公开(公告)号：US20220284989A1

公开(公告)日：2022-09-08

申请号：US17597648

申请日：2020-11-10

申请人： Westlake University

发明人： Tiannan Guo ,  Zhongzhi Luan ,  Ziqing Li ,  Fangfei Zhang ,  Shaoyang Yu ,  Zelin Zang

IPC分类号： G16C20/20 ,  G16C20/70 ,  G16C20/80 ,  G01N27/62

摘要： The present invention relates to the technical field of biomolecular omics mass spectrometry data, in particular to an implementation method of a molecular omics data structure based on data independent acquisition mass spectra. The mass spectrometry data structure is DIAT (Data-Independent Acquisition Tensor) data generated from original mass spectrometry data and has attributes of three dimensions, the first dimension is a cycle index, the second dimension is a fragment ion mass-to-charge ratio, and the third dimension is a precursor ion window index corresponding to a fragment ion. The DIAT data of this solution is high in integrity, convenient to read and high in reading speed, and the size of a DIAT file is only a few tenths of that of an mzXML file. DIA mass spectrometry data can be directly observed through a visualized pooled DIAT file image, and a DIAT can be analyzed by directly using a visual processing algorithm, which avoids the operation of extracting ion chromatographic with a large amount of calculation and can directly establish a computer deep learning model for clinical phenotype classification and prediction according to the file.