MS-DIAL 4: accelerating lipidomics using an MS/MS, CCS, and retention time atlas
Posted 12 Feb 2020
bioRxiv DOI: 10.1101/2020.02.11.944900
Posted 12 Feb 2020
We formulated mass spectral fragmentations of lipids across 117 lipid subclasses and included ion mobility tandem mass spectrometry (MS/MS) to provide a comprehensive lipidome atlas with retention time, collision cross section, and MS/MS information. The all-in-one solution from import of raw MS data to export of a common output format (mztabM) was packaged in MS-DIAL 4 (http://prime.psc.riken.jp/) providing an enhanced standardized untargeted lipidomics procedure following lipidomics standards initiative (LSI) semi-quantitative definitions and shorthand notation system of lipid structures with a 1~2% estimated false discovery rate, which will contribute to harmonizing lipidomics data across laboratories to accelerate lipids research.
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