Spectrometers and other resources

Spectrometers

nmr200 : Bruker AVANCE200 NMR Spectrometer

nmr200 is used as a fast-turnaround instrument for short run experiments. Its primary use is for reaction monitoring and preliminary investigations.

Location Room 523, Level 5 Instrument Room
Probes 5mm dual(CH) with z-gradients
Magnet Oxford narrow bore
Software Windows2000 XWINNMR3.5
Temperature Control BVT3200 temperature controller
Approx. Temperature range:~170-380K

nmr300 : Bruker AVANCE300 NMR Spectrometer

nmr300 is equipped with an autoswitching quad-nucleus gradient probe, and operates using a buttonNMRpanel, allowing 'click and play' operation for most 1D and 2D experiments. It requires minimal user training, although full command line access is also available for more experienced users.

Location Room 107, Level 1
Probes 5mm QNP(HCPF) with z-gradients. Fitted with autoswitch
Magnet 300 SB Ultrashield
Software Windows XP TOPSPIN 2.1
Temperature Control BVT3200 temperature controller
Gas preconditioner
Approx. Temperature range:~270-380K

nmr400a : Bruker DRX400 NMR Spectrometer

nmr400a is a 3 channel spectrometer used for advanced 1D and 2D solution state investigations. It is used extensively for multinuclear applications and structural determination.

Location Room 103-104, Level 1
Probes 5mm BBI with z-gradients.
5mm TXI(CHP) 5mm TXI(CHN) with z-gradients
Magnet 400 SB Ultrashield
Software Windows2000 XWINNMR3.5
Temperature Control BVT2000 temperature controller
Gas preconditioner
Low temperature (liquid nitrogen) accessory
Approx. Temperature range:~170-380K

nmr400b : Bruker DPX400 NMR Spectrometer

nmr400b is used primarily for running NMR Analysis Service samples. It is a 2 channel spectrometer, and has a NMRCase 24-sample changer accessory.

Location Room 106, Level 1
Probes 5mm BBI with z-gradients
5mm dual(CH)
5mm 19F
Magnet 400 SB
Software Windows2000 XWINNMR3.5
Temperature Control BVT200 temperature controller
Gas preconditioner
Low temperature (liquid nitrogen) accessory
Approx. Temperature range:~170-380K

Ancillary

Processing stations and plotting devices

The NMR Processing Room (Room 150) contains six processing computers for detailed processing of all NMR data. All computers operate on a Windows operating system, and run identical software to the NMR spectrometers, as well as additional software, described below. Data is processed directly from a central data server, also located in Room 150.

Plotting support on all spectrometers is via A4 LaserJet printers. Colour A3 printing for detailed analysis of NMR data, including phase sensitive 2D experiments, is available through two printers in the Processing Room. Additional LaserJet black and white A4/A3 printers are also in the Processing Room.

Software

The NMR Facility uses and supports a range of software applications for data processing and report preparation.

NMR Processing
XWINNMR NMR data processing package Bruker
XWINPLOT NMR report presentation package Bruker
TOPSPIN NMR data processing, simulation and report presentation Bruker
MestReC Multiplatform NMR processing Mestrelab Research
MestReNova Multiplatform NMR processing Mestrelab Research
Spinworks Data processing, simulation and dynamic process calculations (Freeware) University of Manitoba, Faculty of Science - Chemistry
Other Applications
ACD Labs HNMR and CNMR Chemsketch and chemical shift prediction package ACD/Labs.com
XnView Graphics viewing and format conversion (Freeware) XnView Software
Mercury Crystal structure visualisation and molecular structure exploration (Freeware) Mercury
ChemOffice Chemical structure drawing package PerkinElmer Informatics
SyncBack SE Automatic Data Archiving and Backup SyncBackPro and SyncBackSE

Data management and storage

All NMR computers are network connected within the School of Chemistry. All data created is automatically transferred and stored on the NMR Data Server, and direct processing from this server is carried out from all processing stations. All data is routinely archived onto CD and DVD storage media. CD and DVD writers are available on all processing stations for users to carry out their own data archiving (strongly encouraged!).

The NMR Facility uses SyncBackSEfor all automated data transfer and archiving.