DOI: 10.5281/zenodo.582602
title: Version 2 (20170523) of the MALDI-TOF Mass Spectrometry Database for Identification and Classification of Highly Pathogenic Microorganisms from the Robert Koch-Institute (RKI)

description: (Version 20170523) 

Edit #1 (Nov 30, 2018): New database version (v.3 - 20181130) - available:  10.5281/zenodo.1880975

Edit #2 (Mar 06, 2023): New database version (v.4.2 - 20230306) - available:  10.5281/zenodo.7702375

Version 2 (20170523) of the RKI’s MALDI-TOF mass spectral database is an update of the original database (version 20161027, https://doi.org/10.5281/zenodo.163517). The RKI database contains mass spectral entries from highly pathogenic (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 (170523-ZENODO-Metadata.pdf) to obtain information on the metadata of the spectra. Do not try to print this document (~1100 pages!)

The pkf-file (170523_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. 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
description: 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.