Identification of Unknown Toxicants in Food Poisoning by High Resolution Mass Spectrometry-Data Independent Acquisition-Post Targeted Screening Strategy / 分析化学

ABSTRACT

Based on ultra-high-performance liquid chromatography-quadrupole/time of flight mass spectrometry (UPLC-Q-TOF MS/MS),a post targeted screening strategy using high resolution mass spectrometry under data independent acquisition was established,and successfully applied to screen and identify unknown toxicants in food poisoning patients' vomit and feces.After solvent extraction,the samples were separated and analyzed on a reversed-phase C18column using a gradient elution program of 5 mmol/L ammonium formate and 0.1% formic acid aqueous solution(A) and 0.1% formic acid in acetonitrile solution (B).All-ions MS/MS information of samples was obtained using Q-TOF MS(ESI+) in MSE mode,followed by peak recognition and library searching using the UNIFI Scientific Information System,as a result,suspected toxic compound α-solanine was primarily detected.Furthermore,the related chemicals including hydrolysates and metabolites were identified in both samples based on post-targeted screening strategy,such as α-chaconine,β-chaconine,γ-solanine/chaconine and solanidine.The concentration of α-solanine in both samples was approximately 0.1 mg/kg by one-point calibration method,the total amount of solanine analogues in two samples was about 0.5 mg/kg and 0.6 mg/kg respectively through normalization of peak area.The high resolution mass spectrometry screening strategy established here could provide efficient screening method for rapid detection and identification of toxicants in unknown food poisoning.