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It also exploits MS/MS databases such as MassBank (26,296 MS/MS spectra covering 3127 authentic compound structures) and NIST14 (234,284 MS/MS spectra covering 9344 authentic compound structures) for comprehensive metabolome analysis [3].
The identification of the primary product by EAT37246 recombinant protein to L-dopa was through systematic elimination of possible decarboxylation product or deamination product and analysis of NaBH4 treated reaction mixtures in comparison with the predicted authentic compound as described in results section.
Retention time and MS spectrum of 2-methylbutyric acid corresponded to those of its authentic compound.
The unknown peak 5 was identified as a 2-methylpropyl N- naphthalen-1-yl) carbamate (Fig. 7f, l) by direct comparisoN- naphthalen-1-yl LC–MS data to those of the purchased autheN- naphthalen-1-yl. 7g, m).
Spike solutions were prepared by combining 0.25 mL of each of the authentic compound solutions with 0.5 mL of a solution containing 1.0 M NaOH and 100 mM EDTA.
However, the peak of its decomposed compound, which was finally identified as 3,4-ethylenedioxy N-methylamphetamine (3,4-EDMA, Fig. 1b) by direct comparison of the GC MS data to those of the purchased authentic compound (Fig. 10g), was detected (Fig. 10e, f).
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The identity of the labelled compounds was confirmed by co-injection with the authentic compounds on HPLC.
Compound identification was based on the retention time values and reported literature for authentic compounds (Kalachaveedu et al. 2017).
However, because of the unavailability of authentic compounds, some of the peaks could only be tentatively assigned.
A method for the preferential detection of crocetane over phytane, its more abundant isomer, was refined using authentic compounds.
In the present study, the compounds in vinegar were identified using their mass spectra, RI, authentic compounds, and were compared with respect to their relatively quantitative characteristics.
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