Document Detail


Library dependent LC-MS/MS acquisition via mzAPI/Live.
MedLine Citation:
PMID:  23457059     Owner:  NLM     Status:  MEDLINE    
Abstract/OtherAbstract:
The use of MS for characterization of small molecules, nucleotides, and proteins in model organisms as well as primary tissues and clinical samples continues to proliferate at a rapid pace. The complexity and dynamic range of target analytes in biological systems hinders comprehensive analysis and simultaneously drives improvements in instrument hardware and software. As a result, state-of-the-art commercial mass spectrometers are equipped with sophisticated embedded control systems that provide robust acquisition methods accessed through intuitive graphical interfaces. Although optimized for speed, these preconfigured scan functions are otherwise closed to end-user customization beyond simple, analytical-centric parameters supplied by the manufacturer. Here, we present an open-source framework (mzAPI/Live) that enables users to generate arbitrarily complex LC-MS(n) acquisition methods via simple Python scripting. As a powerful proof-of-concept, we demonstrate real-time assignment of tandem mass spectra through rapid query of NIST peptide libraries. This represents an unprecedented capability to make acquisition decisions based on knowledge of analyte structures determined during the run itself, thus providing a path toward biology-driven MS data acquisition for the broader community.
Authors:
James T Webber; Manor Askenazi; Scott B Ficarro; Max A Iglehart; Jarrod A Marto
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Publication Detail:
Type:  Journal Article; Research Support, N.I.H., Extramural; Research Support, Non-U.S. Gov't    
Journal Detail:
Title:  Proteomics     Volume:  13     ISSN:  1615-9861     ISO Abbreviation:  Proteomics     Publication Date:  2013 May 
Date Detail:
Created Date:  2013-04-22     Completed Date:  2013-12-10     Revised Date:  2014-05-07    
Medline Journal Info:
Nlm Unique ID:  101092707     Medline TA:  Proteomics     Country:  Germany    
Other Details:
Languages:  eng     Pagination:  1412-6     Citation Subset:  IM    
Copyright Information:
© 2013 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.
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MeSH Terms
Descriptor/Qualifier:
Chromatography, Liquid / methods*
Escherichia coli Proteins / analysis
Image Processing, Computer-Assisted / methods
Peptide Library*
Saccharomyces cerevisiae Proteins / analysis
Software*
Tandem Mass Spectrometry / methods*
Grant Support
ID/Acronym/Agency:
P01 NS047572/NS/NINDS NIH HHS; P01NS047572/NS/NINDS NIH HHS
Chemical
Reg. No./Substance:
0/Escherichia coli Proteins; 0/Peptide Library; 0/Saccharomyces cerevisiae Proteins
Comments/Corrections

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