Thermo Fisher Scientific Inc, Waltham, Mass, has introduced ToxID software for liquid chromatography coupled with mass spectrometry (LC/MS) analyses.

The software uses compound retention time and MS/MS spectra for compound identification. Pre-defined LC-MS/MS instrument and sample preparation methods are provided to handle several classes of compounds for general unknown screening analysis. The product’s freeware and its compound library are customizable and expandable.
 
ToxID works with the company’s Xcalibur data system and LCQUAN quantitation software for integrated operation. Sample reports are generated automatically, and the software is compatible with the company’s ion trap mass spectrometers for qualitative power in compound identification for samples or with its triple quadrupole mass spectrometers for simultaneous quantitative and qualitative compound confirmation.