Match MS/MS spectra against reference libraries to identify compounds.
npx skills add https://github.com/dailycafi/metabolism-skills --skill matchms-dailycafi
Please help me install this Agent Skill. Skill: matchms Source: https://github.com/dailycafi/metabolism-skills/tree/main/skills/ms-data-processing/matchms Command: npx skills add https://github.com/dailycafi/metabolism-skills --skill matchms-dailycafi
Mass spectrometry data analysis requires accurate and scalable identification of compounds by comparing MS/MS spectra to reference libraries. Manual spectrum matching is slow and error-prone, especially for large datasets.
Load a query MS/MS spectrum and run a library search to identify the top matching compound.
High-intent search queries and answers about installing and using this skill.
You can identify unknown compounds by matching MS/MS spectra against reference libraries. This approach loads spectral data and computes similarity scores to return top candidate identifications for untargeted metabolomics.
Spectral library matching supports common mass spectrometry formats including MGF, MSP, and mzML. You can load query spectra from these files to compute similarity scores against reference libraries.
You can calculate cosine similarity for mass spectrometry data using Python-based workflows. The process computes multiple spectral similarity metrics to match query MS/MS spectra against reference libraries.
Yes, spectral matching results integrate with downstream annotation pipelines. The Python-based workflow ensures metadata harmonization and reproducible processing for untargeted metabolomics and library-driven annotation.
Automating compound identification for large spectral datasets requires matching MS/MS spectra against reference libraries. This replaces slow manual spectrum matching, computing similarity scores to reveal unknowns reproducibly.
dailycafiProcess GC-MS raw data into deconvolved spectra and library-matched compound annotations.
shushuznParse LC-MS/MS spectral files and generate quantification-ready feature maps.
LeonChaoXMatch unknown MS/MS spectra against reference libraries using similarity scoring.
sanand0Process and analyze mass spectrometry data with spectral matching and similarity scoring.
