Multi-dimensional annotation space metabolome database establishment method

• Main Authors: YANG TINGTING, CHEN MIN, GE SHUTING, HU ZHE, LAI JUN, FU YANLEI, SHU LIEBO
• Format: Patent
• Language: Chinese; English
• Published: 18.10.2022
• Subjects: CALCULATING; COMPUTING; COUNTING; ELECTRIC DIGITAL DATA PROCESSING; INVESTIGATING OR ANALYSING MATERIALS BY DETERMINING THEIRCHEMICAL OR PHYSICAL PROPERTIES; MEASURING; PHYSICS; TESTING

The invention provides a multi-dimensional annotation space metabolome database establishing method. The method comprises the steps that 1, metabolites in a sample matrix and first-dimensional qualitative result data of the metabolites are determined according to first-level mass spectrum imaging data of a tissue sample; 2) according to LC-MS/MS analysis data and GC-MS/MS analysis data of the tissue sample, determining metabolites and second-dimension qualitative result data of the metabolites; 3) determining third-dimension qualitative result data of the same group of metabolites; and 4) establishing a space metabolome database. The invention further provides the spatial metabolome database. According to the multi-dimensional annotation space metabolome database establishment method provided by the invention, the integrity and accuracy of the database can be ensured. 本发明提供一种多维注释的空间代谢组数据库建立方法，包括：1)依据组织样品的一级质谱成像数据确定样品基质中的代谢物及其第一维度定性结果数据；2)依据组织样品的LC-MS/MS分析数据和GC-MS/MS分析数据，确定代谢物及其第二维度定性结果数据；3)确定同组代谢物的第三维度定性结果数据；