About MIMI

MIMI (Molecular Isotope Mass Identifier) is a command-line tool to identify molecular formulas for chemical compounds present in complex samples using data from Ultra High Resolution Fourier Transform Ion Cyclotron Resonance (UHR-FT-ICR) mass spectrometry (MS).

To accelerate and streamline the analysis of complex mixtures of small molecules – such as metabolite samples for environmental, biological, or paleontological studies – MIMI compares the measured masses of peaks in mass spectra against precomputed theoretical masses for a defined set of compounds. MIMI supports both data from publicly available molecular databases and custom lists, and it accommodates samples composed of natural and/or user-specified atomic isotope ratios.

Key Features

  • Advanced Mass Analysis: Processes UHR-FT-ICR mass spectrometry data with high precision

  • Isotope Aware: Supports both natural and user-defined isotope-labeled samples

  • Flexible Ionization: Supports multiple ionization modes (positive, negative)

  • Efficient Caching: Pre-computes theoretical molecular masses for specified compound lists

  • Fine-Structure Pattern Recognition: Analyzes molecular isotopic fine-structure patterns

  • Precise Matching: Detects matching masses with sub-parts per million (PPM) resolution

  • Batch Processing: Handles multiple samples efficiently

  • Database Integration: Supports auto-generation of compound lists from HMDB and KEGG databases

  • Customizable Isotope Ratios: Easily accommodates different user-defined isotopic labeling ratios

  • Command-line Utility: Simple command-line interface for rapid characterization of complex mixtures

License

MIMI is distributed under an NYU Non-Commercial Research License. See License for more information.

Report Issues

Please use GitHub Issues to report bugs, request help using MIMI, or to make feature requests.