Accurate Mass Measurement

Sample Submission

  • Step 1: Prepare the sample according to sample prep guidelines provided below.
  • Step 2: Run the sample on walk-up LC-MS to ensure purity and ionizability.
  • Step 3: Drop off the sample in the Mass Spec Facility fridge in the designated box. Make sure you record the position of the vial within the box.
  • Step 4: Fill out the Accurate Mass Measurement request form here.
  • Step 5: Retrieve the data on PennBox.

General Information

  • All accurate mass measurements are done by staff.
  • Turnaround time is 7 business days.
  • Current fees are posted on the website.
  • Samples should be dropped off in the Mass Spec Facility fridge (room 225, Chem 73 building).
  • Data is uploaded to PennBox cloud service.

Reporting Criteria

  • A report is generated if the observed accurate mass is within 3 ppm of the calculated exact mass. If higher mass accuracy is needed, contact the director.

Sample Preparation

  • Appearance: Samples should be submitted as a solid/particulate free solution. Samples should be filtered if necessary to remove particulates.
  • Vials: Samples should be submitted in regular (2 mL) LC-MS vials.
  • Acceptable Solvents: Water, Acetonitrile, Isopropanol, Methanol.
  • Unacceptable solvents: Chloroform, Dichloromethane, Toluene, Ethyl Acetate, Acetone, Dimethylsulfoxide, Dimethylformamide, Ether, THF.
  • NOTE: Samples in unacceptable solvents can be diluted with an acceptable solvent (at least 10 times).
  • Volume: 0.5 mL of sample is required for the experiment.
  • Concentration: a concentration of 50 uM is optimal (0.025 mg/mL for a 500 g/mol compound). Please note that samples must be at least 70% pure.

Example Report

The smart formula report is uploaded to PennBox. Additional information may be provided in the form of magnified spectra or comments as needed. Raw data can be provided in the .mzML format upon request.