Vanderbilt Small Molecule NMR Facility Core

Overview of Services

The Small Molecule NMR Facility is currently comprised of five Bruker NMR spectrometers operating at 600, 500, 400 (2) and 300 MHz.

The 300 MHz instrument is equipped with a 7 Tesla Oxford magnet which is controlled by a Bruker DPX-300 console. The main NMR probe for this instrument is a 5 mm Z-gradient QNP probe for the routine acquisition of 1H, 13C, 31P, and 19F. Although this spectrometer is mainly used for routine 1H and 13C NMR experiments, it can also perform standard two-dimensional (2D) experiments such as COSY, DQF-COSY, NOESY, TOCSY, HMQC and HMBC.

The 400 MHz instruments are equipped with an 9.4 Tesla Oxford magnet which is controlled by a Bruker AV-400 consoles. The main NMR probe for these instruments is a 5 mm Z-gradient broadband (BBO) probe with automatic tuning and matching capability (ATM). The tuning range on the “X” channel covers nuclei from 31P (161.89 MHz) to 107Ag (18.62 MHz). This spectrometer is mainly used for the acquisition of standard one and two-dimensional (2D) experiments such as COSY, DQF-COSY, NOESY, TOCSY, HMQC and HMBC These spectrometers are further equipped with two 60 specimen sample changers. Access to the sample changer enables high throughput analysis of multiple samples in an unsupervised automated mode. This ensures samples can be measured at any time of the day or on weekends if necessary. Measurements performed under automation mode can consist of either one or two-dimensional NMR as well as multi-nuclear NMR (13C, 31P, etc.)
The 500 MHz instrument is equipped with an 11.7 Tesla Oxford magnet which is controlled by a Bruker DRX-500 console. The main NMR probe for this instrument is a 5mm Z-gradient QXI probe which can observe ,1H, 13C, 31P and 15N. Other probes for this instrument include a 5mm dual probe which is optimized for direct 13C detection, a 2.5mm and 5mm Z-gradient TXI probes which can observe 1H, 13C, and 15N, and a 5mm non-gradient broadband inverse (BBI) probe. This spectrometer is mainly used for the acquisition of standard two-dimensional (2D) experiments such as COSY, DQF-COSY, NOESY, TOCSY, HMQC and HMBC.

The 600 MHz instrument is equipped with a 14.1 Tesla Bruker magnet which is controlled by a Bruker AV-II console. The main NMR probe for this instrument is a 5mm Z-gradient TCI Cryo-probe which can observe 1H, 13C, and 15N and also comes with 30 and 120 L removable flowcells. This spectrometer is further equipped with a 24 specimen sample changer and LC-SPE-NMR accessory which is capable of both SPE elution and direct LC-stop-flow experiments. The LC accessory is an Agilent series 1200 while the SPE is a 96 well-plate Spark-Holland Prospekt 2. This spectrometer also has a Gilson liquid handler for the automatic loading of small volumes into 1.0, 1.7 and 3.0 mm NMR tubes. This spectrometer is mainly used for LC-SPE-NMR experiments where acquisition of standard one and two-dimensional (2D) experiments such as COSY, DQF-COSY, NOESY, TOCSY, HMQC and HMBC are used to elucidated structures of small quantities of compounds.

Core Staff

Donald Stec
Core Director
(615) 322- 6704
donald.f.stec@vanderbilt.edu
SC1-119

Markus Voehler
Core Back up
(615) 322-1573
m.voehler@vanderbilt.edu
VUBNMR-107

Leadership

Nathan Schley
Faculty Director - Associate Professor of Chemistry

Donald Stec
Core Director
(615) 322- 6704
donald.f.stec@vanderbilt.edu

Hours of Operation and Location

Links and Resources

1. https://medschool.vanderbilt.edu/annmr