Method for identifying androgen active substances in environmental sample based on characteristic liquid fragment matching

Abstract

The invention provides a method for identifying androgen active substances in an environmental sample based on characteristic liquid fragment matching. The method comprises the following steps of selecting an activity warning structure related to androgen activity, classifying the 'activity warning structure', and establishing a correlation between the 'activity warning structure' and the mass spectrum characteristic fragment structure, extracting characteristic fragments capable of representing activity, and verifying the characteristic fragments through a standard substance and a mass spectrogram database, constructing an androgen active substance screening method based on characteristic fragments and applying the androgen active substance screening method. Compared with a traditional method, the method is higher in flux, the covered compound range is wider, more categories are achieved, a direct relation between toxicity characteristics and mass spectrum fragments is established, high-throughput screening of a large number of unknown compounds can be conducted, determining of the complete structure of the compounds is not needed, possible androgen active substances can be rapidly screened out according to matching of secondary fragments, the non-target screening efficiency is greatly improved, and then a new technical scheme is provided for recognition of key toxic substances in the environment.

Description

Technical field: [0001] The invention belongs to the technical field of environmental detection, and in particular relates to a method for identifying androgen active substances in environmental samples based on characteristic fluid fragment matching. Background technique: [0002] In recent years, the number of chemicals synthesized and used has increased dramatically, and they have entered the environment through various channels, resulting in endocrine disrupting effects that have been detected in various environmental media around the world. Therefore, it is urgent to identify the causes of endocrine disrupting effects main toxins. Among the endocrine disrupting effects, compared with the estrogen effect, there are relatively few studies on the androgenic effect, and the mode of action of the androgenic active substance is also more complicated, which may have mimicry and may produce resistance, and may also have mimic sex and resistance. Existing studies have confirme...

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Problems solved by technology

[0007] The purpose of the present invention is to solve the problems of low success rate in identifying toxic substances for a given compound list in the identification process of androgen active substances, low efficiency of non-target poison identification, and time-consuming and labor-intensive problems. The identification method of androgen active substances in environmental samples, aiming at the non-target substance peaks measured by liquid mass scan of environmental samples, establishes a high-throughput and Non-target toxicant screening method directly related to specific effects, realizing rapid screening of non-target androgenic active substances in environmental samples based on mass spectrometry fragmentation characteristics

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