Dataset Open Access

A MALDI-TOF Mass Spectrometry Database for Identification and Classification of Highly Pathogenic Microorganisms from the Robert Koch-Institute (RKI)

Lasch, Peter; Stämmler, Maren; Schneider, Andy

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  "publisher": "Zenodo", 
  "DOI": "10.5281/zenodo.163517", 
  "title": "A MALDI-TOF Mass Spectrometry Database for Identification and Classification of Highly Pathogenic Microorganisms from the Robert Koch-Institute (RKI)", 
  "issued": {
    "date-parts": [
  "abstract": "<p><em>(Version&nbsp;20161027) </em></p>\n\n<p><strong><em>Edit #1 (May 23, 2017): New database version (v.2 - 20170523) - available</em>: </strong> <a href=\"\">10.5281/zenodo.582602</a></p>\n\n<p><strong><em>Edit #2 (Nov 30, 2018): New database version (v.3 - 20181130) - available</em>: </strong> <a href=\"\">10.5281/zenodo.1880975</a></p>\n\n<p>&nbsp;</p>\n\n<p>The Robert Koch-Institute (RKI) database of microbial MALDI-TOF mass spectra contains mass spectral entries from highly pathogenic (biosafety level 3, BSL-3) bacteria such as <em>Bacillus anthracis</em>, <em>Yersinia pestis</em>, <em>Burkholderia mallei</em>, <em>Burkholderia pseudomallei</em> and <em>Francisella tularensis</em> as well as a selection of spectra from their close and more distant relatives. The RKI mass spectral database can be used as a reference for the diagnostics of BSL-3 bacteria using proprietary and free software packages for MALDI-TOF MS-based microbial identification. The database itself is distributed as a zip archive that contains the original mass spectra in its native data format (Bruker Daltonics). Please refer to the pdf file (161027-ZENODO-Metadata.pdf) to obtain information on the metadata of the spectra. Do not try to print this document (~1000 pages!)</p>\n\n<p>The pkf-file (161027_zenodo_Peaklist_(30Peaks1,6).pkf ) contains <em>so-called</em> database spectra in a Matlab compatible format. The latter data file can be imported into MicrobeMS, a Matlab-based free-of-charge software solution developed at the RKI. MicrobeMS is available from</p>\n\n<p>For the future it is intended to update the RKI database of MALDI-TOF mass spectra on a regular basis.</p>\n\n<p>The author&#39;s grateful thanks are given to the following persons for providing microbial strains and species. Without their help this work would not be possible.</p>\n\n<ul>\n\t<li>Wolfgang Beyer - University of Hohenheim, Faculty of Agricultural Sciences, Stuttgart, Germany</li>\n\t<li>Guido Werner - Robert Koch-Institute, <em> Nosocomial Pathogens and Antibiotic Resistances</em> (FG13), Wernigerode, Germany</li>\n\t<li>Alejandra Bosch - CINDEFI, CONICET-CCT La Plata, Facultad de Ciencias Exactas, Universidad Nacional de La Plata, La Plata, Buenos Aires, Argentina</li>\n\t<li>Michal Drevinek - National Institute for Nuclear, Biological and Chemical Protection, Milin, Czech Republic</li>\n\t<li>Roland Grunow - Robert Koch-Institute, <em>Highly Pathogenic Microorganisms</em> (ZBS2), Berlin, Germany</li>\n\t<li>Daniela Jacob - Robert Koch-Institute, <em>Highly Pathogenic Microorganisms</em> (ZBS2), Berlin, Germany</li>\n\t<li>Silke Klee - Robert Koch-Institute, <em>Highly Pathogenic Microorganisms</em> (ZBS2), Berlin, Germany</li>\n\t<li>J&ouml;rg Rau - Chemisches und Veterin&auml;runtersuchungsamt Stuttgart, Fellbach, Germany</li>\n\t<li>Jens Jacob - Robert Koch-Institute, <em>Hospital Hygiene, Infection Prevention and Control </em>(FG14), Berlin, Germany</li>\n\t<li>Martin Mielke - Robert Koch-Institute, <em>Department 1 - Infectious Diseases</em>, Berlin, Germany</li>\n\t<li>Monika Ehling-Schulz - Functional Microbiology, Institute of Microbiology, University of Veterinary Medicine, Vienna, Austria</li>\n</ul>\n\n<p>&nbsp;</p>", 
  "author": [
      "family": "Lasch, Peter"
      "family": "St\u00e4mmler, Maren"
      "family": "Schneider, Andy"
  "note": "License type for data base files (spectra): Creative Commons Attribution Non Commercial 4.0 International (CC-BY-NC): Licensees must credit the original authors by stating their names & the original work's title. Licensees may copy, distribute, display, and perform the work and make derivative works and remixes based on it only for non-commercial purposes.", 
  "type": "dataset", 
  "id": "163517"
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