New Software to Automate, Detect and Measure Multiple Target Chemicals in Complex GC/MS Data Sets

The TargetView™ Software package from ALMSCO International has been designed to automate and improve detection and measurement of multiple target chemicals in complex GC/MS data sets. The software will benefit GC/MS users in a range of important fields, including environmental monitoring, food/flavour/fragrance profiling, forensic science and testing chemical emissions, from consumer goods.

While current compound identification methodology is often time consuming and prone to error (false positives/ negatives) even in expert hands, TargetView provides a simpler and more accurate way of identifying which target compounds are present in a sample. In addition to this it provides reliable peak area information to complement and support quantification by conventional GC/MS data handling packages. TargetView can also be used to identify the total number of compounds present in a sample (knowns and unknowns) by library searching.

Unlike alternative complex GC/MS software platforms, TargetView does not require a significant investment of time to become proficient. The interface and reporting format are easy to use with few parameters requiring manual setting and no need for in-depth knowledge in either deconvolution or chemometrics. Furthermore, the software package can process all common GC/MS data formats, thereby lending itself to simple integration with existing laboratory procedures. TargetView also works with chromatograms of worst-case complexity; e.g. with high numbers of analytes of varying concentrations and with high degrees of compound co-elution.

The new software package compares clean, deconvoluted mass spectral data against EI mass spectra in existing libraries (commercial or proprietary) using a sophisticated chemometric process. It can automatically detect hundreds of target compounds in one run and immediately generates a simple customisable report including details such as retention times, quantification ions, peak area values and match coefficients as required.

TargetView is the latest addition to ALMSCO International’s product portfolio, which also includes the bench-top time-of-flight (TOF) mass spectrometer, BenchTOF-dx™. BenchTOF-dx offers superior full-scan sensitivity at typical GC-quad SIM levels. It also combines speed and resolution with uncompromised spectral quality even at trace concentrations.

BenchTOF-dx readily integrates with existing gas chromatographs (GCs) and associated data handling / control packages, enabling analysts to screen samples for trace target compounds at much lower levels on a routine basis and with a negligible learning curve.