Comprehensive metabolomics of wine using LC-QTOFMS and LC-TQMS; Novel workflow to transfer analytical method from LC-QTOFMS to LC-TQMS

Novel workflow to transfer analytical method from LC-QTOFMS to LC-TQMS was developed for comprehensive metabolomics. Recently, increasing attention has been devoted to metabolomics using MS in the medical and food industry. In general, metabolomics is performed by high-resolution mass spectrometer such as quadrupole time-of-flight (QTOF)MS. Although QTOFMS can comprehensively analyze metabolites, the sensitivity, dynamic range, and quantification of QTOFMS are inferior to those of triple quadrupole (TQ)MS. Therefore, it is effective to use both QTOFMS and TQMS for more comprehensive and accurate metabolomics. In this study, we comprehensively analyzed hydrophilic compounds in wines using LC-QTOFMS and LC-TQMS. For easy method transfer from LC-QTOFMS to LC-TQMS, a tool to automatically generate SRM transitions for LC-TQMS from MS/MS data that is acquired by Data Dependent Acquisition (DDA) mode of LCQTOFMS was developed.

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Document Number:
ASMS 2020 - WP 422
Product Type:
Liquid Chromatography Mass Spectrometry
Food, Beverages, LCMS-9030 Q-TOF Mass Spectrometer, LCMS-8060 Triple Quadrupole Liquid Chromatograph Mass Spectrometer (LC-MS/MS)
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