What molecular formula can you deduce from a mass spectrometry of 156 m/z. And how do you get that formula? Steps on how to get the formula is much appreciated!
Thanks!
To deduce the molecular formula from a mass spectrometry measurement, you need to consider the value of the m/z (mass-to-charge ratio) and use information about the atomic masses of elements. Here's a step-by-step process to determine the molecular formula:
Step 1: Determine the molecular ion peak
Look for the peak corresponding to the largest m/z value, which represents the molecular ion peak. In this case, the m/z is 156.
Step 2: Calculate the molecular mass
Since the m/z value represents the mass-to-charge ratio, you need to determine the molecular mass. To do this, multiply the m/z value by the charge of the ion. In this case, assuming the ion has a charge of 1, the molecular mass would also be 156.
Step 3: Identify possible formulas
Taking into account the molecular mass (156) and all the possible elements in organic compounds (C, H, O, N, S, etc.), generate a list of possible molecular formulas that have a mass close to 156. For example, C10H18O2, C9H12N2O2, etc.
Step 4: Consider additional information
If any additional information is given, such as the presence of specific functional groups or constraints, incorporate this information into the molecular formula search. This can help narrow down the possibilities.
Step 5: Analyze the elemental composition
Examine the probable formulas and assess their elemental composition. Calculate the exact number of each element present in each formula. Compare these results with any additional information provided or any specific molecular requirements.
Step 6: Validate the formula
Consider other experimental information or spectroscopic data available, such as infrared (IR), nuclear magnetic resonance (NMR), or elemental analysis, to validate the formula. These additional techniques can provide even more evidence to support the identification of the correct molecular formula.
By following these steps, you can deduce the possible molecular formula based on the mass spectrometry data. It is important to note that this process is not always straightforward and may require additional confirmatory experiments or expertise in interpreting the data.