Nuclear Magnetic Resonance Centre

Bruker 400

• Optimized for routine experiments running under full automation
• 2-channel Avance-III console
• High-Low configuration
• 60-position autosampler
• 5-mm direct detect broadband probe (BBFO) with auto-tune
• Capable of H-F experiments

Our Bruker Avance-III 400 instrument does not require booking. Please contact us if you require training.

Usage requirements:

• Use 7" or 8" standard 5mm NMR tubes.
  • For specialty tubes: maximum recommended length is 220mm
  • Use of 3-mm is possible though the use of an adaptor
    • Use of 3mm samples with CDCL3 is currently not feasible
    • Solvents like D₂O, DMSO, Acetone, DCM, Benzene, Methanol are acceptable
• We highly recommend using Norell SampleVault series for all your needs
• Only completely intact tubes are allowed – this is a general facility rule
• Recommended solvent height is 40mm, which correlates to:
  • 500 uL of solution in standard 5mm tubes
  • 180 uL of solution in standard 3mm tubes
• Day queue is from 9 a.m. to 8 p.m.
• Queue is continuous from Friday to Monday

Varian Unity-Inova 500

• Reserved for service requests from students and industry
• 3-channel Unity-Inova console
• Highly customizable
• Capable of variable temperature experiments ( -80 C to +100 C, probe dependent)

Probes available:

• 5-mm direct detect broadband probe
• 5-mm indirect detect H/C/N probe

Varian Unity-Inova 600

• 4-channel Unity Inova Console
• High-Low-High-Low configuration
• Highly customizable
• Capable of variable temperature experiments ( -80 C to 100 C, probe dependent)
• Requires additional training
• Open for service requests from students and industry

Probes available:

• Custom 5-mm H-F/C/N CryoProbe for indirect detect experiments
• 5-mm H/C/N CryoProbe for indirect detect experiments
• 5-mm indirect detect H/F/C/N quadruple-resonance probe
• Capable of H-F experiments (probe dependent)
• Compatible with other 600 MHz probes
   

Varian VnmrS 600

• 4-channel VnmrS console
• High-Low-Low-Low configuration
• Highly customizable
• Requires additional training
• Open for service requests from students and industry
• Capable of variable temperature experiments ( -80 C to 100 C, probe dependent)

Probes available:

• 5-mm indirect detect H/C/N probe
• 5-mm indirect detect H/C/N probe with 2H decoupling
• 5-mm indirect detect H-F/C/N probe
• 5-mm direct detect broadband probe (H-F, tunable from N15 to P31)

Additional equipment

The following equipment is available though our faculty.

High pressure setup

• 2000 bar maximum pressure
• 100 µL operating volume
• Compatible with 5-mm NMR probes
• 'Mobile' and can be used on 600s/500 MHz instruments

Oxygen high pressure

• 300 bar maximum pressure
• ~200 µL operating volume
• Compatible with 5-mm NMR probes
• Can be used on 600s/500 MHz instruments

Moderate pressure NMR setup

• 10 bar maximum pressure
• 5-mm glass NMR tubes
• can be used on 600s/500 MHz instruments

For processing we recommend using MNova, TopSpin, and VnmrJ. Please note that processing licenses are available only for users affiliated with the University of Toronto.

Licenses

MNova

MNova licences are available through the facility. To download, simply visit the MNova website. Please select the appropriate version and keep software up to date.

TopSpin

Bruker offers free data processing licenses for academic users. Non-academic suers may purchase a license if they wish to use TopSpin for data processing. Please visit the Bruker website for details.

VnmrJ

No licence is required for the processing version of VnmrJ.

Additional Processing Software

• NMRFx: useful for 2D, 3D, and relaxation data
• CCP NMR: useful for 2D, 3D, binding experiments

Jump to: 

• General Information
• Training and Access 
• Computer Systems
• Spectrometer Operation Guidelines
• Policy Violations

Please review the below information and note that all policies are subject to change. Refer back to our website regularly to keep informed of any updates.

We require all users to review our policies and guidelines. Please download the User Agreement Form below, sign, and return before using the NMR Centre. 

General Information

1. User must be trained in WHMIS and any other departmental or University of Toronto safety courses before entering the NMR Centre.
2. User will not use any spectrometers in the NMR Centre unless you have taken the hands-on training from the NMR staff.
3. Any authorized user cannot provide access to any other individual.
4. User will not perform any hardware configuration modifications, repairs, additions on any of the spectrometers or spectrometer accessories in the NMR Centre unless explicitly trained and instructed to do so by the NMR staff.
5. User will report any problems or malfunctions to the NMR Centre's staff as soon as practical.
6. Account sharing is prohibited. User must not use anyone else's account and must not allow anyone else to use their own account.
7. User will keep their password confidential. User agrees to take every precaution necessary to ensure their password is never disclosed, accidentally or otherwise, to anyone else at any time. User is solely responsible for maintaining the security of the password.
8. Use of your account to attempt entry to accounts of which you are not a legitimate owner of on any computing systems is prohibited.
9. The files associated with your account belong to your research group. Your files may be read, altered, or removed if necessary for maintenance purposes only. We do not guarantee any archive of your files.
10. The NMR Centre and its resources must not be used for private consulting or sold to other individuals or businesses. Use of any part of the NMR Centre or its resources for direct personal financial gain or to provide free resources for unauthorized purposes is prohibited.
11. Sharing any of the NMR Centre resources which include but not limited to software, software licenses, spectrometer time, spectrometer accessories, tools, consumables without explicit approval from the NMR Centre manager is prohibited.
12. It is up to the user to familiarize themselves with or seek help from staff when new facility SOPs and/or user guides are announced and become available. It is up to the user to stay up to date with NMR Centre guidelines and policies which are periodically updated on facility’s website and communicated to all users.
13. NMR Centre is a shared space. And as such the long-term storage of any samples, solvents, chemicals, equipment, tool and etc. from individual research labs is prohibited unless explicitly stated.
14. NMR Centre is a lab space. No food or drinks allowed. Only lab appropriate attire is allowed. Safety glasses are not currently mandatory but are highly recommended.
15. NMR Centre operates in “safety first” mode. This includes the safety of all of its users, staff, and equipment.

Training and Access

1. Spectrometer training can only be scheduled after verification of WHMIS training.
2. Access to the lab can only be granted after training.
3. Spectrometer training can only be delivered by approved staff members.
4. Users without training are not allowed to operate spectrometers in any way.
5. Using spectrometers or spectrometer workstations without booking is prohibited.
6. Training on 400/500 MHz instruments is scheduled 5-10 business days ahead of time.
7. Training on 600 MHz instruments is scheduled 10-20 business days ahead of time.
8. Due to the complexity and diversity of spectrometer configurations, there is independent training for each of the spectrometer in the NMR Centre.
9. Due to the complexity and diversity of spectrometer configurations, a training refresher needs to be scheduled after 12 months of not using any particular spectrometer.
10. Due to the complexity and diversity of spectrometer configurations, as well as diversity and complexity of the experiments possible, recently trained and/or less experienced users are prohibited from setting up experiments during the after hours, weekends, and holidays unless explicitly allowed by facility manager. This limitation has to be explicitly lifted by facility management
11. Booking of any high field spectrometer constitutes a large purchase. Any spectrometer time requests have to be done in writing and have to be explicitly approved by supervising faculty member and a facility manager.
12. High field spectrometer booking, in general, are kept to a maximum of 10 business days and are booked no more than 6 weeks ahead of time. Any exclusions from these rules will be discussed with supervising faculty members.
13. Due to high demand for spectrometer time, spectrometer load is regulated by facility management. Timelines of projects are discussed with faculty members.
14. NMR Centre management maintains the right to postpone or deny any experiment due to safety concerns.
15. NMR Centre management maintains the right to reschedule or cancel experiments due to spectrometer downtime. It is the end user’s responsibility to look for the next available booking window.

Computer Systems

1. Use of USB keys, USB storage devices, or any other external USB devices other than the ones provided by NMR Centre is strictly prohibited.
2. Any modifications, software or hardware, to any of the workstations owned and operated by NMR Centre is prohibited.
3. Power cycling or restarting any workstations owned and operated by NMR Centre is prohibited unless explicitly instructed by staff.
4. Adding any workstations to the NMR Centre wired network is strictly prohibited.
5. Any files stored locally on any of the workstations can be removed without notice as part of the maintenance and troubleshooting.
6. No open liquids are allowed in proximity to any of the workstations.

Spectrometer Operation Guidelines

1. Modifications to spectrometer setup, software and hardware, are prohibited, unless explicitly instructed by facility staff.
2. Rearrangement of any spectrometer parts or accessories is prohibited, unless explicitly instructed by facility staff.
3. All training is available on request and subject to staff availability.
4. Use of compromised NMR tubes is strictly prohibited.
5. Use of spectrometer outside of recommended safety and power limits is prohibited. This includes but not limited to:
   1. Calibrated pulse widths and power levels listed in probe file.
   2. Posted limitations to probe maximum allowed high power pulses or spinlock fields in power levels or durations.
   3. Posted limitations on amplifier or probe duty cycles.
   4. Running known “bad” samples, leads to excessive shims heating.
6. Using spectrometers and probe outside of recommended temperature range is prohibited.
7. Any high-risk experiments have to be explicitly cleared by facility manager and can only be performed by experienced users.
   1. High risk constitutes but not limited to: long mixing times CPMG experiments, very high or very low temperatures, higher than atmospheric pressure experiments, X-band decoupling experiments.
8. Spectrometer must be operated with high level of attention to magnet safety, this includes but not limited to:
   1. Magnet stability;
   2. Posted magnet safety lines and magnetic objects;
   3. Excessive sample heating;
   4. Excessive shim power usage; and
   5. Cryogen safety, cryogen boil off management.
9. NMR Centre management maintains the right to postpone or deny any experiment due to safety concerns.

Policy Violations

NMR Centre staff and users are to be treated with respect at all times. All NMR Centre staff and U of T employees agree to abide by U of T's Policies and Guidelines.

Likewise, all student users must abide by the University of Toronto Code of Student Conduct.

Instances of rude or inappropriate behaviour will lead to a written warning from the facility management. Continued inappropriate behaviour will lead to permanent loss of access to the NMR Centre.

Make your Reservation

Before using the NMR Centre, please read, sign, and return the NMR Centre User Agreement form. We accept reservations via BookitLab. Please login to make your reservation. 

Please note that VnmrS and Inova correspond to the console type; please check our Instruments section for a full list of available probes.

Sample Submissions

Please fill out the sample submission form below. Download the completed form and submit your request via email. 

To submit your form by mail, please send to:

University of Toronto Mississauga
3359 Mississauga Rd.
DV-2051-B, NMR Centre
Mississauga, Ontario | L5L 1C6

For Internal Users

• Trained users can set up their own routine samples/experiments on the Bruker 400 instrument at any time.
• If you are a user who wishes to use special samples (including but not limited to non-standard sample tubes) or perform experiments that are not available through the Bruker 400 automation system, please contact the NMR Facility staff. 

For External Users

• If you are a new or prospective user, please contact the NMR Facility staff before submitting samples.
• For routine samples or experiments, please complete and download the submission form. Send your completed form to the NMR Facility staff. If you need a hard copy, please bring the printed form with you and leave it with your samples. Our team will add our notes to the form, if applicable, and will place it in the locker along with your samples.
• For non-standard requests, please contact us before submitting your samples.

High Field Spectrometers

To book the high field spectrometers, please email the NMR Centre manager and copy your supervisor on the email. Spectrometers are booked only upon explicit confirmation from the supervisor.

Only specially trained users are allowed to book time on the 500 MHz and the 600 MHz instruments. 
We offer data acquisition on these spectrometers as a service.

Here are some of the common experiments we offer:

• VT experiments between -80 deg.C and +100 deg.C (probe dependent)
• High sensitivity characterizations data (1Ds and 2Ds) for small sample quantities
• DOSY experiments
• HOESY experiments
• Ligand binding experiments
• Protein assignment data sets

Internal users can be trained to perform various experiments on their own. Spectrometer availability varies. Please contact us for more information.

• The Centre for Spectroscopic Investigation of Complex Organic Molecules and Polymers (CSICOMP) | Chemistry, St. George Campus
• NMR Centre at Medical Sciences | Biochemistry, St. George Campus
• NMR Centre at UHN Research | MaRS Building
• Environmental NMR Centre | U of T Scarborough
• Traces Lab | U of T Scarborough
• NMR Centre | University of Guelph 
• NMR Facility | McMaster University