NPvis

NPvis visualizes and enables evaluation of peptidic natural product (PNP) tandem mass spectrometry (MS/MS) matches to support validation of spectral annotations.

Key Features:

• Interactive spectrum-fragment mapping: Maps annotated MS/MS spectrum peaks onto corresponding PNP fragments to enable visual evaluation of match correctness.
• Adaptation to PNP chemical diversity: Handles the broad chemical diversity of peptidic natural products rather than assuming proteomic peptide chemistry.
• Structure-independent analysis: Performs evaluation of MS/MS matches even when the exact chemical structure of the PNP is unknown.

Scientific Applications:

• PNP discovery and analysis: Supports discovery workflows by facilitating examination and interpretation of MS/MS matches of peptidic natural products.
• Spectral annotation validation: Validates and evaluates the correctness of automated MS/MS spectral annotations for PNPs.
• High-throughput MS/MS assessment: Enables assessment of large MS/MS datasets for rapid validation of candidate PNP matches.

Methodology:

Interactive mapping of annotated MS/MS spectrum peaks to corresponding PNP fragments for visual inspection and validation, with provisions to account for PNP chemical diversity.