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：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.