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Abstract
We present Mass Spectrometry-Data Independent Analysis software version 4 (MS-DIAL 4), a comprehensive lipidome atlas with retention time, collision cross-section and tandem mass spectrometry information. We formulated mass spectral fragmentations of lipids across 117 lipid subclasses and included ion mobility tandem mass spectrometry. Using human, murine, algal and plant biological samples, we annotated and semiquantified 8,051 lipids using MS-DIAL 4 with a 1–2% estimated false discovery rate. MS-DIAL 4 helps standardize lipidomics data and discover lipid pathways.
Mass spectral fragmentations of lipids across 117 lipid subclasses are presented in a lipidome atlas.
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1 RIKEN Center for Integrative Medical Sciences, Yokohama, Japan; RIKEN Center for Sustainable Resource Science, Yokohama, Japan (GRID:grid.7597.c) (ISNI:0000000094465255)
2 RIKEN Center for Integrative Medical Sciences, Yokohama, Japan (GRID:grid.7597.c); Kazusa DNA Research Institute, Department of Applied Genomics, Chiba, Japan (GRID:grid.410858.0) (ISNI:0000 0000 9824 2470)
3 RIKEN Center for Sustainable Resource Science, Yokohama, Japan (GRID:grid.7597.c) (ISNI:0000000094465255)
4 Bruker, Yokohama, Japan (GRID:grid.7597.c)
5 RIKEN Center for Integrative Medical Sciences, Yokohama, Japan (GRID:grid.7597.c); Keio University, Graduate School of Pharmaceutical Sciences, Tokyo, Japan (GRID:grid.26091.3c) (ISNI:0000 0004 1936 9959)
6 RIKEN Center for Integrative Medical Sciences, Yokohama, Japan (GRID:grid.26091.3c); Osaka University, Graduate School of Information Science and Technology, Osaka, Japan (GRID:grid.136593.b) (ISNI:0000 0004 0373 3971)
7 The Graduate University for Advanced Studies, SOKENDAI, Department of Genetics, Miura, Japan (GRID:grid.275033.0) (ISNI:0000 0004 1763 208X)
8 NGAlab, Tarragona, Spain (GRID:grid.275033.0)
9 RIKEN Center for Sustainable Resource Science, Yokohama, Japan (GRID:grid.7597.c) (ISNI:0000000094465255); Mie University, Graduate School of Bioresources, Tsu, Japan (GRID:grid.260026.0) (ISNI:0000 0004 0372 555X)
10 Interdisciplinary Research Center on Biology and Chemistry, Shanghai Institute of Organic Chemistry, Chinese Academy of Sciences, Shanghai, China (GRID:grid.422150.0) (ISNI:0000 0001 1015 4378); University of Chinese Academy of Sciences, Beijing, China (GRID:grid.410726.6) (ISNI:0000 0004 1797 8419)
11 Interdisciplinary Research Center on Biology and Chemistry, Shanghai Institute of Organic Chemistry, Chinese Academy of Sciences, Shanghai, China (GRID:grid.422150.0) (ISNI:0000 0001 1015 4378)
12 University of Florida, Department of Pathology, Gainsville, USA (GRID:grid.15276.37) (ISNI:0000 0004 1936 8091); Yale School of Public Health, Department of Environmental Health Sciences, New Haven, USA (GRID:grid.47100.32) (ISNI:0000000419368710)
13 Institute of Physiology of the Czech Academy of Sciences, Prague, Czech Republic (GRID:grid.418925.3) (ISNI:0000 0004 0633 9419)
14 West Coast Metabolomics Center, UC Davis, Davis, USA (GRID:grid.27860.3b) (ISNI:0000 0004 1936 9684)
15 RIKEN Center for Sustainable Resource Science, Yokohama, Japan (GRID:grid.7597.c) (ISNI:0000000094465255); Chiba University, Graduate School of Pharmaceutical Sciences, Chiba, Japan (GRID:grid.136304.3) (ISNI:0000 0004 0370 1101)
16 RIKEN Center for Sustainable Resource Science, Yokohama, Japan (GRID:grid.7597.c) (ISNI:0000000094465255); National Institute of Genetics, Mishima, Japan (GRID:grid.288127.6) (ISNI:0000 0004 0466 9350)
17 RIKEN Center for Integrative Medical Sciences, Yokohama, Japan (GRID:grid.288127.6); Keio University, Graduate School of Pharmaceutical Sciences, Tokyo, Japan (GRID:grid.26091.3c) (ISNI:0000 0004 1936 9959); Yokohama City University, Graduate School of Medical Life Science, Yokohama, Japan (GRID:grid.268441.d) (ISNI:0000 0001 1033 6139)