Use of ion mobility mass spectrometry and a collision cross-section algorithm to study an organometallic ruthenium anticancer complex and its adducts with a DNA oligonucleotide

• Published in: Rapid communications in mass spectrometry 2009-11, Vol.23 (22), p.3563-3569
• Main Authors: Williams, Jonathan P., Lough, Julie Ann, Campuzano, Iain, Richardson, Keith, Sadler, Peter J.
• Format: Article
• Language: English
• Subjects: Algorithms; Antineoplastic Agents - chemistry; DNA Adducts - chemistry; Mass Spectrometry - instrumentation; Mass Spectrometry - methods; Oligonucleotides - chemistry; Organometallic Compounds - chemistry; Ruthenium; Ruthenium Compounds - chemistry
• ISSN: 0951-4198; 1097-0231; 1097-0231
• DOI: 10.1002/rcm.4285

We report the development of an enhanced algorithm for the calculation of collision cross‐sections in combination with Travelling‐Wave ion mobility mass spectrometry technology and its optimisation and evaluation through the analysis of an organoruthenium anticancer complex [(η6‐biphenyl)RuII(en)Cl]+. Excellent agreement was obtained between the experimentally determined and theoretically determined collision cross‐sections of the complex and its major product ion formed via collision‐induced dissociation. Collision cross‐sections were also experimentally determined for adducts of this ruthenium complex with the single‐stranded oligonucleotide hexamer d(CACGTG). Ion mobility tandem mass spectrometry measurements have allowed the binding sites for ruthenium on the oligonucleotide to be determined. Copyright © 2009 John Wiley & Sons, Ltd.