公开(公告)号：US20240272121A1

公开(公告)日：2024-08-15

申请号：US18569701

申请日：2022-06-16

Applicant: DH Technologies Development Pte. Ltd.

Inventor： Bradley B. SCHNEIDER ,  Leigh BEDFORD ,  Yves LE BLANC ,  Eva DUCHOSLAV

IPC: G01N27/623 ,  G01N27/624 ,  H01J49/00

CPC classification number: G01N27/623 ,  G01N27/624 ,  H01J49/0031

Abstract: An automated method of operating a mass spectrometer (MS) comprising a differential mobility spectrometer (DMS) includes: introducing a first compound to the DMS; calculating a first alpha function for the first compound; introducing a second compound to the DMS; calculating a second alpha function for the second compound; and determining operation parameters of the DMS to achieve sufficient separation of the first compound and the second compound, based on the first alpha function and the second alpha function.

公开(公告)号：US20240331990A1

公开(公告)日：2024-10-03

申请号：US18293148

申请日：2022-07-28

Applicant: DH Technologies Development Pte. Ltd.

Inventor： Gordana IVOSEV ,  Eva DUCHOSLAV

IPC: H01J49/00 ,  G06V10/52

CPC classification number: H01J49/0036 ,  G06V10/52

Abstract: A method for identifying peaks in a mass spectrum is provided. The method includes: accessing a mass spectrum (300), having an intensity signal, generated for analysis of a sample; performing a wavelet transformation on the intensity signal to generate a wavelet space representation (310) of the intensity signal; generating a scale-space-processing (SSP) response signal (412, 414, 416) from the wavelet space representation of the intensity signal, wherein the SSP response signal (412, 414, 416) represents the SSP response from the wavelet scale representation (310) at different wavelet scales for a particular m/z starting position (312, 314, 316); identifying a first wavelet scale for a first local maximum in the SSP response signal; based on the first wavelet scale, detect a first baseline intensity signal; subtracting the first baseline intensity signal from the intensity signal to generate a first adjusted intensity signal; and detecting one or more peaks in the first adjusted intensity signal.

公开(公告)号：US20240257920A1

公开(公告)日：2024-08-01

申请号：US18565716

申请日：2022-05-27

Applicant: DH Technologies Development Pte. Ltd.

Inventor： Lyle BURTON ,  Carolyn CARKNER ,  Eva DUCHOSLAV

IPC: G16C20/20 ,  G16C20/70 ,  H01J49/00

CPC classification number: G16C20/20 ,  G16C20/70 ,  H01J49/0045

Abstract: In one aspect, a computer implemented method for determining expected cleavage products of a macromolecule includes defining at least one residue of the macromolecule as having a core and at least one linker, where said at least one linker is defined as a sequence of two or more structural units that are coupled to one another via one or more chemical bonds. A digital data processor can be utilized to determine one or more expected bond cleavages, if any, between the structural units of said at least one linker and between adjacent residues when the macromolecule undergoes cleavage, e.g., in response to application of energy thereto, so as to predict expected cleavage products of the macromolecule.

公开(公告)号：US20240377369A1

公开(公告)日：2024-11-14

申请号：US18689600

申请日：2022-09-09

Applicant: DH Technologies Development Pte. Ltd.

Inventor： Eva DUCHOSLAV ,  Pradeep NARAYANASWAMY ,  Stephen TATE

IPC: G01N30/72 ,  B01D15/08 ,  G01N30/02 ,  G01N30/86 ,  H01J49/00

Abstract: Methods and systems for identifying analytes in a sample using mass spectrometry are provided. A method for identifying analytes in mass spectrometry data comprises: introducing a sample to a mass spectrometer; analyzing the sample with the mass spectrometer in a plurality of cycles; generating, for each cycle, a mass spectrum comprising at least one peak; annotating peaks in the mass spectrum based on their relationships; assigning best ion types to each peak; processing each cycle of the mass spectrum to assign a score to each of the at least one peak thereof with respect to the likely neutral mass related to the peak; grouping peaks that share a common neutral mass; and outputting the analyte neutral mass.

公开(公告)号：US20240371474A1

公开(公告)日：2024-11-07

申请号：US18689522

申请日：2022-09-08

Applicant: DH Technologies Development Pte. Ltd.

Inventor： Eva DUCHOSLAV ,  Pradeep NARAYANASWAMY ,  Stephen TATE

IPC: G16B40/10 ,  G16B40/20 ,  H01J49/00

Abstract: Methods and systems for building and using an analyte library are provided. One aspect is a method for building an analyte library, the method comprising receiving mass spectrum data from analysis of a sample using mass spectrometry, mass spectrum data including a mass spectrum and a sample matrix, and the sample including an analyte, identifying peaks in the mass spectrum, assigning at least one ion type to the peaks, annotating the peaks for the analyte based on the sample matrix, extracting an ion fingerprint for the analyte based on the annotated peaks and storing an analyte identification entry including the ion fingerprint for the analyte.

公开(公告)号：US20240412962A1

公开(公告)日：2024-12-12

申请号：US18689495

申请日：2022-09-09

Applicant: DH Technologies Development Pte. Ltd.

Inventor： Eva DUCHOSLAV ,  Yves LE BLANC

IPC: H01J49/00

Abstract: Methods and systems for adjusting instrument setting, improving fidelity of isotope pattern for mass spectra, and/or determining molecular mass with improved accuracy are disclosed. In one example, a method for determining Mmono of a compound of interest in a sample using a mass spectrometer is provided. The method comprises: (1) tuning or adjusting instrument setting of the mass spectrometer using at least one known compound, wherein the instrument setting comprises at least one parameter for improving accuracy; (2) analyzing the compound of interest using the adjusted instrument setting to obtain a mass spectrum thereof, wherein the mass spectrum comprises an isotope pattern thereof; and determining the Mmono of the compound of interest from the mass spectrum thereof.

公开(公告)号：US20240347141A1

公开(公告)日：2024-10-17

申请号：US18689543

申请日：2022-09-08

Applicant: DH Technologies Development Pte. Ltd.

Inventor： Eva DUCHOSLAV ,  Pradeep NARAYANASWAMY ,  Stephen TATE

IPC: G16C20/20 ,  G16C20/70 ,  H01J49/00

CPC classification number: G16C20/20 ,  G16C20/70 ,  H01J49/0036

Abstract: Methods and systems for identifying one or more analytes in a sample are provided. One aspect is a method of predicting an identity of analytes in an unknown sample, the method comprising accessing a database comprising a plurality of results from analyzing samples using mass spectrometry to identify analytes, the plurality of results including annotated ion fingerprints, training a machine learning model with the plurality of results, and applying the machine learning model to the unknown sample to predict an identity of one or more analytes in the unknown sample.

公开(公告)号：US20240255467A1

公开(公告)日：2024-08-01

申请号：US18561031

申请日：2022-05-18

Applicant: DH Technologies Development Pte. Ltd.

Inventor： Leigh BEDFORD ,  Bradley B. SCHNEIDER ,  Eva DUCHOSLAV ,  Stephen TATE

IPC: G01N27/623 ,  G01N27/624 ,  H01J49/16

CPC classification number: G01N27/623 ,  G01N27/624 ,  H01J49/165

Abstract: A method of operating a system including a differential mobility spectrometer (DMS) and a mass spectrometer. A sample is introduced to the DMS. The sample is analyzed with the DMS. Data is generated based at least in part on an analyte ion generated from the sample and at least one transport gas composition. Library data of the analyte ion is accessed from a library. The generated data is compared to the library data. A signal is sent when the generated data deviates from the library data by more than a predetermined threshold.