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Extracting Accurate Precursor Information for Tandem Mass Spectra by RawConverter

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He, Lin, Diedrich, Jolene, Chu, Yen-Yin, Yates, John R.·2015·Analytical Chemistry

Abstract

Extraction of data from the proprietary RAW files generated by Thermo Fisher mass spectrometers is the primary step for subsequent data analysis. High resolution and high mass accuracy data obtained by state-of-the-art mass spectrometers (e.g., Orbitraps) can significantly improve both peptide/protein identification and quantification. We developed RawConverter, a stand-alone software tool, to improve data extraction on RAW files from high-resolution Thermo Fisher mass spectrometers. RawConverter extracts full scan and MS(n) data from RAW files like its predecessor RawXtract; most importantly, it associates the accurate precursor mass-to-charge (m/z) value with the tandem mass spectrum. RawConverter accepts RAW data generated by either data-dependent acquisition (DDA) or data-independent acquisition (DIA). It generates output into MS1/MS2/MS3, MGF, or mzXML file formats, which fulfills the format requirements for most data identification and quantification tools. Using the tandem mass spectra extracted by RawConverter with corrected m/z values, 32.8%, 27.1%, and 84.1%, peptide spectra matches (PSMs) produce 17.4% (13.0%), 14.4% (11.5%), and 45.7% (36.2%) more peptide (protein) identifications than ProteoWizard, pXtract, and RawXtract, respectively. RawConverter is implemented in C# and is freely accessible at http://fields.scripps.edu/rawconv.

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Metadata

Authors
He, L., Diedrich, J., Chu, Y.-Y., & Yates, J. R.
Venue
Analytical Chemistry
Published
2015-11-04
Volume
87
Issue
22
Pages
11361-11367
ISSN
  • 0003-2700 (ISSN-L)
  • 1520-6882
OpenAlex
W1850233136
Cited by
306
References
19
FWCI
7.07
Type
journal article
Language
en
Open access
green

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CoChat. (2026). Citation check: Extracting Accurate Precursor Information for Tandem Mass Spectra by RawConverter. https://app.cochat.ai/papers/10.1021/acs.analchem.5b02721
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He, L., Diedrich, J., Chu, Y.-Y., & Yates, J. R. (2015). Extracting Accurate Precursor Information for Tandem Mass Spectra by RawConverter. Analytical Chemistry. https://doi.org/10.1021/acs.analchem.5b02721

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