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Title: MS/MS Automated Selected Ion Chromatograms

Abstract

This program can be used to read a LC-MS/MS data file from either a Finnigan ion trap mass spectrometer (.Raw file) or an Agilent Ion Trap mass spectrometer (.MGF and .CDF files) and create a selected ion chromatogram (SIC) for each of the parent ion masses chosen for fragmentation. The largest peak in each SIC is also identified, with reported statistics including peak elution time, height, area, and signal to noise ratio. It creates several output files, including a base peak intensity (BPI) chromatogram for the survey scan, a BPI for the fragmentation scans, an XML file containing the SIC data for each parent ion, and a "flat file" (ready for import into a database) containing summaries of the SIC data statistics.

Authors:
Publication Date:
Research Org.:
Pacific Northwest National Laboratory
Sponsoring Org.:
USDOE
OSTI Identifier:
1231388
Report Number(s):
MASIC; 002580IBMPC00
Battelle IPID 15047-E
DOE Contract Number:
DE-AC05-76RLO 1830
Resource Type:
Software
Software Revision:
00
Software Package Number:
002580
Software Package Contents:
Open Source Software package available from Pacific Northwest National Labortory at the follow URL: http://omics.pnl.gov/software/MASIC.php
Software CPU:
IBMPC
Open Source:
Yes
Source Code Available:
Yes
Country of Publication:
United States

Citation Formats

Monroe, Matthew. MS/MS Automated Selected Ion Chromatograms. Computer software. https://www.osti.gov//servlets/purl/1231388. Vers. 00. USDOE. 12 Dec. 2005. Web.
Monroe, Matthew. (2005, December 12). MS/MS Automated Selected Ion Chromatograms (Version 00) [Computer software]. https://www.osti.gov//servlets/purl/1231388.
Monroe, Matthew. MS/MS Automated Selected Ion Chromatograms. Computer software. Version 00. December 12, 2005. https://www.osti.gov//servlets/purl/1231388.
@misc{osti_1231388,
title = {MS/MS Automated Selected Ion Chromatograms, Version 00},
author = {Monroe, Matthew},
abstractNote = {This program can be used to read a LC-MS/MS data file from either a Finnigan ion trap mass spectrometer (.Raw file) or an Agilent Ion Trap mass spectrometer (.MGF and .CDF files) and create a selected ion chromatogram (SIC) for each of the parent ion masses chosen for fragmentation. The largest peak in each SIC is also identified, with reported statistics including peak elution time, height, area, and signal to noise ratio. It creates several output files, including a base peak intensity (BPI) chromatogram for the survey scan, a BPI for the fragmentation scans, an XML file containing the SIC data for each parent ion, and a "flat file" (ready for import into a database) containing summaries of the SIC data statistics.},
url = {https://www.osti.gov//servlets/purl/1231388},
doi = {},
year = {Mon Dec 12 00:00:00 EST 2005},
month = {Mon Dec 12 00:00:00 EST 2005},
note =
}

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