Dataset Open Access

Version 3 (20181130) of the 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

(Version 20181130)

Version 3 (20181130) of the RKI’s MALDI-TOF mass spectral database represents the second update of the original database (version 20161027, https://doi.org/10.5281/zenodo.163517). The RKI database v.3 contains altogether 6264 mass spectra from highly pathogenic (i.e. biosafety level 3, BSL-3) bacteria such as Bacillus anthracis, Yersinia pestis, Burkholderia mallei, Burkholderia pseudomallei and Francisella tularensis as well as a selection of spectra from their close and more distant relatives. The 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. Spectral data are distributed as a 7-zip archive that contains the original mass spectra in its native data format (Bruker Daltonics). Please refer to the pdf file (181130-ZENODO-Metadata.pdf) to obtain information on cultivation condition, sample preparation and details of spectra acquisition. Do not try to print this document (~1000 pages!)

The pkf-file (181130_ZENODO_Peaklist_30Peaks_1.6.pkf) contains the MS peak list data in a Matlab compatible format. The latter data file can be imported into MicrobeMS, a Matlab-based free-of-charge software solution developed at RKI. MicrobeMS is available from http://www.microbe-ms.com.

The RKI mass spectral database will be updated on a regular basis.

The author's grateful thanks are given to the following persons for providing microbial strains and species, or mass spectra. Without their help this work would not be possible.

  • Wolfgang Beyer - University of Hohenheim, Faculty of Agricultural Sciences, Stuttgart, Germany
  • Guido Werner - Robert Koch-Institute, Nosocomial Pathogens and Antibiotic Resistances (FG13), Wernigerode, Germany
  • Alejandra Bosch - CINDEFI, CONICET-CCT La Plata, Facultad de Ciencias Exactas, Universidad Nacional de La Plata, La Plata, Buenos Aires, Argentina
  • Michal Drevinek - National Institute for Nuclear, Biological and Chemical Protection, Milin, Czech Republic
  • Roland Grunow - Robert Koch-Institute, Highly Pathogenic Microorganisms (ZBS2), Berlin, Germany
  • Daniela Jacob - Robert Koch-Institute, Highly Pathogenic Microorganisms (ZBS2), Berlin, Germany
  • Silke Klee - Robert Koch-Institute, Highly Pathogenic Microorganisms (ZBS2), Berlin, Germany
  • Jörg Rau - Chemisches und Veterinäruntersuchungsamt Stuttgart, Fellbach, Germany
  • Jens Jacob - Robert Koch-Institute, Hospital Hygiene, Infection Prevention and Control (FG14), Berlin, Germany
  • Martin Mielke - Robert Koch-Institute, Department 1 - Infectious Diseases, Berlin, Germany
  • Monika Ehling-Schulz - Functional Microbiology, Institute of Microbiology, University of Veterinary Medicine, Vienna, Austria
  • Armand Paauw - Department of Medical Microbiology, CBRN protection, Universitair Medisch Centrum Utrecht, TNO, Rijswijk, The Netherlands

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.
Files (188.6 MB)
Name Size
181130-ZENODO-Metadata.pdf
md5:f6c22ea42d9b87cdee995cc7aa2ec2f6 		3.5 MB Download
181130_ZENODO_Peaklist_30Peaks_1.6.pkf
md5:bcd41a3a2dbdd1b81ecdf32d402fd8ba 		10.7 MB Download
zenodo db 181130.7z
md5:963e5dd210353cb6b033a65878c7513e 		174.4 MB Download

  • Dieckmann R, ... , Dabrowski PW, Nitsche A, Stämmler M, ... , Lasch P. (2015), Faraday Discuss., DOI: 10.1039/C5FD00165J

  • Lasch P & Naumann D. In: Proteomics, Glycomics and Antigenicity of BSL3 and BSL4 Agents. Wiley VCH 2011, Weinheim.

  • Lasch P , ... , Naumann D. Appl Environ Microbiol. (2009) 75(22):7229-42.

  • Lasch P, ... , Naumann D. Anal Chem. (2010) 82(20):8464-75.

  • Lasch P, ...., Stämmler M, Grunow R, Jacob D. (2015). J Clin Microbiol 53(8): 2632-2640.

  • Lasch P, Fleige C, Stämmler M, Layer F, Nübel U, Witte W, Werner G, J. (2014) Microbiol. Methods 100. 58-69.

  • Lasch P, Grunow R, ...., Jacob D (2016). MALDI-TOF MS for the Identification of HPB. Trends in Analytical Chemistry

  • Lasch P, Jacob D, Grunow R, .., Doellinger J. (2016). Inactivation Techniques for MALDI-TOF MS. Trends in Analytical Chemistry

  • Lasch P, Jacob D, Klee SR, Werner G, (2016). Applications of Mass Spectrometry in Microbiology, Springer International Publishing, pp. 203-234.

  • Lasch P, Nattermann H, ... Grunow R, Naumann D, Anal Chem. (2008) 80(6): 2026-34.

  • Lista, F., Reubsaet, F. A., ..., Paauw, A. (2011). Reliable identification at the species level of Brucella isolates with MALDI-TOF-MS. BMC Microbiol 11(1): 267.

  • Miñán A, Bosch A, Lasch P, ... , Naumann, D. Analyst. (2009) 134(6):1138-48.

  • Wittwer M, Lasch P, .... , Jacob D, Grunow R. (2012) Applied Biosafety. 17(2): 59-63

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Publication date:
November 30, 2018
DOI:
10.5281/zenodo.1880975

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Keyword(s):
MALDI TOF Mass Spectrometry Spectral Database Identification
Related identifiers:
Previous versions:
10.5281/zenodo.163517, 10.5281/zenodo.582602
License (for files):
Creative Commons Attribution 4.0 International

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Version 1 10.5281/zenodo.1880975 Nov 30, 2018
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