METLIN-CCS Lipid Database: An authentic standards resource for lipid classification and identification.

• DOI: 10.17615/0y1b-ha48
• Publication Date: 2024-05-27
• Authors: Siuzdak, Gary; Giera, Martin; Hoang, Corey; Connell, Lisa; Heyman, Heino M.; Baker, Erin S.; Uritboonthai, Winnie; Olivier-Jimenez, ...; Aisporna, Aries

Ion mobility spectrometry (IMS) has emerged as an important technology for the characterization of small molecules in biochemical and biological research. Here we present the METLIN-CCS Lipid Database, which includes collision cross section (CCS) values and IMS data for 750 unique lipid standards, many of which are not publicly available at present. Our database provides CCS values obtained by measuring each standard (in triplicate) in both positive and negative ionization modes, yielding seven different ion-types (for example, [M+H]+, [M+Na]+, [M−H]−, [M+NH4]+, [M+H−H2O]+, [M+Cl]− and [M+HCOO]−).