automated 400

Campus User Training Program—

The Automated NMR Spectrometer

Policy of use:

  • Use only standard-length 7 inches NMR tube with well shaped cap.
  • Label your sample tube with marker pen.
  • During day time rush-hours ( 9am-5 pm), max. total time for each batch of submission is ONE hour.
    • e.g. One sample for an hour C13 run, or ~ 6 samples for routine proton runs. Wait at least 30 minutes before you submit another batch.
  • During non-prime time ( 5pm — next day 9am), max. total time for each batch of samples is SEVEN hours. For dilute C-13 NMR (e.g. 1 mg or less ), use the other two 400MHz spectrometers instead.
  • Samples that have been completed their measurements could be removed from their holders every day (except weekends, between 10-11 am) or when there is no more vacant holders available.

Instruction:

  1. At the Sample submission PC, click the red icon “Change User “:
    • Enter your last name (user ID) and password.
    • Your data will be created inside a folder with your User ID.
  2. Check the number of available holder .
  3. Install your NMR tube into a blue spinner using the proper depth gauge.
  4. Ensure no credit card and loose metal objects with you before you approach the magnet with your sample.
  5. Ensure the auto-sampler magazine is not moving while you are loading NMR tube into the holder.
  6. Return to the PC submission window.
  7. Double click the number of Holder that has your sample.
  8. Follow along the row of icons and select the desirable options and mandatory Orig/Title.

    Namely, with the mouse, point and pull down the options to define all required information.:
    File name will be default as $holder number– $User– $date; change it if you prefer.
    Orig/Title must be entered (otherwise the submission will fail).

    IF you want to carry out additional experiments with the same sample, Click “Add”. and repeat step 8.

  9. High light the sample holder icon (not the sub-icons), click submit for all the experiments of the same sample.
  10. Additional samples, repeat steps 2 to 9 inclusively.
  11. Cancellation or modified your submitted samples is only feasible if your sample is still in the que.
    • Log on again and click Cancel, Edit and/or Delete as needed.
    • Resubmit your sample again.

o Log off by clicking Change User and click LOG-ICONNMR.

Data Processing:
  • Data must be transferred via FTP either to your own PC or to the NMR workstations for processing.
  • The spectrometer data server is “CHEM400.umd.edu” . log on ID is “share” for all automation users (note: not your User ID).
  • On the workstations, start the FTP program and click “chem400.umd.edu”.
    • You will automatically log on to the spectrometer server, open “double clicks” the path: data >> your ID >> nmr.
    • Then, drag the new NMR data to the local Shared Folder.
    • Refer to data processing in the Training Program at UMCP for further details.