Instrumentation
The Small Molecule NMR Facility is currently comprised of four Bruker NMR spectrometers operating at 600, 500 and 400 (2).
400 MHZ
The 400 MHz instrument is equipped with an 9.4 Tesla Oxford magnet which is controlled by a Bruker AV-400 console. The main NMR probe for this instrument is a 5 mm Z-gradient broadband(BBFO) 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 equipped with a 60 specimen sample changer that runs that runs continuously 24/7.
The 2nd 400 MHz spectrometer is located in MRB-IV 12440 and equipped with a 9.4 Tesla Bruker magnet controlled by a AVIII-HD console. The NMR probe for this spectrometer is a BBFO probe. This spectrometer is also equipped with a 60 specimen Sample Express sample changer that runs continuously 24/7.
500 MHz
The 500 MHz instrument is shared spectrometer with the Center for Structural Biology (CSB) NMR Facility. It is equipped with an 11.7 Tesla Oxford magnet which is controlled by a Bruker AVIII console. The main NMR probe for this instrument is a 5mm Z-gradient broadband (BBFO) probe with automatic tuning and matching capability (ATM) . Other probe for this instrument is a 5mm QCI (1H/19F, 31P, 13C, 15N) cryogenically cooled probe. 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 along with variable temperature experiments.
600 MHz
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 mL removable flowcells. This spectrometer is further equipped with a 24 specimen Sample Case sample changer along with a 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. We would like to acknowledge the National Institute of Health (NIH, grant award number S10 RR019022) for supplying funding to purchase this instrument and accessories.