Mass Spectrometry is a powerful analytical technique that is used to determine the molecular weight and generate fragment ion spectrum of a compound for identification/confirmation using tandem mass spectrometry. This fragmentation pattern offers a unique molecular signature of organic compounds. As a result, a web-based library of the MS/MS spectrum provides an important tool for the identification of previously characterized natural products.
The general approaches for most common search are
General Search: by Name, and CAS Number of compounds.
Mass Spectrometry-Based Search: by Molecular weight, chemical formula, MS/MS ion search or product ion search for single compounds, and advanced search included multiple search or LC-MS/MS data-based search.