关键词: font-size:medium, ">亚硝胺；基因毒性；遗传毒性；质谱；数据库

Abstract: Objective： To create a comprehensive database for nitrosamine impurities， offering researchers easy access to fundamental information， toxicity predictions， and high-resolution mass spectrometry data pertaining to this class of impurities. Methods： Nitrosamine compounds potentially found in pharmaceuticals were gathered. Utilizing databases like PubChem， we enriched the basic information of these compounds. Derek and Sarah were then employed to predict genotoxicity， while QTOF was used to obtain high-resolution mass spectrometry data. A Java-based website server， following the MTV model， was established to create a data analysis platform， facilitating internet-based data sharing. Results： A user-friendly platform for nitrosamine compounds was successfully developed. This platform presents comprehensive information， genotoxicity predictions， and mass spectrometry data under standard conditions， enabling researchers to quickly grasp compound-related attributes and providing valuable references for subsequent experiments and studies. Conclusion： The established analytical platform for nitrosamine compounds not only enriches data resources in pharmaceutical safety but also offers data support for drug safety and risk control efforts by delivering standardized analysis results.

Key words: font-size:medium, ">Nitrosamines； Genotoxicity； Genetic toxicity； Mass spectrometry； Database