searchMS2

querySpec

precursor m/z that query spectrum derived from

premz

dbname

score function, 'distMS2','cos' or 'tanimoto'

scoreFun

output.record

plot query spectrum and the top-ranked spectrum

plot.top


search MS2 spetra from the database. Ranking is based on the distance metric that
defined by Cao et al. 2008, cosine and Tanimoto similarity.


 manip 

Ion fragmentation provides structural information for metabolite identification. This package provides utility functions to manage and analyse MS2/MS3 fragmentation data from ion trap mass spectrometry. It was designed for high throughput metabolomics data with many biological samples and a large numer of ion trees collected. Tests have been done with data from low-resolution mass spectrometry but could be readily extended to precursor ion based fragmentation data from high resoultion mass spectrometry.

Mingshu Cao

iontree

Data management and analysis of ion trees from ion-trap mass spectrometry

searchMS2 function

search MS2 spetra from the database. Ranking is based on the distance metric that
defined by Cao et al. 2008, cosine and Tanimoto similarity.

searchMS2: Search MS2 spectrum from sqlite database

Description

Usage

Arguments

Value

Details

References

See Also