SPECTROSCOPY 55
“Sophisticated data processing and analysis algorithms deliver interpreted NMR and LC/MS results from a variety of diff erent instrument vendors in what is though to be the fi rst web-based NMR and LC/UV/MS review panel.”
analyses and assigns results, defi nes the sequence and features of known proteins and determines the identity of modifi ed forms. Users can edit assignments, annotate new peaks and compare experimental samples with a reference using visualisation and tabular tools.
In terms of intact proteins, BiopharmaLynx lets users defi ne deconvolution settings for known proteins and as generic for unknown proteins. It also automatically calculates percentages of each protein variant.
In an eff ort to simplify interaction with MS systems and increase laboratory productivity, the company also off ers MassLynx spectrometry software. With an intuitive interface and intelligent sample control, MassLynx is focused on delivering the versatility and fl exibility demanded by laboratories today. It achieves this via application managers that allow users to really focus the power of mass spectrometry on specifi c laboratory tasks.
Finally, Agilent deconvolution reporting software (DRS) for GC/MS is an application for target compound analyses that combines results from the Agilent MSD Productivity ChemStation, the US National Institute of Standards and Technology (NIST) Automated Mass Spectral Deconvolution and Identifi cation Software (AMDIS), and the NIST 2008 Mass Spectral Search Programme (NIST08) into one easy-to-read report. DRS works with any
Agilent RTL Database Library and can work with full-scan or SIM data.
DRS runs directly from MSD Productivity ChemStation data analysis or can be run automatically after data acquisition or in data reprocessing mode. T e MSD Productivity ChemStation identifi es targets by integrating extracted ions and comparing ion ratios to known ratios. Targets found are saved in a table for later use.
AMDIS deconvolutes the ChemStation data fi le. T ese ‘cleaned’ spectra (‘components’ as called in AMDIS) are compared against a user-constructed library. T is comparison uses full spectra (or SIM data) and is retention time (RT) independent. Identifi ed targets are saved in a table for later use and are also sent to NIST. NIST searches all spectra sent by AMDIS against the NIST >190,000 compound main library. T is is also a full spectrum search, but now against a diff erent library than used by AMDIS. T e user can choose to skip the NIST search in processing SIM data. AMDIS deconvoluted data can, optionally, be quantitated in the MSD Chemstation. Final report generation combines results from the three techniques described above.
Agilent says the software can take as little as one minute per sample of processing time, works especially well with dirty matrices, and is more thorough than standard quantifi cation and library search methods.
For more information ✔ at
www.scientistlive.com/eurolab
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