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

Version 1.1

Arendowski, Adrian, 2024, "Au-SALDI MS spectra of Escherichia coli and Shigella flexneri metabolite extracts", https://doi.org/10.18150/XGMFKO, RepOD, V1

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Description

Au-SALDI mass spectra of Escherichia coli WDCM 00090 ATCC® 11775™ and Shigella flexneri ATCC® 12022™ metabolite extracts.


GENERAL INFORMATION

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

Author/Principal Investigator Information

Name: Adrian Arendowski

ORCID: 0000-0002-8496-6800

Institution: 1 Faculty of Chemistry, Rzeszów University of Technology, Powstańców Warszawy 6, 35-959 Rzeszów, Poland

2 Centre for Modern Interdisciplinary Technologies, Nicolaus Copernicus University, Wileńska 4, 87-100 Toruń, Poland

Email: a.arendowski@prz.edu.pl

Date of data collection: from 2024-08-01 to 2024-08-07

Geographic location of data collection: Poland

Keywords: Escherichia coli; SALDI; mass spectrometry; microorganisms; Shigella flexneri; metabolites; gold nanoparticles

Language information: English

Information about funding sources that supported the collection of the data: National Science Center Poland, grant MINIATURA 6; 2022/06/X/NZ6/00226


SHARING/ACCESS INFORMATION

Licenses/restrictions placed on the data: CC BY


DATA & FILE OVERVIEW

File 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 INFORMATION

Description 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.

(2024)
Subject
Chemistry; Medicine, Health and Life Sciences
Keyword

Escherichia coli, SALDI, mass spectrometry, microorganisms, Shigella flexneri, metabolites, gold nanoparticles

Related Publication

Arendowski, A. Differentiation of Escherichia coli and Shigella flexneri by Metabolite Profiles Obtained Using Gold Nanoparticles-Based Surface-Assisted Laser Desorption/Ionization Mass Spectrometry. Pathogens 2025, 14 (1), 19. https://www.mdpi.com/2076-0817/14/1/19 doi: 10.3390/pathogens14010019

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readme.txt
Plain Text - 2.8 KB - Dec 12, 2024 - 0 Downloads
MD5: 7d59e001fc4905222b8d870427de86d4
License: CC0 Creative Commons Zero 1.0
This readme file was generated on 2024-12-12 by Adrian Arendowski
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Bacterial_metabolic_fingerprint_Au_SALDI_MS_Bruker_files.zip
ZIP Archive - 39.8 MB - Dec 12, 2024 - 0 Downloads
MD5: da0d8654749ccead4c561bb5c01c4667
License: CC BY - Creative Commons Attribution 4.0
Folder contains Au-SALDI MS spectral files of metabolite extracts from Escherichia coli ATCC® 11775™ and Shigella flexneri ATCC® 12022™ generated by Bruker ultrafleXtreme LDI mass spectrometer readable in Bruker FlexAnalysis software
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Bacterial_metabolic_fingerprint_Au_SALDI_MS_ASCII_files.zip
ZIP Archive - 41.9 MB - Dec 12, 2024 - 0 Downloads
MD5: c70887e8b4811e969dd1b5dfd5432c18
License: CC BY - Creative Commons Attribution 4.0
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
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