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1. 发明申请

US20180240658A1 Deconvolution of Mixed Spectra 审中-公开
公开(公告)号：US20180240658A1
公开(公告)日：2018-08-23
申请号：US15750550
申请日：2016-08-09
申请人： DH Technologies Development Pte. Ltd.
发明人： David Michael Cox , Gordana Ivosev
IPC分类号： H01J49/00 , H01J49/04 , H01J49/26
CPC分类号： H01J49/0031 , H01J49/0027 , H01J49/004 , H01J49/0045 , H01J49/04 , H01J49/26
摘要： An m/z range of an ion beam is divided into two or more precursor ion mass selection windows. A pattern of two or more different window m/z ranges to be used during two or more successive cycles for at least one precursor ion mass selection window is determined. The pattern includes an initial window m/z range and one or more successively different window m/z ranges. Each of the one or more successively different window m/z ranges includes at least a portion of the initial window m/z range. A tandem mass spectrometer is instructed to select and fragment the two or more precursor ion mass selection windows during each cycle of a plurality of cycles and to repeatedly use the pattern for each group of two or more successive cycles of the plurality of cycles for the selection and fragmentation of the at least one precursor ion mass selection window.

2. 发明申请

US20180166264A1 Probability-Based Library Search Algorithm (ProLS) 审中-公开
公开(公告)号：US20180166264A1
公开(公告)日：2018-06-14
申请号：US15576875
申请日：2016-05-26
申请人： DH Technologies Development Pte. Ltd.
发明人： Lyle Lorrence Burton , Gordana Ivosev
IPC分类号： H01J49/00 , G06F19/00
CPC分类号： H01J49/0036 , G06F19/709 , H01J49/0072
摘要： One or more known compounds of a sample are ionized. At least one precursor ion corresponding to a compound of the one or more known compounds is selected and fragmented, producing a product ion mass spectrum for the precursor ion. An m/z tolerance probability function that varies from 1 to 0 with increasing values of an m/z difference between two mass peaks and that includes one or more values between 1 and 0 is received. A library product ion mass spectrum for the at least one compound is retrieved from a memory. An m/z difference between at least one experimental product ion mass peak in the product ion mass spectrum and at least one library product ion mass peak in the library product ion mass spectrum is calculated. An m/z tolerance probability that determines if the two peaks are corresponding peaks is calculated from the m/z difference using the probability function.

3. 发明授权

US09991104B2 High dynamic range detector correction algorithm 有权
公开(公告)号：US09991104B2
公开(公告)日：2018-06-05
申请号：US14401030
申请日：2013-04-19
申请人： DH TECHNOLOGIES DEVELOPMENT PTE. LTD.
发明人： Bruce Andrew Collings , Martian Dima , Gordana Ivosev
IPC分类号： H01J49/00 , H01J49/02 , G01T1/17
CPC分类号： H01J49/0027 , G01T1/171 , H01J49/0009 , H01J49/0036 , H01J49/025
摘要： Systems and methods are provided to perform dead time correction. An observed ion count rate is obtained using a non-paralyzable detection system of a mass spectrometer. The detection system includes an ion detector, a comparator/discriminator, a mono-stable circuit and a counter. The non-paralyzable detection system exhibits dead time extension at high count rates. The extension of the dead time occurs because the mono-stable circuit requires a rising edge to trigger and can only be triggered again after the output pulse from the comparator/discriminator has gone low. This allows a second comparator/discriminator pulse arriving just before the end of the dead time started by a first comparator/discriminator pulse to extend the dead time to the trailing edge of the second comparator/discriminator pulse. A true ion count rate is calculated by performing dead time correction of the observed ion count rate.

4. 发明授权

US08560248B2 Systems and methods for extending the dynamic range of mass spectrometry 有权
标题翻译：扩展质谱动态范围的系统和方法
公开(公告)号：US08560248B2
公开(公告)日：2013-10-15
申请号：US13737236
申请日：2013-01-09
申请人： DH Technologies Development PTE. LTD.
发明人： Gordana Ivosev
IPC分类号： G01N31/00
CPC分类号： H01J49/0036 , H01J49/4265
摘要： Systems and methods are used to predict intensities for points not measured or not measured with a high degree of confidence of a peak using a peak predictor. A set of data is selected from the plurality of intensity measurements that includes a peak. Confidence values are assigned to each data point in the set of data producing a plurality of confidence value weighted data points. A peak predictor is selected. The peak predictor is applied to the plurality of confidence value weighted data points of the peak that have confidence values greater than a first threshold level using the prediction module, producing predicted intensities for data points of the peak not measured and/or measured data points of the peak that have confidence values less than or equal to a second threshold level. The confidence values can include system confidence values, predictor confidence values, or any combination of the two.
摘要翻译：系统和方法用于使用峰值预测器以峰值的高置信度来预测未测量或未测量的点的强度。从包括峰值的多个强度测量值中选择一组数据。将置信度值分配给产生多个置信度值加权数据点的数据集合中的每个数据点。选择峰值预测器。使用预测模块将峰值预测器应用于具有大于第一阈值水平的置信度值的峰值的多个置信值加权数据点，产生未测量的峰值和/或测量数据点的数据点的预测强度具有小于或等于第二阈值水平的置信度值的峰值。置信度值可以包括系统置信度值，预测器置信度值或两者的任何组合。

5. 发明申请

US20220189754A1 Method for Real Time Encoding of Scanning SWATH Data and Probabilistic Framework for Precursor Inference 有权
公开(公告)号：US20220189754A1
公开(公告)日：2022-06-16
申请号：US17593142
申请日：2020-05-29
申请人： DH TECHNOLOGIES DEVELOPMENT PTE. LTD.
发明人： Nic G. Bloomfield , Gordana Ivosev
IPC分类号： H01J49/00 , G06F17/16 , G06F17/17
摘要： A precursor ion transmission window is moved in overlapping steps across a precursor ion mass range. The precursor ions transmitted at each overlapping step by the mass filter are fragmented or transmitted. Intensities or counts are detected for each of the one or more resulting product ions or precursor ions for each overlapping window that form mass spectrum data for each overlapping window. Each unique product ion detected is encoded in real-time during data acquisition. This encoding includes sums of counts or intensities of each unique ion detected the overlapping windows and positions of the windows associated with each sum. The encoding for each unique ion is stored in a memory device rather than the mass spectral data. A deblurring algorithm or numerical method is used to determine a precursor ion of each unique ion from the encoded data.

6. 发明授权

US11031219B2 Swath® to extend dynamic range 有权
公开(公告)号：US11031219B2
公开(公告)日：2021-06-08
申请号：US16310047
申请日：2017-06-09
申请人： DH TECHNOLOGIES DEVELOPMENT PTE. LTD. , University of Geneva
发明人： Ronald Francis Bonner , Lyle Lorrence Burton , Gérard Hopfgartner , Gordana Ivosev
IPC分类号： H01J49/00 , G01N30/72
摘要： Systems and methods are disclosed for determining if the dynamic range of quantitation in mass spectrometry can be extended. A DIA method is performed on a sample for a compound of interest at each acquisition time of a plurality of acquisition times. A plurality of product ion spectra are produced for each window of two or more precursor ion mass selection windows. A known product ion of the compound of interest is selected. Two or more XICs are calculated from two or more different precursor ion windows for the known product ion. A ratio of one XIC of the two or more XICs to at least one other XIC of the two or more XICs is calculated. If the ratio is above a threshold, the XIC is used in the quantitation. If not, two or more XICs can be combined into a single XIC that is used for the quantitation.

7. 发明申请

US20200312644A1 SWATH to Extend Dynamic Range 审中-公开
公开(公告)号：US20200312644A1
公开(公告)日：2020-10-01
申请号：US16310047
申请日：2017-06-09
申请人： DH TECHNOLOGIES DEVELOPMENT PTE. LTD. , University of Geneva
发明人： Ronald Francis Bonner , Lyle Lorrence Burton , Gérard Hopfgartner , Gordana Ivosev
IPC分类号： H01J49/00 , G01N30/72
摘要： Systems and methods are disclosed for determining if the dynamic range of quantitation in mass spectrometry can be extended. A DIA method is performed on a sample for a compound of interest at each acquisition time of a plurality of acquisition times. A plurality of product ion spectra are produced for each window of two or more precursor ion mass selection windows. A known product ion of the compound of interest is selected. Two or more XICs are calculated from two or more different precursor ion windows for the known product ion. A ratio of one XIC of the two or more XICs to at least one other XIC of the two or more XICs is calculated. If the ratio is above a threshold, the XIC is used in the quantitation. If not, two or more XICs can be combined into a single XIC that is used for the quantitation.

8. 发明申请

US20190228957A1 Systems and Methods for Identifying Precursor and Product Ion Pairs in Scanning SWATH Data 审中-公开
公开(公告)号：US20190228957A1
公开(公告)日：2019-07-25
申请号：US16320111
申请日：2017-07-19
申请人： DH TECHNOLOGIES DEVELOPMENT PTE. LTD.
发明人： Gordana Ivosev , Nic G. Bloomfield , Michael Murphy , Stephen A. Tate
IPC分类号： H01J49/00 , G06F17/16
摘要： A system is disclosed for identifying a precursor ion of a product ion in a scanning DIA experiment. A precursor ion mass selection window is scanned across a precursor ion mass range of interest, producing a series of overlapping windows across the precursor ion mass range. Each overlapping window is fragmented and mass analyzed, producing a plurality of product ion spectra for the mass range. A product ion is selected from the spectra. Intensities for the selected product ion are retrieved for at least one scan across the mass range producing a trace of intensities versus precursor ion m/z. A matrix multiplication equation is created that describes how one or more precursor ions correspond to the trace for the selected product ion. The matrix multiplication equation is solved for one or more precursor ions corresponding to the selected product ion using a numerical method.

9. 发明授权

US10732156B2 Multi-trace quantitation 有权
公开(公告)号：US10732156B2
公开(公告)日：2020-08-04
申请号：US15303690
申请日：2015-04-14
申请人： DH Technologies Development Pte. Ltd.
发明人： Gordana Ivosev
IPC分类号： G01N30/86 , G01N30/96 , H01J49/00 , G01N30/72
摘要： Systems and methods are provided for calculating the area of a peak profile using information from one or more correlated peak profiles. One or more compounds are separated from a mixture over time using a separation device. Traces of the one or more compounds are monitored during the separation using a tandem mass spectrometer. A plurality of intensity measurements are received using a processor. A first peak profile for a compound of interest is detected from the plurality of intensity measurements for a first trace and one or more correlated peak profiles for the compound of interest are detected from the plurality of intensity measurements for one or more other traces using the processor. An area of the first peak profile is calculated based on the one or more correlated peak profiles using the processor.

10. 发明授权

US10651019B2 Systems and methods for identifying precursor and product ion pairs in scanning SWATH data 有权
公开(公告)号：US10651019B2
公开(公告)日：2020-05-12
申请号：US16320111
申请日：2017-07-19
申请人： DH TECHNOLOGIES DEVELOPMENT PTE. LTD.
发明人： Gordana Ivosev , Nic G. Bloomfield , Michael Murphy , Stephen A. Tate
IPC分类号： H01J49/00 , G06F17/16
摘要： A system is disclosed for identifying a precursor ion of a product ion in a scanning DIA experiment. A precursor ion mass selection window is scanned across a precursor ion mass range of interest, producing a series of overlapping windows across the precursor ion mass range. Each overlapping window is fragmented and mass analyzed, producing a plurality of product ion spectra for the mass range. A product ion is selected from the spectra. Intensities for the selected product ion are retrieved for at least one scan across the mass range producing a trace of intensities versus precursor ion m/z. A matrix multiplication equation is created that describes how one or more precursor ions correspond to the trace for the selected product ion. The matrix multiplication equation is solved for one or more precursor ions corresponding to the selected product ion using a numerical method.

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