A new MTS Search Engine has been recently optimised to identify volatile compounds such as pesticides, pollutants and nitrosamines.
The mass to structure or MTS Search Engine is a database containing theoretical molecular mass information for about 20,000 compounds and it was initially developed for identification of compounds in atmospheric pressure ionization (API)-LC-MS. The database can be used for forensic studies and allows determination of street drugs, doping agents in urine samples and determination of pesticides in food. So far, it has been used exclusively for non-volatile analytes determined by LC-MS.
Wenta Liao and William Draper from USA now extend the identification to volatile and semi-volatile compounds using chemical ionization GC-MS. According to the authors, this new MTS Search Engine has the advantage to identify a wide variety of pesticides, nitrosamines and other toxic substances, as well as halogenated and non-halogenated structures, which could not be identified before.
To read more about this research, take a look at the full article by clicking the link below. This paper will be free to read until January 24th.
Identification of volatile and semivolatile compounds in chemical ionization GC-MS using a Mass-To-Structure (MTS) Search Engine with integral isotope pattern ranking
Wenta Liao and William M. Draper
Analyst, 2013, Advance Article