OrgMassSpecR is an extension for the R statistical computing language. It contains functions to assist with organic/biological mass spectrometry data analysis.
The mass spectral libraries below currently focus on electron impact (EI) spectra of anthropogenic environmental contaminants and halogenated natural products.
Organic/biological mass spectrometry data analysis (development version). ... Miscellaneous Examples: Heat Maps, PCA, etc. ... Identify halogenated (Br/Cl) mass ...
OrgMassSpecR is an R package for organic/biological mass spectrometry data analysis. An overview of OrgMassSpecR can be found here: ...
This is a read-only mirror of the CRAN R package repository. OrgMassSpecR — Organic Mass Spectrometry. Homepage: http://OrgMassSpec.github.io/ ...
SIRIUS is a software for discovering a landscape of de-novo identification of metabolites using tandem mass spectrometry. This repository contains the code ...
Missing: orgmassspec. | Show results with:orgmassspec.
The script for identifying mass spectra containing bromine and/or chlorine is IdentifyHalogenationScript.R located at the top level of the repository.
Mass spectra of unknown compounds detected in marine mammals from the Gulf of California, Baja California, Mexico. Web Reference: http://OrgMassSpec.github.io.
Contains the data and code to generate the mass spectral library for "Assessing Marine Endocrine Disrupting Chemicals in the Critically Endangered ...
http://OrgMassSpec.github.io/. Package repository, View on R-Forge. Installation, Install the latest version of this package by entering the following in R ...