Mass Spectrum isotope pattern calculator

Using this form you can calculate the mass spectrum isotope pattern for a compound or complex. Simply type the formula in the box below, enter the charge on the parent ion (usually 1) then press return.

Notes on entering formulae:

• You must enter valid, case sensitive, chemical symbols for the elements: eg KMnO4 not kmno4
• Do not include punctuation such as '.', ',', '=' etc in the formula.
• You may include pre-defined ligands (Me, Et, Pr, Bu, Ph, Cp etc) in the formula, so for Sn(CH₃)₄ you can enter SnMe4, Sn(Me)4, Sn(CH3)4, SnC4H12 etc.
  Toggle ligand abbreviations
  • Me C1H3
  • Et C2H5
  • Pr C3H7
  • Pri C3H7
  • Bu C4H9
  • Bui C4H9
  • Bus C4H9
  • But C4H9
  • Pent C5H11
  • Hex C6H13
  • Oct C8H17
  • Dec C10H21
  • Cp C5H5
  • Ph C6H5
  • Pf C6F5
  • Bn C7H7
  • Bz C7H5O1
  • Py C5H5N1
  • Pfv C2F3
  • Cdfv C2Cl1F2
  • Tfp C3F3
  • Pfp C3F5
  • Vy C2H3
  • Vin C2H3
  • Cy C6H11
  • Tf C1F3S1O2
  • Tfsi C2F6NO4S2
  • Tms C3H9Si1
  • Dmpe C5H14P2
  • Depe C10H24P2
  • Dppe C26H24P2
  • Dppp C27H26P2
  • Hfip C3F7
  • Pfib C4F9
  • Phen C12H8N2
  • Acac C5H7O2
• You may include any number of matched brackets, for example Cp2TiF2, [Cp2TiF2], [(Cp)2TiF2] and (C5H5)2Ti(F)2 all refer to the same compound.