METHOD AND SYSTEM FOR TIMED INTRODUCTION OF SAMPLE INTO A MASS SPECTROMETER

    公开(公告)号:US20240312774A1

    公开(公告)日:2024-09-19

    申请号:US18268438

    申请日:2021-09-24

    CPC classification number: H01J49/0418 H01J49/0036

    Abstract: Systems and methods are disclosed for timed introduction of samples into a mass spectrometer may include receiving a plurality of sample ion pulses in a mass spectrometer from a sampling interface, where the sample ion pulses are received at a pre-determined time pattern; detecting the received sample ion pulses to generate a signal; isolating an analyte signal by signal conditioning the generated signal based on the pre-determined time pattern; and identifying a presence of an analyte based on the isolated analyte signal. The signal conditioning may include pulse-based averaging based on the pre-determined time pattern or may include converting the generated signal to a frequency-domain signal and calculating a modulus to isolate the analyte signal. The pre-determined time pattern may be periodic where the signal conditioning comprises performing a Fourier Transform on the signal to convert it to a frequency-domain signal.

    Deconvolution of Mixed Spectra
    2.
    发明申请

    公开(公告)号:US20180240658A1

    公开(公告)日:2018-08-23

    申请号:US15750550

    申请日:2016-08-09

    Abstract: 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.

    Probability-Based Library Search Algorithm (ProLS)

    公开(公告)号:US20180166264A1

    公开(公告)日:2018-06-14

    申请号:US15576875

    申请日:2016-05-26

    CPC classification number: H01J49/0036 G06F19/709 H01J49/0072

    Abstract: 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.

    High dynamic range detector correction algorithm

    公开(公告)号:US09991104B2

    公开(公告)日:2018-06-05

    申请号:US14401030

    申请日:2013-04-19

    Abstract: 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.

    METHOD FOR REAL TIME ENCODING OF SCANNING SWATH DATA AND PROBABILISTIC FRAMEWORK FOR PRECURSOR INFERENCE

    公开(公告)号:US20240331991A1

    公开(公告)日:2024-10-03

    申请号:US18739836

    申请日:2024-06-11

    CPC classification number: H01J49/0036 G06F17/16 G06F17/17 H01J49/0045

    Abstract: 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.

    Systems and methods for extending the dynamic range of mass spectrometry
    7.
    发明授权
    Systems and methods for extending the dynamic range of mass spectrometry 有权
    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

    Inventor: Gordana Ivosev

    CPC classification number: H01J49/0036 H01J49/4265

    Abstract: 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.

    Abstract translation: 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。

    Method for real time encoding of scanning SWATH data and probabilistic framework for precursor inference

    公开(公告)号:US12080533B2

    公开(公告)日:2024-09-03

    申请号:US17593142

    申请日:2020-05-29

    CPC classification number: H01J49/0036 G06F17/16 G06F17/17 H01J49/0045

    Abstract: 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.

    Automated expected retention time and optimal expected retention time window detection

    公开(公告)号:US11474087B2

    公开(公告)日:2022-10-18

    申请号:US16471654

    申请日:2017-12-01

    Inventor: Gordana Ivosev

    Abstract: Systems and methods are disclosed for identifying actual XIC peaks of compounds of interest from samples so that more accurate expected retention times and more accurate expected retention time windows can be calculated. In one system, an actual XIC peak is identified using standard samples. The ratio of the quantity of the compound of interest in any two different samples is known, so this ratios is compared to the intensities of the XIC peak calculated in the two samples to identify an actual XIC peak. In another system, an actual XIC peak is identified using information about other compounds of interest in a plurality of samples. It is known that the XIC peaks of compounds of interest in the same samples have a similar distribution of retention times across those samples, so the distributions of retention times of XIC peaks are compared to identify actual XIC peaks.

    Automated Expected Retention Time and Optimal Expected Retention Time Window Detection

    公开(公告)号:US20200096489A1

    公开(公告)日:2020-03-26

    申请号:US16471654

    申请日:2017-12-01

    Inventor: Gordana Ivosev

    Abstract: Systems and methods are disclosed for identifying actual XIC peaks of compounds of interest from samples so that more accurate expected retention times and more accurate expected retention time windows can be calculated. In one system, an actual XIC peak is identified using standard samples. The ratio of the quantity of the compound of interest in any two different samples is known, so this ratios is compared to the intensities of the XIC peak calculated in the two samples to identify an actual XIC peak. In another system, an actual XIC peak is identified using information about other compounds of interest in a plurality of samples. It is known that the XIC peaks of compounds of interest in the same samples have a similar distribution of retention times across those samples, so the distributions of retention times of XIC peaks are compared to identify actual XIC peaks.

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