Section 7.1 (lipid annotations and ID converters)

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capture_7.1 Goslin MS-DIAL LipidSig 2.0 LipidOne Skyline BridgeDb Chemistry Development Kit LipidLynxX RefMet
Supported lipid categories FA;GL;GP;SP;ST;PR;PK;SL; FA;GL;GP;SP;ST;PR;SL; FA;GL;GP;ST;PR;SL;PK;SP; — — FA;GL;GP;SP;ST;PR;SL;PK; 8 4 8
Input style TSV (tabular format) MzML, cdf, abf, hive, sciex, waters, bruker, shimadzu, thermo, agilent CSV, TSV, XLSX Txt, csv Reads Agilent, Bruker, Sciex, Shimadzu, Thermo, Waters, mzXML, mzML, mz5. Imports most search tool outputs. TXT, CSV, TSV CML, SDF, MDL molfile, SMILES, other files supported by Chemistry Development Kit Text, CSV, Excel, REST service Text, REST service
Output style TSV (tabular format) Mztab-M, ms-dial format table (txt), massbank, msp, mgf CSV, PDF, Csv, png Iteratively create methods for major mass spec vendors. Custom reports. HTML, CSV, Excel CML, SDF, MDL molfile, SMILES, InChI, InChIKey HTML, CSV, Excel HTML, CSV
Supported levels of structural annotations At species level / sum composition level;At molecular species level - e.g. where acyl chains are known;Fully defined structure ; At species level / sum composition level;At molecular species level - e.g. where acyl chains are known;Fully defined structure ; At species level / sum composition level;At molecular species level - e.g. where acyl chains are known;Fully defined structure ; At species level / sum composition level;At molecular species level - e.g. where acyl chains are known; — Lipid and lipid categories (neutral only) Molecular species Species, molecular species, structure defined levels Species, molecular species, structure defined levels
Link to external databases LIPID MAPS, SwissLipids, ChEBI LIPID MAPS LIPID MAPS, LipidBank, HMDB, ChEBI, KEGG, PubChem, SwissLipids, MetaNetX STRING — LIPID MAPS LMSD, ChEBI, HMDB — LIPID MAPS LMSD, SwissLipids, HMDB, LION/Web, ChEBI, PubChem, KEGG, Rhea, Uniprot KB Metabolomics Workbench structure ID, PubChem, KEGG