IsoMS: automated processing of LC-MS data generated by a chemical isotope labeling metabolomics platform.A chemical isotope labeling or isotope coded derivatization (ICD) metabolomics platform uses a chemical derivatization method to introduce a mass tag to all of the metabolites having a common functional group (e.g., amine), followed by LC-MS analysis of the labeled metabolites.  A software tool, IsoMS, has been developed to process the raw data generated from one or multiple LC-MS runs by peak picking, peak pairing, peak-pair filtering, and peak-pair intensity ratio calculation.  IsoMS was able to detect these metabolites correctly.  In addition, in the analysis of a (13)C2-/(12)C2-dansyl labeled human urine, IsoMS detected 2044 peak pairs, and manual inspection of these peak pairs found 90 false peak pairs, representing a false positive rate of 4.4%.  IsoMS for Windows running R is freely available for noncommercial use from www.mycompoundid.org/IsoMS.
IsoMS
IsoMS: automated processing of LC-MS data generated by a chemical isotope labeling metabolomics platform.A chemical isotope labeling or isotope coded derivatization (ICD) metabolomics platform uses a chemical derivatization method to introduce a mass tag to all of the metabolites having a common functional group (e.g., amine), followed by LC-MS analysis of the labeled metabolites.  A software tool, IsoMS, has been developed to process the raw data generated from one or multiple LC-MS runs by peak picking, peak pairing, peak-pair filtering, and peak-pair intensity ratio calculation.  IsoMS was able to detect these metabolites correctly.  In addition, in the analysis of a (13)C2-/(12)C2-dansyl labeled human urine, IsoMS detected 2044 peak pairs, and manual inspection of these peak pairs found 90 false peak pairs, representing a false positive rate of 4.4%.  IsoMS for Windows running R is freely available for noncommercial use from www.mycompoundid.org/IsoMS.
IsoMS
IsoMS: automated processing of LC-MS data generated by a chemical isotope labeling metabolomics platform.A chemical isotope labeling or isotope coded derivatization (ICD) metabolomics platform uses a chemical derivatization method to introduce a mass tag to all of the metabolites having a common functional group (e.g., amine), followed by LC-MS analysis of the labeled metabolites. 
LC-MS data generated by a chemical isotope labeling metabolomics platform
IsoMS: automated processing of LC-MS data generated by a chemical isotope labeling metabolomics platform.A chemical isotope labeling or isotope coded derivatization (ICD) metabolomics platform uses a chemical derivatization method to introduce a mass tag to all of the metabolites having a common functional group (e.g., amine), followed by LC-MS analysis of the labeled metabolites.  A software tool, IsoMS, has been developed to process the raw data generated from one or multiple LC-MS runs by peak picking, peak pairing, peak-pair filtering, and peak-pair intensity ratio calculation.  IsoMS was able to detect these metabolites correctly.  In addition, in the analysis of a (13)C2-/(12)C2-dansyl labeled human urine, IsoMS detected 2044 peak pairs, and manual inspection of these peak pairs found 90 false peak pairs, representing a false positive rate of 4.4%.  IsoMS for Windows running R is freely available for noncommercial use from www.mycompoundid.org/IsoMS.
IsoMS
IsoMS for Windows running R is freely available for noncommercial use from www.mycompoundid.org/IsoMS.
Windows running R
IsoMS: automated processing of LC-MS data generated by a chemical isotope labeling metabolomics platform.A chemical isotope labeling or isotope coded derivatization (ICD) metabolomics platform uses a chemical derivatization method to introduce a mass tag to all of the metabolites having a common functional group (e.g., amine), followed by LC-MS analysis of the labeled metabolites.  A software tool, IsoMS, has been developed to process the raw data generated from one or multiple LC-MS runs by peak picking, peak pairing, peak-pair filtering, and peak-pair intensity ratio calculation.  IsoMS was able to detect these metabolites correctly.  In addition, in the analysis of a (13)C2-/(12)C2-dansyl labeled human urine, IsoMS detected 2044 peak pairs, and manual inspection of these peak pairs found 90 false peak pairs, representing a false positive rate of 4.4%.  IsoMS for Windows running R is freely available for noncommercial use from www.mycompoundid.org/IsoMS.
IsoMS