Chemistry NMR Facility

The Department of Chemistry NMR Facility comprises Thirteen NMR spectrometers ranging from 300 to 700 MHz. Ten spectrometers are located in the basement of the Chemistry Building, one in the Teaching Laboratory, one in the Centre for Radiochemical Research, and one in the Sir Robert Robinson Laboratory. The majority of instruments can be used in either walk-up or manual mode and the availability of instruments can be checked via the status website; more detailed bookings can be made and viewed on the booking website. We also have a sister facility in the Manchester Institute of Biotechnology which houses 1H optimised cryoprobe instruments at 800 and 500 MHz for high sensitivity studies of biological and chemical systems, and a 400 MHz instrument to support routine chemistry.

Software

The Department of Chemistry maintains licenses or open access to the NMR-related software packages listed below.

Mestrelab Mnova
NMR processing software

For managed desktops:
Install from the Software Centre.
If that doesn’t work, install this version available that can be installed without admin rights: Installer. Then download and install this license file: MNova License.

For laptops and unmanaged desktops:
Download the latest version of mNova from the Mestrelab website.
Install the software following these instructions,
Download and install this license file: MNova license.
You must connect your computer to the University of Manchester VPN to activate the software.

ACD/Labs Spectrus Processor
NMR, IR and MS processing software

For managed desktops:
Install from the Software Centre.

For laptops and unmanaged desktops:
Download this PDF: Installation instructions.

Bruker Topspin
NMR processing software

Developed by Bruker, Topspin is free for academic use, and the department has additional licenses for more advanced features (CS NUS processing, CMC). 

Download from Bruker
You must register for an account first here

University of Manchester students and staff can access manuals online here.

OpenVnmrJ
NMR processing software

Formerly developed by Varian then Agilent as VnmrJ, OpenVnmrJ was released as an open source software in 2016. 

Download from Open VnmrJ.

General NMR Analysis Toolbox (GNAT)
Advanced NMR processing software

GNAT is free (and developed in the Department of Chemistry) and useful for more advanced processing than a simple Fourier Transform and integration. Use GNAT for processing DOSY and Relaxation data. Formerly developed as the ‘DOSY Toolbox’, this software is for advanced data processing and is developed by Prof. Mathias Nilsson in the Department of Chemistry 

Download from Manchester NMR Methodology Group.

ChemDraw
Drawing tool with useful prediction of 1H and 13C spectra.

1. Go to the Revvity web page and log in. You will need to register (here first) for an account using a University of Manchester email address.
2. Click List Downloads, and select ChemDraw Professional. Download the appropriate installer for your system.
3. Once the software package is downloaded, you can install it on your computer.
4. You can get the activation code from the Revvity website under the entitlements section (ChemDraw Professional. LARGE Academic Institutional Subscription).

Access

Access to the NMR facility is currently available with no charge at point of use to all staff and students at the University of Manchester; priority is given to those in the Department of Chemistry.

We offer NMR analysis as a service for both external and internal samples.

For External Users:

If you are from outside the University of Manchester and wish to use our NMR services, please contact the NMR staff with a detailed NMR experiment request or complete this form.

For Internal Users:

If you require training for manual use of the instruments, please contact the NMR staff to discuss training options.

For access to the walk-up systems, please follow these steps:

1. Follow the instructions in this document, showing how to request NMR walk-up access through PPMS. The process requires two steps, which are to Request a Walk-up NMR project and to order a Basic Walk-up Service, detailed in step 2 and 3.

2. Submit a Project Creation Request for Walk-up NMR.

3. Then place an order for the Basic Walk-up Service for Chemistry or MIB depending on your requirements.

4. Complete an appropriate risk assessment (proforma: pdf) for NMR walk-up use, and give a signed copy to your supervisor. Note that you must assess the risks of sample preparation separately.

5. Attend an NMR facility induction. Sign up sheets for the inductions are located on the notice board outside B.14.

6. Send an email to Chem-NMR@manchester.ac.uk confirming that (a) you have completed your risk assessment, (b) you have attended training/induction and (c) you agree to follow the submission guidelines. You will then have your account activated and data server access will be requested from IT services on your behalf. Please add a request to your email if you require a tour of the facility.

7. If you require access to manually use the NMR spectrometers, please visit the NMR staff in Chemistry Building Office B.23A and discuss your needs with them. You can arrange a meeting with staff by emailing first, and they will arrange training and an induction. Before booking instruments, you will need PPMS access (see these instructions) with silver level subscription to the magnetic resonance research (MRR) platform.

See also Procedures and Methods Sheets and Generic Risk Assessments on the school’s Health and Safety pages)

Instrumentation

The NMR facility in the Department of Chemistry comprises of 11 NMR spectrometers at 300–600 MHz including a 400 MHz solid state instrument and a 300 MHz instrument in the undergraduate teaching laboratory.

Bruker AVIII HD 500 – Gold – B500 B14

This instrument is equipped with a nitrogen-cooled broadband Prodigy cryoprobe. It has a sixty position SampleXpress sample changer and runs routine samples in automation 24/7. It packs some impressive signal : noise specifications with standard samples giving ratios of 1H: 1350, 13C: 750 and 19F: 1200.

Bruker AVIII HD 400 – Cyan – B400 B11

This instrument is equipped with a nitrogen-cooled broadband Prodigy cryoprobe. It has a sixty position SampleXpress sample changer and runs routine samples in automation 24/7. It is used as a walk up research instrument to support high throughput analysis for chemistry researchers. Signal : noise specifications with standard samples include 1H: 1050, 13C: 475 and 19F: 850.

Bruker NEO 500 – Jade – B500 B07

This instrument is equipped with a range of probes for analysis of complex chemical systems and methods development. Probes include a high field-gradient probe for measurement of diffusion of large molecules, a 3-channel H-F-X probe with triaxial field gradients, and a BBFO probe for standard characterisation experiments.

Bruker AVII+ 500 – Fawn – B500 B11

This 3 channel instrument is equipped with a range of probes that allow a multiple operating modes, from routine high throughput chemical analysis, to characterisation of biomolecules (including proteins), to reaction monitoring. Probes include BBI and BBFO probes for standard chemical characterisation experiments, and QXI and TXI probes for biological samples. This instrument is equipped with -120 °C to +120 °C temperature control and a Bruker InsightMR Flow Unit for reaction monitoring.

Bruker AVIII HD 600 – Knot – B600

Situated in the Sir Robert Robinson Laboratory, the Bruker AVIII HD 600 features a 13C-optimised helium-cooled cryoprobe that enables high throughput characterisation of the most complex chemical species created in the department’s laboratories. It boasts signal to noise ratios of 3200 for 1H and a huge 2800 for 13C.

Bruker AVIII 400 – Solids – B400SS

This Bruker AVIII 400 instrument provides capability for the study of a broad range nuclei for samples in the solid state. It has a range of probes that will accommodate 7 mm, 4 mm, or 2.5 mm rotors.

Bruker Fourier 300 – Teal – B300 TL

This 300 MHz spectrometer, located in our synthesis teaching laboratory adjacent to Mass Spectrometry, HPLC and GC instruments, is dedicated to our undergraduate teaching program. It features a high-throughput 1H/13C dual probe and 60 position SampleXpress sample changer which enables multiple data collections for each student in a teaching session.

Varian VNMRS 500 – Ferret – V500 B04

This 3-channel 500 MHz instrument is the last in a long line of Varian NMR spectrometers in the department. The spectrometer is equipped with a wide range of probes that can access the frequency of almost any nucleus, with additional capabilities including triaxial gradients, LC flow, and H-X-Y tuning.

Bruker AVIII 400 – Pink – B400 B14

This 400 MHz instrument is a core walk-up provider, It is fitted with a double resonance broadband probe which enables observation of 1H in addition to 19F or nuclei with frequencies from 31P to 15N. It has a sixty position BACS sample changer and is primarily used to run service samples in automation.

Bruker AVIII 400 – Blue – B400 B10

This instrument is equipped with a double resonance broadband probe which enables observation of 1H and nuclei with frequencies from 31P to 15N, as well as 19F. It has a sixty position BACS sample changer and is primarily used to run service samples, reaction monitoring, and for NMR methodology research. The instrument may be booked for manual use by trained operators.

Bruker DRX 300 – Ruby – B300 B10

The oldest instrument in our facility with a magnet dating back to 1996, the Bruker DRX 300 is equipped with a switched quattro nucleus probe for observation of 1H and 13C, 19F or 31P nuclei. The instrument provides ‘burst’ capacity for the walk-up service and is used for NMR methodology research projects, it has a sixty position BACS sample changer.

Nanalysis 60PRO – Lime – N60 TL

This fully integrated and portable 1.4 T benchtop NMR spectrometer is equipped with a dual probe for collection of 1H and 31P spectra. It supports our undergraduate teaching program and vacation outreach activities.

Support

NMR staff are available to advise users on experiment selection, run routine and bespoke experiments, and support users in processing and analysing data and writing research articles. Please contact a member of staff if you have any questions.

In order to streamline and manage support requests and better serve NMR users, we utilize now PPMS to receive NMR orders. Every request is assigned a unique order number which you can use to track the progress and responses online, whether you make an enquiry through our portal, via email, or directly with a member of staff.

NMR service requests within the University of Manchester should be raised directly via the PPMS.

Users from outside the university should complete this form.

All requests are archived to ensure data can be easily found and assigned in the future.