The identification of the chemical compounds that are present in a sample of chemical matter is a fundamental task in chemical analysis with applications in multiple domains. The field of metabolomics, for example, seeks to identify the chemical molecules that are present in a biological sample. In humans, the metabolome, that is the set of all chemical molecules that can be found in human tissues, is a great source for biomarker discovery as it reflects changes at a genetic, proteomic or environmental level . Additionally, mapping the human metabolome will lead to a better understanding of human physiology and disease etiology and pathology which is essential for the identification of new therapeutic targets for developing new treatments. There increasing interest in mapping the metabolome extends to other organisms as well, such as plants which have been a great source of bioactive compounds for multiple products including drugs and supplements . The identification of chemical compounds is also critical in product development such as in the production of pharmaceuticals and agrochemicals. Structure elucidation practices are being used for quality control and detection of impurities as well as in safety studies for identifying potential metabolites that can be formed in the human body. Finally, structure elucidation practices are being employed in forensics analysis.