A lipidome atlas in MS-DIAL 4.
Hiroshi TsugawaKazutaka IkedaMikiko TakahashiAya SatohYoshifumi MoriHaruki UchinoNobuyuki OkahashiYutaka YamadaIpputa TadaPaolo BoniniYasuhiro HigashiYozo OkazakiZhiwei ZhouZheng-Jiang ZhuJeremy KoelmelTomáš ČajkaOliver FiehnTakashi HashimotoMasanori AritaMakoto AritaPublished in: Nature biotechnology (2020)
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.
Keyphrases
- mass spectrometry
- liquid chromatography
- tandem mass spectrometry
- gas chromatography
- high performance liquid chromatography
- ultra high performance liquid chromatography
- high resolution mass spectrometry
- simultaneous determination
- high resolution
- ms ms
- solid phase extraction
- fatty acid
- capillary electrophoresis
- multiple sclerosis
- single cell
- electronic health record
- endothelial cells
- big data
- small molecule
- optical coherence tomography
- computed tomography
- high throughput
- deep learning