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    Identification and scoring of related compounds in complex samples
    1.
    发明授权
    Identification and scoring of related compounds in complex samples 有权

    公开(公告)号：US11959898B2

    公开(公告)日：2024-04-16

    申请号：US17259143

    申请日：2019-08-15

    Applicant: DH TECHNOLOGIES DEVELOPMENT PTE. LTD.

    Inventor： Stephen A. Tate

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

    CPC classification number: G01N30/8679 ,  G01N30/72 ,  G01N30/8631 ,  G01N30/8644 ,  H01J49/0031 ,  H01J49/004

    Abstract: A known compound and at least one adduct, modified form, or peptide of the known compound are separated from a sample mixture and analyzed. An XIC is calculated for each of M product ions of the known compound and L product ions of the at least one adduct, modified form, or peptide. A first XIC peak group is calculated from the M XICs and a second XIC peak group is calculated from the L XICs using curve subtraction. Representative first and second XIC peaks are selected for the two XIC peak groups. The retention time of the second XIC peak is shifted by an expected retention time difference found from a database. The retention time of the first XIC peak is verified as the retention time of the known compound if the difference of the retention times of the first and second XIC peaks is within a threshold.

    Method for deconvolution
    4.
    发明授权
    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

    Applicant: DH Technologies Development Pte. Ltd.

    Inventor： Stephen A. Tate ,  John Lawrence Campbell

    IPC: H01J49/00

    Abstract: 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.

    Systems and Methods for Rapidly Screening Samples by Mass Spectrometry
    7.
    发明申请
    Systems and Methods for Rapidly Screening Samples by Mass Spectrometry 有权

    公开(公告)号：US20160079048A1

    公开(公告)日：2016-03-17

    申请号：US14944467

    申请日：2015-11-18

    Applicant: DH Technologies Development Pte. Ltd.

    Inventor： Ronald F. Bonner ,  Stephen A. Tate

    IPC: H01J49/00

    CPC classification number: H01J49/0045 ,  H01J49/0027 ,  H01J49/0031 ,  H01J49/04

    Abstract: Systems and methods are used to rapidly screening samples. A fast sample introduction device that is non-chromatographic is instructed to supply each sample of a plurality samples to a tandem mass spectrometer using a processor. The fast sample introduction device can include a flow injection analysis device, an ion mobility analysis device, or a rapid sample cleanup device. The tandem mass spectrometer is instructed to perform fragmentation scans at two or more mass selection windows across a mass range of each sample of the plurality of samples using the processor. The two or more mass selection windows across the mass range can have fixed or variable window widths. The tandem mass spectrometer can be instructed to obtain a mass spectrum of the mass range before instructing the tandem mass spectrometer to perform the fragmentation scans.

    Systems and methods for using interleaving window widths in tandem mass spectrometry
    8.
    发明授权
    Systems and methods for using interleaving window widths in tandem mass spectrometry 有权
    在串联质谱中使用交织窗口宽度的系统和方法

    公开(公告)号：US09202677B2

    公开(公告)日：2015-12-01

    申请号：US14401032

    申请日：2013-04-19

    Applicant: DH TECHNOLOGIES DEVELOPMENT PTE. LTD.

    Inventor： Stephen A. Tate ,  Ronald F. Bonner

    IPC: H01J49/40 ,  B01D59/44 ,  H01J49/00

    CPC classification number: H01J49/0045 ,  G01N30/7233 ,  G01N30/8631 ,  G06F19/703 ,  H01J49/0009 ,  H01J49/0031 ,  H01J49/0036 ,  H01J49/004

    Abstract: Systems and methods are provided for analyzing a sample using overlapping measured mass selection window widths. A mass range of a sample is divided into two or more target mass selection window widths using a processor. The two or more target widths can have the same width or variable widths. A tandem mass spectrometer is instructed to perform two or more fragmentation scans across the mass range using the processor. Each fragmentation scan of the two or more fragmentation scans includes a measured mass selection window width. The two or more measured widths of the two or more fragmentation scans can have the same width or variable widths. At least two of the two or more measured mass selection window widths overlap. The overlap in measured mass selection window widths corresponds to at least one target mass selection window width.

    Abstract translation: 提供了系统和方法，用于使用重叠的测量质量选择窗口宽度来分析样本。 使用处理器将样本的质量范围分为两个或更多个目标质量选择窗口宽度。 两个或多个目标宽度可以具有相同的宽度或可变宽度。 指示串联质谱仪使用处理器在质量范围内执行两次或更多次碎片扫描。 两个或多个碎片扫描的每个碎片扫描包括测量的质量选择窗口宽度。 两个或更多个碎片扫描的两个或多个测量宽度可以具有相同的宽度或可变宽度。 两个或更多个测量质量选择窗口宽度中的至少两个重叠。 测量的质量选择窗口宽度中的重叠对应于至少一个目标质量选择窗口宽度。

    Systems and Methods for Using Variable Mass Selection Window Widths in Tandem Mass Spectrometry
    9.
    发明申请
    Systems and Methods for Using Variable Mass Selection Window Widths in Tandem Mass Spectrometry 有权
    在串联质谱中使用可变质量选择窗口宽度的系统和方法

    公开(公告)号：US20150129757A1

    公开(公告)日：2015-05-14

    申请号：US14328550

    申请日：2014-07-10

    Applicant: DH Technologies Development PTE. LTD.

    Inventor： Ronald F. Bonner ,  Stephen A. Tate

    IPC: H01J49/00

    CPC classification number: H01J49/0081 ,  H01J49/0027 ,  H01J49/0031 ,  H01J49/004 ,  H01J49/0045

    Abstract: Systems and methods are used to analyze a sample using variable mass selection window widths. A tandem mass spectrometer is instructed to perform at least two fragmentation scans of a sample with different mass selection window widths using a processor. The tandem mass spectrometer includes a mass analyzer that allows variable mass selection window widths. The selection of the different mass selection window widths 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 fragmentation scans of the sample.

    Abstract translation: 系统和方法用于使用可变质量选择窗口宽度来分析样本。 指示串联质谱仪使用处理器对具有不同质量选择窗口宽度的样品进行至少两次碎片扫描。 串联质谱仪包括质量分析器，允许质量选择窗口宽度可变。 不同质量选择窗口宽度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碎片扫描之前对样品进行分析。

    System and method for monitoring a production process
    10.
    发明授权
    System and method for monitoring a production process 有权

    公开(公告)号：US11500352B2

    公开(公告)日：2022-11-15

    申请号：US16865171

    申请日：2020-05-01

    Applicant: DH Technologies Development Pte. Ltd.

    Inventor： Stephen A. Tate

    IPC: G06F9/30 ,  G06F9/44 ,  G06F9/445 ,  G06F9/455 ,  G05B19/406 ,  G06N20/00

    Abstract: A system and method is provided for monitoring a production process. In some aspects, the system may include an aseptic sampling device in fluidic connection with a process fluid, the aseptic sampling device operative to collect one or more samples from the process stream. A pretreatment device may be included to receive and pretreat the one or more samples. An analyzer is operative to analyze the pretreated samples and to produce one or more mass spectrometry (MS) spectra. A classifier receives and classifies the one or more MS spectra to provide a measure of product quality of the process fluid corresponding to the sampling location and time of sampling.

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