LipidIMMS Analyzer: integrating multi-dimensional information to support lipid identification in ion mobility—mass spectrometry based lipidomics

Abstract

SUMMARY: Ion mobility-mass spectrometry (IM-MS) has showed great application potential for lipidomics. However, IM-MS based lipidomics is significantly restricted by the available software for lipid structural identification. Here, we developed a software tool, namely, LipidIMMS Analyzer, to support the accurate identification of lipids in IM-MS. For the first time, the software incorporates a large-scale database covering over 260 000 lipids and four-dimensional structural information for each lipid [i.e. m/z, retention time (RT), collision cross-section (CCS) and MS/MS spectra]. Therefore, multi-dimensional information can be readily integrated to support lipid identifications, and significantly improve the coverage and confidence of identification. Currently, the software supports different IM-MS instruments and data acquisition approaches. AVAILABILITY AND IMPLEMENTATION: The software is freely available at: http://imms.zhulab.cn/LipidIMMS/. SUPPLEMENTARY INFORMATION: Supplementary data are available at Bioinformatics online.