ZhuMSLab/DecoMetDIA: DecoMetDIA: Deconvolution of Multiplexed MS/MS Spectra for Metabolite Identification in SWATH-MS based Untargeted Metabolomics

DecoMetDIA picks peaks from SWATH acquired data with XCMS and extracts MS2 EICs under related SWATH window for each feature of different sample. Deconvolution algorithms are applied to MS2 EICs for each feature and thus MS2 spectra are generated. The features are identified by matching the obtained spectra with librarial ones.

Getting started

Package details

AuthorYandong Yin
MaintainerZhulab <zhulab@sioc.ac.cn>
LicenseGPL (>= 2)
Version1.0.0
Package repositoryView on GitHub
Installation Install the latest version of this package by entering the following in R:
install.packages("remotes")
remotes::install_github("ZhuMSLab/DecoMetDIA")
ZhuMSLab/DecoMetDIA documentation built on March 21, 2022, 9:57 a.m.