massXpert A handy mass spectrometry software.
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massXpert Tags

viewer view chemistry mass spectrometry assay spectrometry mass-spectrometry data mass spectrometry spectrometry search mass spectrometry system spectrometry based proteomics Mass Spectrometry Imaging analyze mass spectrometry data linear polymer polymer chemistry de nitions

massXpert Description

massXpert is a handy and easy to use mass spectrometry application especially designed to help you with your polymer sequences. For the program to be able to cope with a variety of possibly very di erent polymers, it had to be written using some abstraction layer in between the mass calculations engine and the mere description of the polymer sequence. This ab-straction layer is implemented with the help of \polymer chemistry de nitions", which are les describing precisely how a given polymer type should behave in the program and what its constitutive entities are. The way polymer chemistry de nitions are detailed by the user is the subject of a chapter of this book. However, in order to give a quick overview, here is a simple situation: a user is working on two polymer sequences, one of chemistry type \protein" and another one of chemistry type \dna". The protein sequence reads\ATGC", and the dna sequence reads\CGTA". Now imagine that the user wants to compute the mass of these sequences. How will massXpert know what formula (hence mass) each monomer code corresponds to? There must be a way to inform massXpert that one of the sequences is a protein while the other is a DNA oligonucleotide: this is done upon creation of a polymer se-quence; the programs asks of what chemistry type the sequence to be created is. Once this \chemical parentage" has been de ned for each sequence, massXpert will know how to handle both the graphical display of each sequence and the calculations for each sequence. Main features: highly configurable sequence editor using user-defined monomer vignettes definition of atoms with any number of isotopic mass/abundance pairs definition of brand new polymer chemistries polymer sequence cleavage using user-defined flexible cleavage agents gas-phase fragmentation of oligomers using user-defined flexible fragmentation rules powerful mass search in a polymer sequence with associated ion charge values ranges powerful Copy/Paste paradigm allowing the pasted polymer sequence to be purified calculation of isotopic pattern of any chemical starting from a formula

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