Macs in Chemistry

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MacOS X Spectroscopy Applications

Spectroscopy Applications for MacOSX

Since many people appear to be searching the site for spectroscopy applications I thought I'd compile a list. Remember that many of the more expensive applications have free/cheap education or student versions.

Click on the table headers to sort.
iNMR6.4€300 licensing options, specifically written for MacOSX, with spotlight and quicklook plugins. Now linked to DOSY toolbox01/07/2021
iNMR Reader€30 to iNMR without "save" option25/10/2007
ARIA2$0 Restraints for Iterative Assignment) is a software for automated NOE assignment and NMR structure calculatio25/05/2017
INSENISITIVE$0 (Incredible Nuclear Spin EvolutioN SImulation Tool Intended for Visual Education)10/08/18
NMRpipe$0 is a collection of UNIX-based programs for multidimensional spectral processing and analysis25/10/2007
NMRpipe$0 is a collection of UNIX-based programs for multidimensional spectral processing and analysis25/10/2007
NMRViewJ$0, paid support is a program for the visualization and analysis of NMR datasets25/10/2007
NMRnotebook€700http://www.nmrtec.comNMRnotebook is especially designed for chemists, biochemists and spectroscopists dealing with NMR.It allows you to perform state of the art 1D and 2D NMR data processing by just a few mouse clicks25/10/2007
Mnova€1175 licensing options, NMR processing, analysis and simulation25/10/2007
Mnova Lite€490 processing only29/04/2009
Chenomx?? Free Evaluation, NMR processing, analysis and simulation12/01/2008
mMass$0 source Mass Spectrometry Tool.02/04/2008
Peacock?? Used to interpret gas-chromatography/mass-spectrometry (GC/MS) data files.02/04/2008
CNMRazor$0 virtual spectrometer.10/06/2008
HNMRazor$0 virtual spectrometer.10/06/2008
Sweet J$0 Desktop Calculator for the Karplus Equation.1/04/2009
CARA$0 spectra and computer aided resonance assignment26/04/2009
MSpin$700 Scalar Coupling Constants, NOE intensities and Residual Dipolar Coupling Constants29/04/2009
CcpNmr Suite$0 series of programs for macromolecular NMR spectroscopy 01/04/2010
NPK$0 processing program01/04/2010
MassXpert$0 Spec program12/07/2011
xhromatogram$0 Spec and chromatograpy data viewer17/04/2010
NMRShiftDB$0 NMR shift database25/04/2011
OpenChrom$0 for chromatography and mass spectrometry06/06/2012
Maltcms$0 Application Toolkit for Chromatography Mass-Spectrometry01/07/2012
pycifrw$0 provides support for reading and writing CIF (Crystallographic Information Framework) files using Python22/10/2012
MassXpert$0 Spec program12/07/2011
Accept-NMR$0 Predict Protein NMR spectra, and specifically the positions of intermolecular contact cross-peaks, based on the contacts predicted and chemical shift table6/04/2013
rNMR$0 rNMR is an add-on package developed for R21/03/2014
CASA$0 13C to carbon atoms in structure09/05/2014
LSD$0 all possible molecular structures of an organic compound that are compatible with its spectroscopic data09/05/2014
Topspin$0 for education processing package from Bruker09/05/2014
r-maldiquant$0 complete analysis pipeline for matrix-assisted laser desorption/ionization-time-of-flight (MALDI-TOF)05/12/2017
Colvistec$?https://www.colvistec.deInline UV-Vis spectroscopy-based hardware & software solutions04/06/2018
PythoMS$0 A Python framework for analysis of mass spectrometric data30/10/2018
isicle$0 chemical shift calculations05/11/2018

There are also an increasing number of spectroscopy application available for mobile devices.

You might also be interested in the NMRwiki. NMRWiki.ORG was started on Nov 8th 2007; it is and will remain public property of NMR, ESR and MRI professionals and users. At this time NMRWiki.ORG is not affiliated with any official organization, but it is a private volunteer effort. The goal of this site is to provide a collaborative informational resource to Spectroscopists, Chemists, Biologists and others using magnetic resonance techniques. Access to the content is and will remain free of charge to anyone.

Updated 1 July 2021