Elemental Analysisグループ

Elemental Analysis pluginは分子の元素構成に関する以下の値を計算・表示します。本製品はMarvinライセンスでご利用頂けます。

• Mass: molecular mass

• Exact mass: molecular mass calculated from the most frequent natural isotopes of the elements

• Formula: chemical formula of the molecule

• Isotope formula: chemical formula of the molecule listing isotopes separately

• Dot-disconnected formula: chemical formula of the molecule separating fragment formulas by dots.

• Composition: elemental composition (w/w %)

• Isotope composition: elemental composition listing isotopes separately (w/w %)

• Atom count: number of atoms in the molecule.