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. 2016 Dec 15;6(4):46. doi: 10.3390/metabo6040046

Figure 5.

Figure 5

Dereplication and identification strategy using Liquid Chromatography Mass Spectrometry: (A) Reverse Phase ESI+ Total Ion Chromatogram with overlaid Extracted Molecular Features of Canola Extract; (B) Extracted Ion Chromatogram of the molecular formula corresponding to the plant hormone methyl jasmonate with inlaid Find-by-Formula Spectrum showing observed and predicted isotopic abundance for the feature at 9.880–9.965 min; (C) Product Ion spectra of methyl jasmonate using collision voltage of 20.0 eV; (D) Spectral match of methyl jasmonate MS/MS spectra to the METLIN Database allowing Putative identification.