MNova - Multivendor software suite designed for combined NMR, LC/GC/MS and Electronic & Vibrational Spectroscopic techniques. Compatible with Windows, Mac and Linux OS. License is required.
Bruker Topspin - Bruker offers their NMR software for processing free to academic users. You must register with Bruker to download. Compatible with Windows and Mac OS.
Spectragryph - Optical spectroscopy processing software for UV-VIS, NIR, FTIR, Raman, fluorescence, LIBS, XRF data. Capable of opening multiple vendors and file formats. Free for private and academic use. Compatible with Windows. Could be run on Mac or Linux using a Windows virtual box or emulator such as Wine/WineBottler.
OpenChrom - Open source software for chromatography, spectrometry and spectroscopy. Data from different systems can be imported and analyzed, hence it’s a vendor independent software. It runs under Windows, Mac and Linux OS.
Below are helpful guides or documents that outline standard operation protocols for the SIF instruments. Contact the SIF staff for any clarifications.
- instructions on how to login to specific instrument computers that use Active Directory Services for personal accounts.
- NMR experiment quick guide
- NMR sample preparation guide
- Bruker AVIII400 SampleJet user guide
- Bruker Topspin command guide
- E500 EPR user guide
- Bruker MALDI-TOF user guide
- Agilent LCMS-SQ acquisition guide
- Agilent LCMS-TOF acquisition guide
- Shimadzu GCMS-TQ acquisition guide
- ThermoScientific LCMS-TQ acquisition guide
- Jasco J-1500 CD user guide
- Thermo Scientific Nexus 670 FTIR user guide
- Varian Cary 100 Bio UV-vis user guide
Want a complete refresher on how to use one of the instruments? Don't want to hear your own voice when reading the manuals above? We also have videos available for your reference.
Other Useful Resources
Integrated Spectral database System of Organic Compounds
- Database of spectra for 20 000 compounds. The spectra include mass spectrometry, 1H NMR, 13C NMR, ESR, IR and Raman.
NMR Spectroscopy Links
Chemical shift list of NMR solvents and trace impurities
- CIL NMR Solvent Data Chart
- Fulmer et al. Organometallics 2010, 29, 2176 [Article and Supporting Info]
Online NMR Spectrum Predictor - Dr. Luc Patiny of École Polytechnique Fédérale de Lausanne created a website that allows NMR users to draw/input a chemical structure and predict its 1H, 13C, COSY, and HSQC/HMBC spectra.
Chemical Shift Database - Prof. Hans J. Reich from the University of Wisconsin has compiled a vast list of 1H, 13C, 19F, 31P and 77Se chemical shifts and couplings.
EPR Spectroscopy Links
What is EPR? - A consice description of the theory behind EPR spectroscopy. (EPR facility, University of Texas Austin)
EPR Sample Guide - Useful notes to prepare EPR samples (EPR Facility, Caltech) NOTE: At NYU Chemistry we have an X-band CW EPR system.
Mass Spectroscopy Links
SIS Online MS Tools - Series of online tools/utilities including Exact Mass Calculator, Mass Spectrum Simulator and a chart of elements/isotopes with exact mass and abundance percentage. (Scientific Instrumnet Services)
Optical Spectroscopy Links
Introduction to IR Spectroscopy - Description of IR spectroscopy and table of absorption frequencies of common functional groups. (Prof. William Reusch, Michigan State University)