Mass spectrometry: does anyone know what could be this compound?

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In summary, the conversation discusses results from mass spectrometry analysis of liquid samples and the identification of two compounds with molecular masses of 167.06 and 195.06. The suggested formulas for the first compound are C2H11N4O3Si or C3H11N4O2S, with the second formula having a higher probability. The discussion also mentions the possibility of the compounds being derived from tricyclic aldehydes or naphtalene compounds. The conversation ends with a request for pictures of the mass spectra and a report on the most abundant components.
  • #1
pippobaudo
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Dear all,
I got some results from mass spectrometry analysis of liquid samples (I am not really familiar with mass spectrometry). And I was wondering what could it be a compound with molecular mass of 167.06 and suggested formulas from the software: C2H11N4O3Si or C3H11N4O2S, the second gives a i-Fit (norm) of 0.0 so maybe is the most probable.

Does anyone know what kind of compound it is? could it be derived from tricyclic aldehydes ?

Then I have another compound with molecular weight of 195.06 and most probable formula C5H15O5Ca. Could this be derived for instance from naphtalene compounds ?

Thank you soo much,
 
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  • #2
Pictures of the mass spectra would help.
 
  • #3
Mass spectrum

Thanks for your reply,

you are perfectly right, in the attached files you can find the spectrum and a small report on the most abundant components.

Hope this will help.

Best wishes.
 

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  • Mass spectra.pdf
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1. What is mass spectrometry?

Mass spectrometry is an analytical technique used to determine the molecular weight and chemical structure of a compound. It works by ionizing a sample, separating the ions based on their mass-to-charge ratio, and detecting them to produce a mass spectrum.

2. How does mass spectrometry identify compounds?

Mass spectrometry identifies compounds by comparing the mass spectrum of an unknown sample to a database of known mass spectra. Each compound has a unique mass spectrum, allowing for accurate identification.

3. What are the advantages of using mass spectrometry?

Mass spectrometry offers several advantages, including high sensitivity, accuracy, and the ability to analyze a wide range of compounds. It also requires minimal sample preparation and can provide information on the molecular structure of a compound.

4. Can mass spectrometry determine the concentration of a compound?

Yes, mass spectrometry can determine the concentration of a compound by measuring the intensity of the ions in the mass spectrum. This intensity is proportional to the concentration of the compound in the sample.

5. What factors can affect the accuracy of mass spectrometry results?

The accuracy of mass spectrometry results can be affected by several factors, including sample purity, instrument calibration, and the presence of interfering compounds. It is important to carefully prepare and analyze the sample to ensure accurate results.

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