Access and download complete releases of LIPID MAPS® structure databases, computationally generated lipidomes, gene/proteome annotations, and mass spectrometry spectral libraries.
Exports of structures and annotations from active curated LMSD records. Includes common names, systematic names, formula, exact mass, SMILES, InChI, and cross-references.
Extended active LMSD records including additional fields, alternative classifications, Cayman IDs, and full cross-database identifiers.
Resource Description Framework (RDF) ontology of active LMSD records for SPARQL querying and semantic web integration.
Tab-delimited list of all LMSD IDs, InChIKeys, and SMILES released dedicated into the public domain under CC0 1.0 Universal.
Comprehensive tab-delimited dataset of computationally generated molecular lipid species, masses, chemical formulae, shorthand abbreviations, and chain types.
Annotations of lipid-associated genes and proteins across multiple species including Entrez, RefSeq, UniProt, GenBank, sequences, and taxonomy.
Curated experimental tandem MS/MS fragmentation spectra of reference lipid standards with instrument parameters, collision energies, and precursor annotations.
Complete reference MS/MS spectra in Mascot Generic Format (MGF), optimized for spectral library searching, GNPS, and mass spectrometry pipelines.
Export of experimental partial spectra annotations: precursor m/z, adducts, LMSD classes, and sample extraction strategies.
Complete collection of experimental partial spectra MS/MS peaks exported in Mascot Generic Format (MGF).
Standalone Perl and command-line scripts for mass spectrometry combinatorial expansion, structure generation, and MS calculation.
Standalone Perl and command-line scripts for mass spectrometry combinatorial expansion, structure generation, and MS calculation (ZIP format).
Command line Perl scripts to generate ontology data using structure data in SD file(s).
Command line Perl scripts to generate ontology data using structure data in SD file(s) (ZIP format).
PHP combinatorial expansion library to generate datasets containing species names, m/z, and molecular formula for main lipid categories.
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