ArchLips: A comprehensive in silico database for high-throughput identification of archaeal lipids using high-resolution mass spectrometry

Archaeal membrane lipids are markedly distinct from those in bacteria and eukaryotes, serving as unique biomarkers for unraveling their ecological and biogeochemical roles. Recent advancements in high-resolution mass spectrometry-based lipidomic research have facilitated detailed cellular-level characterizations of lipid compounds. However, the lack of a comprehensive and dedicated database has severely limited large-scale, high-throughput investigations of archaeal lipids. We present ArchLips, a comprehensive database containing 218,868 in silico molecular structures and tandem mass spectra of 199,248 corresponding archaeal lipids. ArchLips enables the automatic and accurate annotation of archaeal lipid compounds characterized by high-resolution mass spectrometry from both pure cultures and environmental samples, serving as a transformative tool for enhancing our understanding of archaeal diversity and their ecological and evolutionary significance within global ecosystems.