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Instrumentation

The Small Molecule NMR Facility is currently comprised of four Bruker NMR spectrometers operating at  600, 500,  400 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 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 inverse (BBI) 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 two-dimensional (2D) experiments such as COSY, DQF-COSY, NOESY, TOCSY, HMQC and HMBC since the BBI probe configuration offers superior 1H sensitivity compared to the QNP probe.

 

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 mL removable flowcells.  This spectrometer is further equipped 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 acknowlege the National Institute of Health (NIH, grant award number S10 RR019022) for supplying funding to purchase this instrument and accessories.

DPX-300   •  DRX-400   •  DRX-500   •  AV-II-600  


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