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At the application layer, support for the execution of the MoSys application [28], matching tryptic peptide fragmentation mass spectra data against the ProMEX database [11], has been implemented.
The identification of volatiles was carried out by comparing their retention indices, mass spectra data and odour notes with those of the reference odorants, literature data or with the data bank (NIST/NB575K).
The essential oil compounds of A. herba-alba were identified by comparing the mass spectra data with spectra available from the Wiley 275 mass spectra libraries (software, D.03.00).
Coupling and polymerization of phenolic products formed was observed in all reactions without ascorbic acid and led to numerous small peaks eluting late from the HPLC column with unincisive UV vis and mass spectra (data not shown).
A non-redundant protein sequence database was searched directly with tandem mass spectra data using the computer program, SEQUEST [32].
The data extraction of raw mass spectra data files yielded information that was loaded into a relational database and manipulated without resorting to BLOB manipulation.
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The mass spectrum data of NEDD8 substrates screening in the previous study showed that PCNA might be a substrate of NEDD8 (Xirodimas et al., 2008; Coleman et al., 2017).
In addition, SpecAlign [11] is a well-known software package used to handle mass spectrum data.
In fact, while processing the mass spectrum data, we substituted the scale of time of flight for the scale of m/z values.
There are many studies that have described preprocessing of mass spectrum data [6], [8], [9], [10], [11], [12], [13] and have explored their approach's influence on the raw data.
A mass spectrum data sample includes a sequence of mass/charge (m/z) ratios.
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