[Psidev-ms-dev] Does mzML, WIFF, MGF, DTA, and pepXML contains "mono-isotopic mass weight Information"?

[Thaman C. <th...@ut...>]

Hi Experts,

 

I am somehow lost in the beginning phase of my first project in the 
Proteomics department. My main task: "Designing DATABASE" of 
various "FILE" formats existed in the Proteomics research (RAW, wiff, MGF, 
pepXML, dta). Till now main file 
formats are RAW, WIFF, MGF & DTA which are not in XML and XML based: pepXM. 
Obviously there is overlap in information in multiple different data 
file formats/experimental. Though analysis can be made from single file (experimental measurements) or by comparison between “sets of files”. But, what is missing? Understanding the re-occurring pattern in and between experiments.

Of course “Database” is needed in querying experiments/(files) with varied parameters. That’s why file based searching is not efficient to our answer our question. What kind of "search term" in an experiments? "Mono-isotopic mass". 

"Have we seen this mono isotopic mass before in other experiments is 
the main issue in our research"? I have started to work with RAW-> 
mzML (convert). I went through the documentation of mzML available in the HUPO 
trying to design relational schema from mzML schema manually. Though mzML is quite well documented I have confess not being clear. 

Questions

--------------

1) Where information like*"mono isotopic mass"* are 
recorded in the mzML file? Is it precursor charge attribute in the 
spectrum Element? Or am I missing something? 
2) Can I be sure that all RAW and mzML after conversion regardless of 
different vendors consists of "mono-isotpic mass" info? 

3) Further, I am wondering does all mentioned files (wiff, pepXML,dta,mgf) 
too contains "mono-isotopic mass" information? 

Please guide me! 

Regards, 


RawProt