RAPID ANALYSIS AND IDENTIFICATION OF LIPIDS FROM LIQUID CHROMATOGRAPHY-MASS SPECTROMETRY (LC-MS) DATA

The present invention generally relates to a method for analyzing and identification of the plurality of lipids in a sample that is profiled using a combined Liquid Chromatography-Mass Spectrometry (LC-MS) technique, comprising the steps of:a) providing a list of Liquid Chromatography-Mass Spectrometry (LC-MS)-based mass features;b) deconvoluting said list of LC-MS-based mass features;c) inferring daughter ions from the deconvoluted list of LC-MS-based mass features;d) identifying one or more parental exact masses from the inferred daughter ions;e) scoring each of the one more parental exact masses based on the inferred daughter ions;f) determining characteristic mass features in response to the scoring of each of the one or more parental exact masses; andg) determining each of the plurality of lipids based on the characteristic mass features thereof.In particular, the present invention also relates to identification of the plurality of lipids undergoing in-source fragmentation.