Monoisotopic Mass Calculation:
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The monoisotopic mass is the sum of the masses of the atoms in a molecule using the most abundant isotope of each element. It's particularly important in mass spectrometry for identifying molecular ions.
The calculator uses the following principle:
Where:
Explanation: The calculator parses the chemical formula, identifies each element and its count, then sums the masses of the lightest isotopes.
Details: Monoisotopic mass is crucial for interpreting mass spectra, as it corresponds to the most intense peak in the isotopic cluster for small molecules.
Tips: Enter chemical formula using standard notation (e.g., C6H12O6 for glucose). Case matters - element symbols start with uppercase letters.
Q1: What's the difference between monoisotopic and average mass?
A: Monoisotopic uses the lightest isotope of each element, while average mass considers natural isotopic abundance.
Q2: Why is monoisotopic mass important in MS?
A: For small molecules, the monoisotopic peak is typically the most intense, making it the reference point for mass measurements.
Q3: What elements are supported by this calculator?
A: H, C, N, O, P, S, F, Cl, Br, I. Others can be added by modifying the isotope table.
Q4: How accurate is this calculation?
A: It uses standard monoisotopic masses with 6 decimal places, suitable for most MS applications.
Q5: Can I use this for peptides/proteins?
A: While it works, specialized tools that consider amino acid residues might be more convenient for biomolecules.