TraML—A Standard Format for Exchange of Selected Reaction Monitoring Transition Lists*

Targeted proteomics via selected reaction monitoring is a powerful mass spectrometric technique affording higher dynamic range, increased specificity and lower limits of detection than other shotgun mass spectrometry methods when applied to proteome analyses. However, it involves selective measurement of predetermined analytes, which requires more preparation in the form of selecting appropriate signatures for the proteins and peptides that are to be targeted. There is a growing number of software programs and resources for selecting optimal transitions and the instrument settings used for the detection and quantification of the targeted peptides, but the exchange of this information is hindered by a lack of a standard format. We have developed a new standardized format, called TraML, for encoding transition lists and associated metadata. In addition to introducing the TraML format, we demonstrate several implementations across the community, and provide semantic validators, extensive documentation, and multiple example instances to demonstrate correctly written documents. Widespread use of TraML will facilitate the exchange of transitions, reduce time spent handling incompatible list formats, increase the reusability of previously optimized transitions, and thus accelerate the widespread adoption of targeted proteomics via selected reaction monitoring.

[1]  Brendan MacLean,et al.  Skyline: an open source document editor for creating and analyzing targeted proteomics experiments , 2010, Bioinform..

[2]  Jari Häkkinen,et al.  PROTEIOS: an open source proteomics initiative , 2005, Bioinform..

[3]  Martin Eisenacher,et al.  The mzIdentML Data Standard for Mass Spectrometry-Based Proteomics Results , 2012, Molecular & Cellular Proteomics.

[4]  Lennart Martens,et al.  mzML—a Community Standard for Mass Spectrometry Data* , 2010, Molecular & Cellular Proteomics.

[5]  R. Aebersold,et al.  Mass Spectrometry and Protein Analysis , 2006, Science.

[6]  Jingchun Chen,et al.  ATAQS: A computational software tool for high throughput transition optimization and validation for selected reaction monitoring mass spectrometry , 2011, BMC Bioinformatics.

[7]  Jennifer A Mead,et al.  MRMaid, the Web-based Tool for Designing Multiple Reaction Monitoring (MRM) Transitions* , 2009, Molecular & Cellular Proteomics.

[8]  Lennart Martens,et al.  The minimum information about a proteomics experiment (MIAPE) , 2007, Nature Biotechnology.

[9]  Robertson Craig,et al.  Open source system for analyzing, validating, and storing protein identification data. , 2004, Journal of proteome research.

[10]  Ruedi Aebersold,et al.  High Throughput Quantitative Analysis of Serum Proteins Using Glycopeptide Capture and Liquid Chromatography Mass Spectrometry *S , 2005, Molecular & Cellular Proteomics.

[11]  E. Deutsch mzML: A single, unifying data format for mass spectrometer output , 2008, Proteomics.

[12]  R. Aebersold,et al.  Proteome-wide cellular protein concentrations of the human pathogen Leptospira interrogans , 2009, Nature.

[13]  Henry H. N. Lam,et al.  PeptideAtlas: a resource for target selection for emerging targeted proteomics workflows , 2008, EMBO reports.

[14]  Chris F. Taylor,et al.  The work of the Human Proteome Organisation's Proteomics Standards Initiative (HUPO PSI). , 2006, Omics : a journal of integrative biology.

[15]  Henry H. N. Lam,et al.  A database of mass spectrometric assays for the yeast proteome , 2008, Nature Methods.

[16]  Lennart Martens,et al.  jTraML: An Open Source Java API for TraML, the PSI Standard for Sharing SRM Transitions , 2011, Journal of proteome research.

[17]  Nichole L. King,et al.  Integration with the human genome of peptide sequences obtained by high-throughput mass spectrometry , 2004, Genome Biology.

[18]  Robert Burke,et al.  ProteoWizard: open source software for rapid proteomics tools development , 2008, Bioinform..

[19]  Nichole L. King,et al.  Targeted Quantitative Analysis of Streptococcus pyogenes Virulence Factors by Multiple Reaction Monitoring*S , 2008, Molecular & Cellular Proteomics.

[20]  Lennart Martens,et al.  The PSI semantic validator: A framework to check MIAPE compliance of proteomics data , 2009, Proteomics.

[21]  Luis Mendoza,et al.  PASSEL: The PeptideAtlas SRMexperiment library , 2012, Proteomics.

[22]  Susan E Abbatiello,et al.  Evaluation of Large Scale Quantitative Proteomic Assay Development Using Peptide Affinity-based Mass Spectrometry* , 2011, Molecular & Cellular Proteomics.

[23]  S. Guha,et al.  Migration events play significant role in genetic differentiation: A microsatellite-based study on Sikkim settlers , 2005, Genome Biology.

[24]  Jennifer A. Cham,et al.  MRMaid-DB: a repository of published SRM transitions. , 2010, Journal of proteome research.

[25]  Knut Reinert,et al.  OpenMS – An open-source software framework for mass spectrometry , 2008, BMC Bioinformatics.

[26]  R. Aebersold,et al.  Scoring proteomes with proteotypic peptide probes , 2005, Nature Reviews Molecular Cell Biology.

[27]  Fredrik Levander,et al.  The proteios software environment: an extensible multiuser platform for management and analysis of proteomics data. , 2009, Journal of proteome research.

[28]  Darryl B. Hardie,et al.  Mass spectrometric quantitation of peptides and proteins using Stable Isotope Standards and Capture by Anti-Peptide Antibodies (SISCAPA). , 2004, Journal of proteome research.