The invention discloses a standard compound
library MetaTag
database and application thereof.43120 compounds are recorded in the MetaTag
database, the compounds have Xm-Yn type chemical structural characteristics, X represents an electrophilic
substituent, Y represents a nucleophilic
substituent, m and n represent the number of X and the number of Y respectively, the character '-' represents that X and Y form a
covalent bond, and X and Y are both from endogenous metabolites; each compound is composed of a virtual part and an entity part; in the virtual part, each compound corresponds to a unique entry, and each entry comprises but is not limited to sub-entries such as a chemical information class, a
biomedical information class, a related literature or an
external database link; in the entity part, each compound can find a
molecular entity in a mixed standard series of a MetaTag
database, and the
molecular entity is used for collecting LC-MS data to confirm the
metabolite structure.