We have developed a novel method and software for improved sample identification which is based on isotope abundance analysis (IAA). Our IAA software (named Tal-Aviv) automatically inverts the experimentally obtained isotope abundances into elemental formulas information. More importantly, our IAA method and software among other things, links with the NIST MS library and automatically confirms or rejects its identification. In case of a confirmation, sample identification is unambiguous since the confirmation is done by an independent set of data and method. In the case of a rejection, the IAA software independently provides a list of elemental formulas with declining order of matching to the experimental data, in similarity to costly accurate mass measurements.

IAA is ideally applicable to GC-MS (and EI-LC-MS) with supersonic molecular beams (SMB) since it requires having a trustworthy and high abundance true molecular ion. Accordingly, the combination of IAA with Supersonic GC-MS provides ultimate confidence level in sample identification for an extended range of compounds.

However, the IAA software is also highly useful in combination with standard quadrupole based GC-MS such as the Agilent 5972/3/5 and you are invited to test it.