Au-SALDI MS spectra of Escherichia coli and Shigella flexneri metabolite extracts

Au-SALDI mass spectra of Escherichia coli WDCM 00090 ATCC® 11775™ and Shigella flexneri ATCC® 12022™ metabolite extracts.GENERAL INFORMATIONTitle of Dataset: Au-SALDI MS spectra of Escherichia coli and Shigella flexneri metabolite extractsAuthor/Principal Investigator InformationName: Adrian ArendowskiORCID: 0000-0002-8496-6800Institution: 1 Faculty of Chemistry, Rzeszów University of Technology, Powstańców Warszawy 6, 35-959 Rzeszów, Poland2 Centre for Modern Interdisciplinary Technologies, Nicolaus Copernicus University, Wileńska 4, 87-100 Toruń, PolandEmail: [e-mail] of data collection: from 2024-08-01 to 2024-08-07Geographic location of data collection: PolandKeywords: Escherichia coli; SALDI; mass spectrometry; microorganisms; Shigella flexneri; metabolites; gold nanoparticlesLanguage information: EnglishInformation about funding sources that supported the collection of the data: National Science Center Poland, grant MINIATURA 6; 2022/06/X/NZ6/00226SHARING/ACCESS INFORMATIONLicenses/restrictions placed on the data: CC BYDATA & FILE OVERVIEWFile List:1. Bacterial metabolic fingerprint Au-SALDI MS Bruker files.zip (Folder contains Au-SALDI MS spectral files of metabolite extracts from Escherichia coli ATCC® 11775™ and Shigella flexneri ATCC® 12022™ generated by Bruker ultrafleXtreme MALDI mass spectrometer readable in Bruker FlexAnalysis software).2. Bacterial metabolic fingerprint Au-SALDI MS ASCII files.zip (Folder contains Au-SALDI MS spectral ASCII files of metabolite extracts from Escherichia coli ATCC® 11775™ and Shigella flexneri ATCC® 12022™ generated by Bruker ultrafleXtreme MALDI mass spectrometer in .txt format readable in Notepad).METHODOLOGICAL INFORMATIONDescription of methods used for collection/generation of data: Metabolite extracts from Escherichia coli ATCC® 11775™ and Shigella flexneri ATCC® 12022™ bacteria were prepared according to protocol described by Bligh & Dyer (https://doi.org/10.1139/o59-099). A SALDI target covered with gold nanoparticles was prepared following a method similar to that described by Sekuła et al. (https://doi.org/10.1016/j.aca.2015.01.046).Methods for processing the data: Au-SALDI MS spectra of metabolite extracts were obtained using a laser desorption/ionization time-of-flight mass spectrometer Bruker ultrafleXtreme in positive-ion mode with reflector in range m/z 80-1000.Instrument- or software-specific information needed to interpret the data: Files in the "Bacterial metabolic fingerprint Au-SALDI MS Bruker files.zip" folder can be opened with Bruker flexAnalysis 3.3 or later.Standards and calibration information: Mass calibration was performed using internal standard (gold ions and clusters from Au+ to Au5+) with a quadratic calibration strategy.