHNOLOGIES DEVELOPMENT PTE. LTD.
发明人： John Lawrence Campbell , Scott Hopkins
IPC分类号： H01J49/00 , G06N20/20 , G01N27/62 , G01N27/623
摘要： A plurality of known compounds with known CCS values is analyzed using a DMS device. The DMS device determines how the intensities of their transmitted ions vary with different separation voltages (SVs) and compensation voltages (CVs). A machine learning algorithm builds a data model from the known m/z value, known CCS value, and measured pairs of CV and SV values that provide optimal transmission through the DMS device for each of the known compounds. An unknown compound with an unknown CCS value is then analyzed. The DMS device determines how the intensity of its ions varies with the same different SVs and CVs. Finally, the machine learning algorithm predicts the CCS value of the unknown compound from the data model, the known m/z of the unknown compound, and the measured pairs of CV and SV values that provide optimal transmission through the DMS device for the unknown compound.

8. 发明申请

US20170248548A1 Dynamic Orthogonal Analysis Method 审中-公开
公开(公告)号：US20170248548A1
公开(公告)日：2017-08-31
申请号：US15516387
申请日：2015-09-21
申请人： DH Technologies Development Pte. Ltd.
发明人： John Lawrence Campbell , Eva Duchoslav , Yves Le Blanc , David M. Cox
IPC分类号： G01N27/62
CPC分类号： G01N27/624 , H01J49/0031 , H01J49/0036 , H01J49/004 , H01J49/0045
摘要： Systems and methods are provided for providing a DMS precursor ion survey scan. An ion source configured to receive a sample is instructed to ionize the sample using a processor. A DMS device configured to receive ions from the ion source is instructed to separate precursor ions received from the ion source and transmit precursor ions using two or more CoVs using the processor. A mass analyzer configured to receive transmitted precursor ions from the DMS device is instructed to measure the m/z intensities of the transmitted precursor ions across an m/z range at each CoV of the two or more CoVs using the processor. The measured m/z intensities of the transmitted precursor ions received from the mass analyzer are stored as a function of m/z value and CoV using the processor. This produces a stored two-dimensional mapping of m/z intensities of the precursor ions of the sample.

9. 发明申请

US20150129762A1 REDUCING INTERFERENCES IN ISOBARIC TAG-BASED QUANTIFICATION 有权
标题翻译：降低基于标准的基于标准的量化中的干扰
公开(公告)号：US20150129762A1
公开(公告)日：2015-05-14
申请号：US14401399
申请日：2013-05-17
申请人： DH Technologies Development Pte. Ltd.
发明人： John Lawrence Campbell , Yves LeBlanc
IPC分类号： G01N27/62 , H01J49/00
CPC分类号： G01N27/624 , H01J49/0031 , H01J49/0431
摘要： Methods and systems for performing mass spectrometry of analytes labeled with isobaric tags are provided herein. In accordance with various aspects of the applicants' teachings, the methods and systems can enable enhanced discrimination between an analyte of interest and one or more interfering species when using isobaric tagging techniques.
摘要翻译：本文提供了用等压标签标记的分析物进行质谱分析的方法和系统。根据申请人的教导的各个方面，当使用等压标签技术时，方法和系统可以增强感兴趣的分析物与一种或多种干扰物质之间的增强的区分。

10. 发明申请

US20150097113A1 Modulation of Instrument Resolution Dependant upon the Complexity of a Previous Scan 有权
标题翻译：仪器分辨率的调制取决于以前扫描的复杂性
公开(公告)号：US20150097113A1
公开(公告)日：2015-04-09
申请号：US14401034
申请日：2013-04-19
申请人： DH TECHNOLOGIES DEVELOPMENT PTE. LTD.
发明人： John Lawrence Campbell , Stephen A. Tate
IPC分类号： H01J49/00
CPC分类号： H01J49/0081 , H01J49/0027 , H01J49/0031 , H01J49/004
摘要： Systems and methods are used to analyze a sample using variable detection scan resolutions. A tandem mass spectrometer is instructed to perform at least two scans of a sample with different detection scan resolutions using a processor. The tandem mass spectrometer includes a mass analyzer that allows variable detection scan resolutions. The selection of the different detection scan resolutions can be based on one or more properties of sample compounds. The properties may include a sample compound molecular weight distribution that is calculated from a molecular weight distribution of expected compounds or is determined from a list of molecular weights for one or more known compounds. The tandem mass spectrometer can also be instructed to perform an analysis of the sample before instructing the tandem mass spectrometer to perform the at least two scans of the sample.
摘要翻译：系统和方法用于使用可变检测扫描分辨率分析样本。指示串联质谱仪使用处理器对具有不同检测扫描分辨率的样品进行至少两次扫描。串联质谱仪包括质量分析仪，允许可变检测扫描分辨率。不同检测扫描分辨率的选择可以基于样品化合物的一种或多种性质。性质可以包括根据预期化合物的分子量分布计算的样品化合物分子量分布，或由一种或多种已知化合物的分子量列表确定。也可以指示串联质谱仪在指示串联质谱仪进行样品的至少两次扫描之前对样品进行分析。

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