Ernst-Georg Schmid makes a comp based on a mass spectrometry database:
As said in the introduction, mass spectrometry is one, if not the tool to identify unknown compounds, to quantify known compounds, and to determine the structure of molecules. But it is a lot of work, and you need reference spectra to compare against.
So, there are curated databases of validated spectra available, like MassBank Japan, MassBank Europe and the NIST mass spectral libraries. Laboratories might also want to store their own libraries for future use.
However, such databases often come in their own formats and with their own retrieval software. If you need to efficiently connect spectra to other data, e.g. chemical structures or genomic data, this calls for central management and a common API.
Read on to see the comparison of the pgvector extension versus built-in functionality with ARRAY
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