Software solutions for mass spec

Thermo Fisher Scientific has introduced application-specific software for its LTQ Orbitrap, winner of the 2006 R&D 100 award and the editors' gold award at PITTCON 2006.

Based on the fast and highly sensitive LTQ XL linear ion trap, the LTQ Orbitrap hybrid mass spectrometer identifies more proteins with greater confidence than any other mass spectrometry system.

The high-quality data generated by the LTQ Orbitrap reduces false-positive rates (FPRs) compared with results obtained from other hybrids.

To make the most of this high-quality data, Thermo Scientific software leverages the accurate mass capabilities of the LTQ Orbitrap to achieve the following advantages for proteomics and pharmaceutical users:

• differential expression analysis: New SIEVE differential expression software provides label-free semi-quantitative differential expression analysis of proteins and peptides from the comparison of multiple LC/MS data sets. BioWorks software utilises accurate mass data from the analysis of iTRAQ-labeled peptides and the analysis of other labeling experiments such as SILAC.

• de novo sequence analysis: PEAKS software makes full use of the LTQ Orbitrap's accurate mass for definitive de novo sequencing. Featuring rapid automatic or manual de novo sequencing, PEAKS works with Thermo Scientific's Xcalibur RAW data files or from processed data generated using BioWorks software.

• metabolite identification: accurate mass full scan and MS/MS data applied in combination with MetWorks and Mass Frontier software enables fast, confident metabolite identification. MetWorks automated metabolite identification software dramatically simplifies and accelerates the processing and reporting of LC/MS analyses. The Mass Frontier mass spectral data tool offers powerful insight into compound structures with new predictive fragmentation modules. In addition, component detection algorithms and spectral tree extractions allow for the user-defined creation of databases of target compounds.

Thermo Fisher Scientific

Tel: 0419 403 547

www.thermo.com