TAMI Molecule Identifier Software for the Provision of Elemental Formulae with your Single Quadrupole GC-MS

Tal Alon, Tel Aviv University, Tel Aviv, Israel (polaris@post.tau.ac.il)
Aviv Amirav, Tel Aviv University, Tel Aviv, Israel

The major strength of GC-MS in sample identification is its ability to perform library search for identification with names and structures. However, library identification cannot always be trusted and many compounds are not included in the library. Thus, we wish to be able to confirm or reject library identification and provide sample elemental formula from unit resolution GC-MS data.             

We developed the Tal-Aviv Molecule Identifier (TAMI) software that improves the measured mass accuracy and inverts it, together with the molecular ion's isotopomeric pattern, into an elemental formula. TAMI also automatically confirms or rejects library identification (NIST), and in a case of rejection it provides the compound's elemental formula via a single click. 

For every independent analysis, TAMI provides a table of elemental formulae with declining order of matching to the experimental data, and presents additional statistical information. It also includes a smart analysis assistant that helps you in more complex cases, making sure the analysis conditions are optimal.

TAMI Improves the mass accuracy of quadrupole mass analyzers to <50 ppm, and in combination with isotope abundance analysis upgrades these unit resolution mass spectrometers to be similar in sample identification capability to costly accurate mass GC-TOF-MS. 

TAMI is compatible with several data analysis software such as Agilent's Chemstation and MassHunter and Thermo's XCalibur and Chromeleon, and analyzes both profile and standard centroid data files. TAMI can also serve to analyze single quadrupole LC-MS data files such as of Advion CMS. You are invited to bring your files for a demonstration analysis.