It should be noted that in parallel DL-based approaches are being investigated for identifying protein sequences from mass spectra in proteomics studies . A noteworthy effort, DeepNovo, consists of an end-to-end DL architecture for de novo peptide sequencing from mass spectra , that is a direct reconstruction of the peptide sequence from the mass spectra data. Structure elucidation of small molecules though is perceived as a more challenging problem due to the stochastic nature of the fragmentation process. On top of that, the structure of small molecules has a graph-like representation as opposed to the linear nature of a peptide sequence. Existing approaches essentially attempt to retrieve molecules from structure databases that have a spectrum similar to the query spectrum. This method though cannot identify novel molecules, that is molecules whose structure currently remains unknown and therefore they do not exist in chemical databases.