Achieving Comprehensive Lipid Profiling with a CCS, Retention Time, and MS/MS Library

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Nyasha Munjoma, Sarah Lennon, Jeff Goshawk, Hans Vissers, Giorgis Isaac, Graham Mullard, Steven Lai, Lee A. Gethings, Robert S. Plumb
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A standardized protocol to measure RT and CCS information from a sample set consisting of 100 certified standards from multiple lipid classes to validate a predictive TWCCSN2 Model by Broeckling et al.2 The high correlation established between the experimentally measured and predicted values then allowed for the remainder of the library to be populated with in-silico CCS values is used. Fragment ion information was also appended to the library, accounting for multiple adduct types. Extracts resulting from human plasma and tissues (i.e. heart and liver) were used as additional test samples for identifying endogenous species.

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