Line up every MS/MS spectrum in a molecular-networking component and see which
fragment peaks are shared across the whole family. The tool builds a minimum
spanning tree from modified-cosine similarities, walks it to align peaks
transitively into sets, and draws the spectra stacked on a common
m/z axis — click any peak to light up its set everywhere it appears.
The alignment runs entirely in your browser; only the source spectra are fetched
from GNPS2. Port of the Wang Lab
NetworkFamily Multiple Alignment tool.
Reads nf_output/networking/pairs_with_components.tsv to find the
component's scans and the consensus specms MGF for their spectra.
Resolves the component's clusters from the FBMN cluster summary, then pulls each
cluster spectrum from nf_output/clustering/spectra_reformatted.mgf.
Any USI the metabolomics resolver understands (GNPS2/GNPS, MassIVE, Metabolomics Workbench, …). The scan number in each USI labels its spectrum.
Each set is a group of peaks aligned across spectra. % top-10 is the share of a set's peaks that rank among the 10 most intense peaks of their own spectrum — higher means the set tracks prominent fragments. Click a row to highlight that set above.
| Set # | Size | % top-10 |
|---|
The pipeline mirrors the upstream tool: each spectrum is reduced to its window-local top-6
peaks (peaks within 17 Da of the precursor removed, intensities square-rooted then
L2-normalized); pairwise modified cosine (0.1 Da fragment tolerance, precursor-mass
shifts allowed) seeds a minimum spanning tree; a breadth-first walk of the tree aligns
adjacent spectra and chains matches transitively into sets, with remaining cross-pairs merged
in. This is a discovery/visualization aid, not a scoring pipeline. The task and FBMN methods
fetch from GNPS2, whose result endpoints only permit cross-origin requests from
apps.gnps2.org — so run those on the deployed site; the USI method works anywhere.