“…In addition, these instruments also allow fragmentation of selected compounds, thanks to the presence of a quadrupole segment and a collision cell before the flight tube, to gain structural information. This configuration is usually sufficient to analyze different types of secondary metabolites: flavonoids and triterpenoids (Arbona et al, 2015;Böttcher et al, 2008), phenolics (Böttcher et al, 2009a), glucosinolates and related compounds (Böttcher et al, 2009b;Zandalinas et al, 2012), lipids (Zoeller et al, 2012), etc...Due to the high specificity of secondary metabolites and the little information available on them (mass spectra, fragmentation pattern, elution time, etc...), together with the poor cross-platform exchangeability of LC/MS data, make very often necessary their de novo identification using in-house built databases or matching the annotation (MS spectra and retention time) with pure standards. For these reasons, ensuring high quality spectral information is of key importance to facilitate mass spectra curation and interpretation (Figure 1).…”