MIND4OLIGOS

MIND4OLIGOS predicts the monoisotopic mass of oligonucleotides observed in high-resolution mass spectrometry by adapting the MIND algorithm for oligonucleotide data, enabling more accurate annotation of complex spectra.

Key Features:

• Monoisotopic mass prediction: Predicts monoisotopic mass from the more readily detectable, most-abundant peak mass.
• MIND algorithm adaptation: Adapts the MIND algorithm, originally developed for top-down proteomics, for use with oligonucleotide data.
• Validation on diverse data sets: Validated on both in silico and real-world oligonucleotide data sets.

Scientific Applications:

• Oligonucleotide therapeutic characterization: Supports accurate determination of molecular composition for identifying impurities, degradants, and modifications that affect drug efficacy and safety.
• Complex mass spectra annotation: Enhances annotation of complex spectra of oligonucleotides where the monoisotopic peak is often undetectable, especially for large molecules.

Methodology:

The MIND algorithm, originally developed for top-down proteomics, was adapted for oligonucleotide data to predict monoisotopic mass from the most-abundant peak mass.