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. Updated 5 May 2016.

Click on the table headers to sort.
ApplicationPriceLinkNotesUpdated
iNMR5.3.6€300http://www.inmr.net/Several licensing options, specifically written for MacOSX, with spotlight and quicklook plugins. Now linked to DOSY toolbox06/05/2014
iNMR Reader€30http://www.inmr.net/Similar to iNMR without "save" option25/10/2007
INSENISITIVE$0http://www.chemie.uni-hamburg.de/nmr/insensitive/Insensitive (Incredible Nuclear Spin EvolutioN SImulation Tool Intended for Visual Education)10/9/10
NMRpipe$0http://spin.niddk.nih.gov/bax/software/NMRPipe/NMRPipe is a collection of UNIX-based programs for multidimensional spectral processing and analysis25/10/2007
NMRpipe$0http://spin.niddk.nih.gov/bax/software/NMRPipe/NMRPipe is a collection of UNIX-based programs for multidimensional spectral processing and analysis25/10/2007
NMRViewJ$0, paid supporthttp://www.onemoonscientific.com/nmrview/NMRView 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€1175http://www.mestrec.com/Several licensing options, NMR processing, analysis and simulation25/10/2007
Mnova Lite€490http://www.mestrec.com/1D processing only29/04/2009
Chenomx?? http://www.chenomx.com/products/ Free Evaluation, NMR processing, analysis and simulation12/01/2008
mMass$0 http://www.mmass.org/Open source Mass Spectrometry Tool.02/04/2008
Peacock?? http://www.johankool.nl/software/peacock/ Used to interpret gas-chromatography/mass-spectrometry (GC/MS) data files.02/04/2008
CNMRazor$0 http://www.cnmrazor.com/13C virtual spectrometer.10/06/2008
HNMRazor$0 http://www.hnmrazor.com/1H virtual spectrometer.10/06/2008
Sweet J$0http://www.inmr.net/sweetj.html/A Desktop Calculator for the Karplus Equation.1/04/2009
CARA$0http://www.nmr.ch/NMR spectra and computer aided resonance assignment26/04/2009
MSpin$700http://www.mestrec.com/index.php?idp=2&i18n=1Compute Scalar Coupling Constants, NOE intensities and Residual Dipolar Coupling Constants29/04/2009
CcpNmr Suite$0 http://www.ccpn.ac.uk/ccpn/software/ccpnmr-suite/A series of programs for macromolecular NMR spectroscopy 01/04/2010
NPK$0 http://abcis.cbs.cnrs.fr/NPK/index.htmlNMR processing program01/04/2010
MassXpert$0 http://www.massxpert.org/wiki/Mass Spec program12/07/2011
xhromatogram$0 http://www.mt-se.com/xhr_1.htmlMass Spec and chromatograpy data viewer17/04/2010
NMRShiftDB$0 http://nmrshiftdb.nmr.uni-koeln.de/Free NMR shift database25/04/2011
OpenChrom$0 http://www.openchrom.net/main/content/index.phpsoftware for chromatography and mass spectrometry06/06/2012
Maltcms$0 http://maltcms.sourceforge.net/home/index.htmlModular Application Toolkit for Chromatography Mass-Spectrometry01/07/2012
pycifrw$0 https://bitbucket.org/jamesrhester/pycifrw/wiki/HomeMPyCIFRW provides support for reading and writing CIF (Crystallographic Information Framework) files using Python22/10/2012
MassXpert$0 http://www.massxpert.org/wiki/Mass Spec program12/07/2011
Accept-NMR$0 http://mcdermott.chem.columbia.edu/software/ 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 http://rnmr.nmrfam.wisc.edu rNMR is an add-on package developed for R21/03/2014
CASA$0 http://eos.univ-reims.fr/LSD//JmnSoft/CASA/Assign 13C to carbon atoms in structure09/05/2014
LSD$0 http://eos.univ-reims.fr/LSD/index_ENG.htmlFind all possible molecular structures of an organic compound that are compatible with its spectroscopic data09/05/2014
Topspin$0 for education https://www.bruker.com/nc/service/support-upgrades/software-downloads/nmr/free-topspin-processing.htmlNMR processing package from Bruker09/05/2014

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.