LC-IMS-MS Feature Finder

LC-IMS-MS Feature Finder identifies molecular ion signatures in multidimensional liquid chromatography-ion mobility spectrometry-mass spectrometry (LC-IMS-MS) datasets by clustering deisotoped peaks using monoisotopic mass, charge state, LC elution time, and ion mobility drift time to support identification and quantification of proteomics and metabolomics species.

Key Features:

• Molecular Ion Signature Identification: Clusters deisotoped peaks by monoisotopic mass, charge state, LC elution time, and ion mobility drift time to identify distinct molecular ion signatures.
• Co-eluting Species Detection: Detects and quantifies co-eluting chemical species within LC-IMS-MS data.
• Conformational Separation via IMS: Utilizes ion mobility drift time to separate and characterize species that exist in multiple conformations.

Scientific Applications:

• Proteomics: Enables detection and characterization of peptide and protein ions in LC-IMS-MS proteomics experiments.
• Metabolomics: Supports identification and quantification of small-molecule metabolites in complex samples.
• Complex mixture analysis: Facilitates deconvolution and analysis of multiple co-eluting and conformationally heterogeneous compounds in complex mixtures.

Methodology:

Clustering of deisotoped peaks based on monoisotopic mass, charge state, LC elution time, and ion mobility drift time; detection and quantification of co‑eluting species; and use of ion mobility drift times to separate conformers.