Raw mass spectrometric data were processed with MaxQuant (version. 1.4.3.19, http://www.maxquant.org) (Cox & Mann, 2008) and imported into the MaxQB database (Schaab et al, 2012).
MCR performed pilot mass spectrometric data analyses, in addition to processing all of the mass spectrometry samples.
This technique, which collects mass spectrometric data from the surface of specimens, has previously been applied to a variety of animal fossils to identify the presence of fossil melanosomes, including bird feathers, amphibians, mammals and squid ink.
Analytical data of these transformation products, e.g., electrochemical potentials, UV/VIS absorbance maxima, and mass spectrometric data, are tabulated.
The comparison of the mass spectrometric data with sequence databases results in the identification of the protein.
The chemical structures of the compounds were proved by IR, 1H NMR, 13C-NMR and Mass spectrometric data.
Most of the metabolomics data is recorded as unassigned peaks of different intensity on different retention times, masses or mass fragments (mass spectrometric data) or chemical shifts (NMR data).
The identity and purity was confirmed by analysis of spectroscopic and mass spectrometric data and by comparing the melting point with literature values [20].
However, neither general methodology for the identification nor extensive databases of metabolites with multistage mass spectrometric data are available at the moment.
Full-scan mass spectrometric data were used to select ions with potential for designating the analytes and their respective isotopically labeled analogs in quantitative analysis protocols.
