Mass spectrometry analysis in Teaching Labs are provided by the Mass Spectrometry Service. Samples are submitted by submitting a sample vial containing a small quantity of material and completing a submission form which is available via the Submission Hub.

A small sample of pure compound which is free from solvent and other contaminants should be placed in a mass spec sample vial. Typically 0.5-1 mg of sample should be provided in the vial. It is not nescessary to weigh the sample. For solid samples one crystal is sufficient and for liquid samples one pipette drop is adequate.

A sample vial label will need to be attached to the submission vial. Numbererd stickers are provided at the submission point and the next submission number should be used.

Information on completing the sections of the mass spectrometry form are provided below.

Two services are provided:

• Mass spectrometry measurement only

• Chromatography with mass spectrometry detection

Sample vial stickers are provided at the sample submission point. Use the sticker with the next available number and attach this to the vial. Ensure the correct number is input into the submission form.

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Details of one or more solvents in which your sample is soluble need to be provided. Solvent will be added to the sample vial by the service, and a small quantity of the solution will be injected into the mass spectrometer in order to run the analysis.

Only certain solvents are suitable for use with mass spectrometry. In order of preference these are:

• Ethanol

• Methanol

• Acetonitrile

• Water

• Ethyl acetate

• Acetone

• Isopropanol

• Cyclohexane

• Hexane

• Toluene

• Diethyl ether

• Dichloromethane

• Chloroform

Please ensure that your sample is soluble in the indicated solvent (at least 1 mg per mL) prior to submission.

Solvents which are not suitable include dimethylsulfoxide (DMSO) and N,N-dimethylformamide (DMF).

In general solvents want to be highly volatile and of high purity, particularly free from any salts. For ESI, solvents need to be polar to aid the formation of ions.

Mass spectrometry

Choose the appropriate ionisation method required for your sample. See the ionisation methods pages for guidance with method selection.

Chromatography and mass spectrometry

Choose the appropriate ionisation method required for your sample. See the tandem methods pages for guidance with method selection.

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The monoisotopic mass is the 

This should be obtained by drawing the molecule in ChemDraw and using the analysis tool (View | Analysis).

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