| MSn | Multiple stage mass spectrometry |
| CASMI | Critical Assessment of Small Molecule Identification |
| CCS | Collisional cross-section |
| CFM-ID | Competitive Fragmentation Modeling for Metabolite Identification |
| FAHFAs | Fatty Acid ester of Hydroxyl Fatty Acids |
| Fragmentation tree | Mass spectral fragmentation pathway of a compound |
| GNPS | Global Natural Products Social molecular networking |
| HMDB | Human Metabolome Database |
| IM | Ion mobility |
| InChIKey | Hash key or short unique structure code |
| LipidBlast | In silico generated database for lipid identification |
| MassBank | Mass spectral database |
| MetaboBASE | Mass spectral library developed by Bruker |
| MoNA | MassBank of North America |
| NIST | National Institute of Standards and Technology |
| NMR | Nuclear Magnetic Resonance |
| ReSpect | RIKEN MSn spectral database for phytochemicals |
| SPLASH | Hashed code or unique identifier for mass spectra |