Aom2S

Aom2S interprets high-resolution tandem mass spectrometry (HR-MS/MS) data to assign precursor and product ions and localize modifications in DNA and RNA oligonucleotides.

Key Features:

• Flexible modification support: Supports fixed and variable modifications and handles modified DNA and RNA oligonucleotides including aminoC6-DNA and inosine-RNA.
• Isotopic pattern matching and similarity scoring: Matches theoretical isotopic patterns to experimental mass spectra and uses similarity scores to rank candidate matches.
• Precursor and product ion assignment: Performs automatic precursor and product ion assignment including analysis of internal fragments and localization of modifications.
• Fragmentation maps and graphical outputs: Generates fragmentation maps to visualize product ions and modification sites.
• Instrument and data compatibility: Analyzes HR-MS/MS data including spectra acquired on LTQ Orbitrap FT-MS instruments.
• Export formats: Exports results as tables, matched mass spectra, and fragmentation maps.

Scientific Applications:

• Nucleotide modification analysis: Identifies and localizes modifications in DNA and RNA oligonucleotides, including aminoC6-DNA and inosine-RNA.
• Structural characterization: Provides structural insights into oligonucleotide modifications using HR-MS/MS data.
• Research domains: Supports studies in genomics, epigenetics, and molecular diagnostics that require characterization of nucleotide modifications.

Methodology:

Matches theoretical isotopic patterns to experimental mass spectra and ranks matches with similarity scores, and performs automatic precursor/product ion assignment including internal fragment analysis for modification localization.