Thermo Scientific™

LipidSearch™ Software

Related applications:

Industrial Mass Spectrometry

Lipidomics is crucial to understanding cellular physiology and pathology, and lipid profiling for disease phenotype analysis is a rapidly growing area in translational medical research. LC/MS is a powerful technique for the identification and quantitation of cellular lipids. The Thermo Scientific™ LipidSearch™ Software processes LC-MS data, including the high-resolution accurate-mass data generated by Thermo Scientific™ Orbitrap™-based mass spectrometers, to make provide accurate lipid identification. It automatically integrates complex data into reports and dramatically reduces data analysis time. 
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Developed jointly by Professor Ryo Taguchi and Mitsui Knowledge Industry Co. (Tokyo, Japan), Thermo Scientific™ LipidSearch™ Software is a powerful tool for automatic identification and relative quantification of cellular lipids from LC-MS data. The Lipidsearch software features:

  • Compatibility with Thermo Scientific triple quadrupole, ion trap, and Orbitrap LC-MS systems
  • Lipid database containing >1.5 million lipid ions and their predicted fragment ions
  • Identification algorithms for product ion, precursor ion, and neutral loss scans
  • Alignment of lipid data obtained from multiple LC-MS and LC-MSn experiment
  • Relative quantitation of identified lipid precursors in either LC-MS or infusion experiments

Smart Peak Detection for More Accurate Identification and Quantification

The peak detection engine implemented in LipidSearch software can accommodate data from multiple types of mass spectrometers and multiple types of MS experiments. The combination of unique peak detection algorithms, tailored for each experiment and instrument type, and mass spectral processing functions ensures accurate peak detection for better identification and quantification.

Extensive Lipid Database for More Comprehensive Identification

The database contains defined structures and includes more than 1.5 million lipid ions and their predicted fragment ions. Fragmentation patterns are calculated and improved using expert knowledge and experimental results. Lipid adduct ions and MSn fingerprints are also included. Data are stored in XML files and are easily customized.

Dual Identification Algorithms to Accommodate Different Types of Data

LipidSearch software includes a group-specific ID algorithm optimized for targeted identification and a comprehensive ID algorithm optimized for untargeted identification. The group-specific algorithm uses precursor ion scans and neutral loss scans to identify lipids based on the polar head groups or fatty acids. The comprehensive ID algorithm uses a combination of product ion scans and database matching to identify lipids. LipidSearch software also includes scoring algorithms to filter out lower probability results.

Peak Alignment for Better Quantitation

Prior to quantitation, the extracted chromatographic peaks from each sample are aligned within a retention time window, ensuring more accurate quantitation.