Cross-link Transition Calculator

Welcome to the Cross-link Transition Calculator support board. If you have a question about using Cross-link Transition Calculator, or if you encounter a problem, you can post your questions here.

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Inter-Peptide Disulfide Bridge Settings
(1 response) david schmidt 2023-03-29 06:38

Hi,

I wanted to analyze inter-peptide disulfide bond formation, which could be treated as a CID cleavable cross-link. Could you please tell me the settings for long- and short-arm mass as well as modification A and -B for the disulfide-linked form?

Thank you and best wishes,
David

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Problem_Crosslinktransitioncalculator
(1 response) Nour Alturihi 2018-02-28 05:19
Hi,

I installed your software and I wanted to try to test with your file "input_dss.txt" but it doesn't work.
I had this error message:
 J.A.Yergey, Int. J. Mass Spectrom. Ion Phys. 1983, 52, 337-349






"C:\Users\noura\AppData\Local\Apps\2.0\7Y8H36B2.6W3\4W5974KX.5A0\skyl..tion_e4141a2a22107248_0004.0001_352b8c93f6ba0623\Tools\XLTCalc\SkylineIntegration.exe" 30def13f-4991-4c31-a76b-9f09affb572a
 USAGE:
         C:\Users\noura\AppData\Local\Apps\2.0\7Y8H36B2.6W3\4W5974KX.5A0\skyl..tion_e4141a2a22107248_0004.0001_352b8c93f6ba0623\Tools\XLTCalc\react2prm_web.exe [options] pepA pepB modA modB xlink-string shortArmMass longArmMass precursorCharge
     or C:\Users\noura\AppData\Local\Apps\2.0\7Y8H36B2.6W3\4W5974KX.5A0\skyl..tion_e4141a2a22107248_0004.0001_352b8c93f6ba0623\Tools\XLTCalc\react2prm_web.exe -f /input/file.txt

   [options] specifies:
           -m report theoretical monoisotopic precursor m/z
                            default is to report theoretical most intense isotope m/z

 Input file format:
    short_arm_mass long_arm_mass
    pepA pepB modA modB precursorCharge
    pepA pepB modA modB precursorCharge
      : : : : :

 Download example file and see documentation at http://xlinkdb.gs.washington.edu/xlinkdb/prmTransitionForm.php

 Default is to report most intense isotope precursor m/z based on:
 J.A.Yergey, Int. J. Mass Spectrom. Ion Phys. 1983, 52, 337-349






"C:\Users\noura\AppData\Local\Apps\2.0\7Y8H36B2.6W3\4W5974KX.5A0\skyl..tion_e4141a2a22107248_0004.0001_352b8c93f6ba0623\Tools\XLTCalc\SkylineIntegration.exe" 30def13f-4991-4c31-a76b-9f09affb572a
 USAGE:
         C:\Users\noura\AppData\Local\Apps\2.0\7Y8H36B2.6W3\4W5974KX.5A0\skyl..tion_e4141a2a22107248_0004.0001_352b8c93f6ba0623\Tools\XLTCalc\react2prm_web.exe [options] pepA pepB modA modB xlink-string shortArmMass longArmMass precursorCharge
     or C:\Users\noura\AppData\Local\Apps\2.0\7Y8H36B2.6W3\4W5974KX.5A0\skyl..tion_e4141a2a22107248_0004.0001_352b8c93f6ba0623\Tools\XLTCalc\react2prm_web.exe -f /input/file.txt

   [options] specifies:
           -m report theoretical monoisotopic precursor m/z
                            default is to report theoretical most intense isotope m/z

 Input file format:
    short_arm_mass long_arm_mass
    pepA pepB modA modB precursorCharge
    pepA pepB modA modB precursorCharge
      : : : : :

 Download example file and see documentation at http://xlinkdb.gs.washington.edu/xlinkdb/prmTransitionForm.php

 Default is to report most intense isotope precursor m/z based on:
 J.A.Yergey, Int. J. Mass Spectrom. Ion Phys. 1983, 52, 337-349




Could you help me?

Thank you so much,

Regards,

Nour AL TURIHI
PhD student
 input_dss.txt 
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