公开(公告)号：US20150303045A1

公开(公告)日：2015-10-22

申请号：US14443935

申请日：2013-11-21

Applicant: DH TECHNOLOGIES DEVELOPMENT PTE. LTD.

Inventor： David Michael Cox

IPC: H01J49/00

CPC classification number: H01J49/0045 ,  H01J49/0031 ,  H01J49/0036

Abstract: Systems and methods are provided for compound identification using multiple spectra that are a function of a variable instrument parameter that affects the intensity of fragment ions. A plurality of acquired fragment ion spectra that are a function of a variable instrument parameter for at least one ion are received from a mass spectrometer using a processor. The at least one ion is identified by comparing rates of change of mass intensity, with respect to the variable instrument parameter, for acquired and known fragment ions using the processor. Specifically, one or more acquired rates of change calculated for acquired fragment ions from the plurality of acquired fragment ion spectra are compared with one or more known rates of change calculated for one or more stored fragment ions of one or more known compounds in a database of known compounds.

Abstract translation: 提供了使用作为影响碎片离子强度的可变仪器参数的函数的多个光谱的化合物鉴定的系统和方法。 使用处理器从质谱仪接收作为至少一个离子的可变仪器参数的函数的多个获取的片段离子谱。 通过使用处理器比较采集和已知碎片离子的质量强度变化率与可变仪器参数的比率来鉴定至少一种离子。 具体地，将从多个获取的片段离子谱中获得的碎片离子计算的一个或多个获得变化的变化率与对一个或多个已知化合物的一个或多个已知化合物的一个或多个存储的片段离子计算的一个或多个已知变化率进行比较， 已知化合物。

公开(公告)号：US20250157589A1

公开(公告)日：2025-05-15

申请号：US18835672

申请日：2023-02-02

Applicant: DH TECHNOLOGIES DEVELOPMENT PTE. LTD.

Inventor： David Michael Cox ,  Gordana Ivosev

IPC: G16C20/20 ,  H01J49/00

Abstract: A measured mass spectrum and intensity data provided as a function of m/z and at least one additional dimension are received. Peaks of the measured spectrum are compared to peaks of each of a plurality of library mass spectra. A set of library mass spectra is identified using a fit score. For each spectrum of the set, a group of related peaks of the measured spectrum calculated using a deconvolution algorithm is recalculated. The recalculation lowers a threshold for selection in the group if a matching peak of the library spectrum contributed to the fit score. A group of related peaks of the measured spectrum is produced for each library spectrum. For each spectrum of the set, peaks of the group are compared to peaks of the library spectrum and a purity score is calculated. At least one library spectrum of the set with the highest purity score is identified.

公开(公告)号：US20250125133A1

公开(公告)日：2025-04-17

申请号：US18420683

申请日：2022-07-05

Applicant: DH Technologies Development Pte. Ltd.

Inventor： David Michael Cox ,  Lyle Lorrence Burton

IPC: H01J49/00 ,  G01N30/86

Abstract: An analytical instrument produces intensity versus time measurements or intensity versus m/z measurements for each acquisition of n acquisitions using m instrument parameter values for each acquisition of n acquisitions, wherein n is a number greater than or equal to two and m is a number equal to or greater than one. For each acquisition of the n acquisitions, the instrument stores a data file that includes m one or more instrument parameter values applied to the instrument, producing n data files. A first data file of the n data files for a first acquisition is retrieved. A next data file of the n data files of a next acquisition is retrieved. The m corresponding parameter values of the first data file and the next data file are compared. If any corresponding parameter values differ between the first data file and the next data file, a notification of an instrument parameter difference corresponding to a name of the next data file is displayed.

公开(公告)号：US11791150B2

公开(公告)日：2023-10-17

申请号：US17310959

申请日：2020-04-15

Applicant: DH TECHNOLOGIES DEVELOPMENT PTE. LTD.

Inventor： David Michael Cox ,  Nic G. Bloomfield

IPC: H01J49/40 ,  H01J49/00 ,  H01J49/02

CPC classification number: H01J49/40 ,  H01J49/0036 ,  H01J49/025

Abstract: The resolution of a TOF mass analyzer is maintained despite a loss of resolution in one or more channels of a multichannel ion detection system by selecting the highest resolution channels for qualitative analysis. Ion packets that impact a multichannel detector are converted into multiplied electrons and emitted from two or more segmented electrodes that correspond to impacts in different regions across a length of the detector. The electrons received by each electrode of the two or more segmented electrodes for each ion packet are converted into digital values in a channel of a multichannel digitizer, producing digital values for at least two or more channels. Qualitative information about the ion packets is calculated using digital values of a predetermined subset of one or more channels of the at least two or more channels known to provide the highest resolution.

公开(公告)号：US20200090918A1

公开(公告)日：2020-03-19

申请号：US15750557

申请日：2016-08-09

Applicant: DH Technologies Development Pte. Ltd.

Inventor： Lyle Lorrence Burton ,  David Michael Cox

IPC: H01J49/00

Abstract: One or more known compounds of a sample are ionized using an ion source, producing an ion beam of precursor ions. A tandem mass spectrometer receives the ion beam from the ion source, selects one or more precursor ions from the ion beam using a precursor ion mass selection window, fragments precursor ions within the precursor ion mass selection window, and mass analyzes the resulting product ions, producing an unknown product ion mass spectrum. A library product ion mass spectrum for a known compound is retrieved from a memory. Each peak of the unknown spectrum is analyzed for a potential non-halogen isotopic peak using a processor, and if a potential non-halogen isotopic peak is found, it is removed if it does not have a corresponding peak in the library spectrum.