LipidQC: Method Validation Tool for Visual Comparison to SRM 1950 Using NIST Interlaboratory Comparison Exercise Lipid Consensus Mean Estimate Values

Abstract

As advances in analytical separation techniques, mass spectrometry instrumentation, and data processing platforms continue to spur growth in the lipidomics field, more structurally unique lipid species are detected and annotated. The lipidomics community is in need of benchmark reference values to assess the validity of various lipidomics workflows in providing accurate quantitative measurements across the diverse lipidome. LipidQC addresses the harmonization challenge in lipid quantitation by providing a semiautomated process, independent of analytical platform, for visual comparison of experimental results of National Institute of Standards and Technology Standard Reference Material (SRM) 1950, "Metabolites in Frozen Human Plasma", against benchmark consensus mean concentrations derived from the NIST Lipidomics Interlaboratory Comparison Exercise.

Comprehensive analysis of oxylipins in human plasma using reversed-phase liquid chromatography-triple quadrupole mass spectrometry with heatmap-assisted selection of transitions

“…Although both samples were from healthy individuals, large variations in the concentration of oxylipins were observed, which is in agreement with previous work [37]. SRM 1950 has been employed in an inter laboratory comparison study for lipid profiling, we compared our results to the concentrations of oxylipins reported by Bowden et al ., [25] using LipidQC software [28]. A total of 11 mediators in our result were matched by LipidQC and 10 of them were within 99% expanded uncertainty as shown in Figure S4, which suggests that our results were consistent to the NIST-ILCE summary report [25].…”

“…For comparing the measured concentrations of oxylipins in SRM1950 with values reported by other laboratories, measured values were converted to nmol/ml prior to importing into LipidQC software [28]. …”

Plasma lipidome reveals critical illness and recovery from human Ebola virus disease

“…2 and SI Appendix, Table S2). This abundance of PS lipids in plasma is unusual because PSs are not typically found in high abundance in human blood plasma (29,30). PSs are not associated with most plasma lipoproteins (31)(32)(33), making up <0.05 wt% of total HDL lipid in healthy individuals (34), suggesting the prevalent PS signature in EVD patients is derived from the lipoprotein-free fraction.…”

Preparative supercritical fluid chromatography for lipid class fractionation—a novel strategy in high-resolution mass spectrometry based lipidomics

“…A recent international interlaboratory comparison provided consensus values for a large number of lipids [57]. An online tool denoted as LipidQC [58] facilitated cross-validation. The concentration was calculated according the following equation: Ceramides ordered after the number of hydroxyl groups in the three fractions, where ceramides were identified (fraction 7-9).…”