Despite substantial advancements in small molecule mass spectrometry (MS) in recent decades, the field faces a persistent challenge. Although an untargeted MS study can acquire thousands to millions of MS/MS spectra, current state-of-the-art methods are only able to confidently annotate around 5 % to 10 % of these spectra on average. This limitation underscores a significant knowledge gap, constraining our capacity to accurately determine the molecular structures present in such studies and, by extension, diminishing the potential impact of numerous biological investigations.