Analysis of extractables in rubber with pseudotargeted metabolomics method
Objective:To perform a comprehensive analysis of extractables in rubber by pseudotargeted metabolo-mics.Methods:The quality control(QC)solutions and test solutions were prepared by extracting the six kinds of rubbers with water,pH 2.6 phosphate buffer,pH 9.18 phosphate buffer,and 15％ethanol solution,respective-ly.The QC solutions were detected by LC-30A ultra performance liquid chromatography-Q TOF-9030 mass spectrometer in ESI+/ESI-mode.The mobile phases were 0.1％formic acid-water and 0.1％formic acid-acetonitrile/0.05％ammonium-water and 0.05％ammonium-5％water-methanol.The separation chromato-graphic column was Waters Acquity BEH C8/HSS T3.TOF MS and MS/MS DDA scanning modes were used to detect the QC solutions.The scan results of QC solution were processed with MSConvert and MRM-Ion_Pair_Finder software to obtain MRM parameters.The extracts were detected by ExionLC UPLC-Qtrap6500+mass spectrometer in ESI+/ESI-mode with the same mobile phase and column as before,and Scheduled-MRM scan mode was applied to detect the extracts.Results:The 1 399 unknown compounds and 116 known compounds were analyzed.By extraction solution,it was found that pH 9.18 phosphate buffer and 15％ethanol solution could extract more compounds,and 27 compounds with large differences in different extraction solutions were identified.By rubbers,the affinities of different rubbers were determined by 25 differences.Conclusion:In this study,the results of the extraction of six rubbers under four extracts are analyzed.There are differences between extracts un-der different extraction conditions.Analytical methods can be specifically developed for these key variables for quality control follow-up studies to ensure the stability and consistency of drug quality.The variables in different rubbers are also analyzed,which can be used to make a general class determination of unknown rubber samples.
rubberpseudotargeted metabolomicsextractableliquid chromatography-tandem mass spectrome-trykey differential substancesquality controlclass determination
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