This tool allows to generate a list of molecular formula from an accurate mass

Specify the mass

Accurate mass experimental result:

Optional: Filter the result based on the molecular formula

MF range:

Allowed Molecular Formula range in the format Xn-mYo-p (ex. C1-10H1-15B2):

You may also use groups in the definition of the range: HAla0-10Gly0-10Pro0-10OH
You may even define your own group like: {C2H4}0-4{Ala}0-2
Example: Natural amino acids
NEW: Enter the charge ! You may now fixed a charge in the molecule (even multi-charge) in parenthesis. Example: Doubled charged

Unsaturation:

The number of unsaturations can be taken into account if only the following elements are allowed : H, C, O, N, F, Cl, Br, I. It is defined as ((2*n_{C} - n_{H} - n_{Cl}- n_{F} - n_{I} - n_{Br} + n_{N}) / 2) +1.
Limit the results by unsaturations:
Unsaturation allowed from: to
Allow only integer unsaturation values:

Mass range:

Reference values version:

Results:

Color by difference: <=0.0010<=0.01<=1.0

Number of results: .
Brute force iterations: .
Real iterations: .