Metrics
27 Downloads
Share Dataset

Share this dataset on your favorite social media networks.

MALDI MS spectra of Escherichia coli and Shigella flexneri protein and lipid extracts

Version 1.1

Arendowski, Adrian, 2023, "MALDI MS spectra of Escherichia coli and Shigella flexneri protein and lipid extracts", https://doi.org/10.18150/TKOYQG, RepOD, V1

Learn about Data Citation Standards.

Description

MALDI mass spectra of Escherichia coli WDCM 00090 ATCC® 11775™ and Shigella flexneri ATCC® 12022™ protein and lipid extracts and also classification results


This readme file was generated on 2023-07-27 by Adrian Arendowski

GENERAL INFORMATION


Title of Dataset: MALDI MS spectra of Escherichia coli and Shigella flexneri protein and lipid extracts


Author/Principal Investigator Information

Name: Adrian Arendowski

ORCID: 0000-0002-8496-6800

Institution: Centre for Modern Interdisciplinary Technologies, Nicolaus Copernicus University

Address: Wileńska 4 Str, Toruń, 87-100, Poland

Email: aarendowski@umk.pl


Date of data collection: from 2023-07-03 to 2023-07-27


Geographic location of data collection: Poland


Keywords: Escherichia coli; identification; MALDI; mass spectrometry; microorganisms; Shigella flexneri; proteins; lipids


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-SA


DATA & FILE OVERVIEW

File List:

1. Lipid profile MALDI MS Bruker files.zip (Folder contains MALDI MS spectral files of lipid extracts from Escherichia coli ATCC® 11775™ and Shigella flexneri ATCC® 12022™ generated by Bruker ultrafleXtreme MALDI mass spectrometer readable in Bruker FlexAnalysis software)

2. Lipid profile MALDI MS peak lists.zip (Folder contains files with a list of signals from spectra of lipid extracts from Escherichia coli ATCC® 11775™ and Shigella flexneri ATCC® 12022™ in .csv format)

3. Lipid profile MspExport.zip (Folder contains the batch files of the Escherichia coli ATCC® 11775™ and Shigella flexneri ATCC® 12022™ lipid profile reference spectra for the Bruker Biotyper database)

4. Lipid profile Bruker MALDI Biotyper Classification Results.pdf (File contains information about the classification of Escherichia coli ATCC® 11775™ and Shigella flexneri ATCC® 12022™ based on lipid profiles generated in the Bruker Biotyper database)

5. Protein profile MALDI MS Bruker files.zip (Folder contains MALDI MS spectral files of protein extracts from Escherichia coli ATCC® 11775™ and Shigella flexneri ATCC® 12022™ generated by Bruker microflex LT MALDI mass spectrometer readable in Bruker FlexAnalysis software)

6. Protein profile Bruker MALDI Biotyper Classification Results.pdf (File contains information about the classification of Escherichia coli ATCC® 11775™ and Shigella flexneri ATCC® 12022™ based on protein profiles generated in the Bruker Biotyper database)


METHODOLOGICAL INFORMATION

Description of methods used for collection/generation of data: Lipid 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). Protein extracts from Escherichia coli ATCC® 11775™ and Shigella flexneri ATCC® 12022™ bacteria were prepared according to on-target extraction method (https://doi.org/10.1002/jms.4696).


Methods for processing the data: MALDI MS spectra of lipid extracts were obtained using a matrix-assisted laser desorption/ionization time-of-flight mass spectrometer Bruker ultrafleXtreme in positive-ion mode with reflector in range m/z 200-2000. MALDI MS spectra of protein extracts were obtained using a matrix-assisted laser desorption/ionization time-of-flight mass spectrometer Bruker microflex LT. The classifications was carried out using the Bruker Biotyper MBT Compass Library Revision H (Bruker Daltonik, Bremen, Germany).


Instrument- or software-specific information needed to interpret the data: Files in the "Lipid profile MALDI MS Bruker files.zip" and "Protein profile MALDI MS Bruker files.zip" folders can be opened with Bruker flexAnalysis 3.3 or later.


Standards and calibration information: Mass calibration was performed using external standard (cesium iodide, CsI) with a quadratic calibration strategy.

(2023-07-27)
Subject
Chemistry; Earth and Environmental Sciences; Medicine, Health and Life Sciences
Keyword

Escherichia coli, identification, MALDI, mass spectrometry, microorganisms, Shigella flexneri, proteins, lipids

Related Publication

Adrian Arendowski "Lipidomic approach to identify Escherichia coli and Shigella spp. by matrix-assisted laser desorption/ionization mass spectrometry" Advances in Medical Sciences 69 (2), pp. 238-247 (2024). https://www.sciencedirect.com/science/article/pii/S1896112624000270 doi: 10.1016/j.advms.2024.04.005

Different licenses for individual files

Find
1 to 7 of 7 Files
readme.txt
Plain Text - 3.8 KB - Jul 31, 2023 - 4 Downloads
MD5: 15c5929f3f3a1489ab1b03abe9ef3cbd
License: CC0 Creative Commons Zero 1.0
This readme file was generated on 2023-07-27 by Adrian Arendowski
Preview
Download
Lipid profile MALDI MS Bruker files.zip
ZIP Archive - 50.8 MB - Jul 31, 2023 - 4 Downloads
MD5: 5f5c855bf7d82265576f2f0218e96470
License: CC BY-SA Creative Commons Attribution - ShareAlike 4.0
Folder contains MALDI MS spectral files of lipid extracts from Escherichia coli ATCC® 11775™ and Shigella flexneri ATCC® 12022™ generated by Bruker ultrafleXtreme MALDI mass spectrometer readable in Bruker FlexAnalysis software
Download
Lipid profile MALDI MS peak lists.zip
ZIP Archive - 96.4 KB - Jul 31, 2023 - 5 Downloads
MD5: 37f5ae6dc0b1cddc10f7e35ed9fa60ff
License: CC BY-SA Creative Commons Attribution - ShareAlike 4.0
Folder contains files with a list of signals from spectra of lipid extracts from Escherichia coli ATCC® 11775™ and Shigella flexneri ATCC® 12022™ in .csv format
Download
Lipid profile MspExport.zip
ZIP Archive - 53.4 KB - Jul 31, 2023 - 5 Downloads
MD5: e919164c0a65552fb32b929845c4c762
License: CC BY-SA Creative Commons Attribution - ShareAlike 4.0
Folder contains the batch files of the Escherichia coli ATCC® 11775™ and Shigella flexneri ATCC® 12022™ lipid profile reference spectra for the Bruker Biotyper database
Download
Lipid profile Bruker MALDI Biotyper Classification Results.pdf
Adobe PDF - 308.9 KB - Jul 31, 2023 - 2 Downloads
MD5: 9646902cea329e1e6c97239e7af5401d
License: CC BY-SA Creative Commons Attribution - ShareAlike 4.0
File contains information about the classification of Escherichia coli ATCC® 11775™ and Shigella flexneri ATCC® 12022™ based on lipid profiles generated in the Bruker Biotyper database
Preview
Download
Protein profile MALDI MS Bruker files.zip
ZIP Archive - 698.3 KB - Jul 31, 2023 - 3 Downloads
MD5: 0167199a12182d46ae704b1672d68938
License: CC BY-SA Creative Commons Attribution - ShareAlike 4.0
Folder contains MALDI MS spectral files of protein extracts from Escherichia coli ATCC® 11775™ and Shigella flexneri ATCC® 12022™ generated by Bruker microflex LT MALDI mass spectrometer readable in Bruker FlexAnalysis software
Download
Protein profile Bruker MALDI Biotyper Classification Results.pdf
Adobe PDF - 442.8 KB - Jul 31, 2023 - 4 Downloads
MD5: 7c90b38ea05e0abd4056fcc2fff807cb
License: CC BY-SA Creative Commons Attribution - ShareAlike 4.0
File contains information about the classification of Escherichia coli ATCC® 11775™ and Shigella flexneri ATCC® 12022™ based on protein profiles generated in the Bruker Biotyper database
Preview
Download
Select File(s)

Please select a file or files to be deleted.

Delete Files

The file(s) will be deleted after you click on the Delete button.

Files will not be removed from previously published versions of the dataset.

Select File(s)

Please select a file or files to be edited.

Select File(s)

Please select a file or files to be edited.

Select File(s)

Please select a file or files to be edited.

Edit license

For selected file(s) set a license to

Select File(s)

Please select a file or files to be downloaded.

Select File(s)

Please select a file or files for access request.

Select File(s)

Please select restricted file(s) to be unrestricted.

Request Access

  You need to Log In/Sign Up to request access to this file.

Continue
Dataset Terms

Please confirm and/or complete the information needed below in order to continue.

Asterisks indicate required fields

Request Access

Access to file(s) subject to additional consent under following conditions:

Accept
Package File Download
Restricted Files Selected

The restricted file(s) selected may not be downloaded because you have not been granted access.

Restricted Files Selected

The restricted file(s) selected may not be downloaded because you have not been granted access.

Click Continue to download the files you have access to download.

Delete Dataset

Are you sure you want to delete this dataset and all of its files? You cannot undelete this dataset.

Embargo

Embargo

Are you sure you want to lift the embargo?

Once you lift the embargo, you will not be able to set it again.

Delete Draft Version

Are you sure you want to delete this draft version? Files will be reverted to the most recently published version. You cannot undelete this draft.

Dataset Private URL

Use a Private URL to allow those without Dataverse accounts to access your dataset. For more information about the Private URL feature, please refer to the User Guide.

Private URL has not been created.

Dataset Private URL

Are you sure you want to disable the Private URL? If you have shared the Private URL with others they will no longer be able to use it to access your dataset.

Submit for Review

You will not be able to make changes to this dataset while it is in review.

Submit
Publish Dataset

This dataset cannot be published until Chemical sciences is published. Would you like to publish both right now?

Once you publish this dataset it must remain published.

Publish Dataset

Are you sure you want to republish this dataset?

Select if this is a minor or major version update.

Publish Dataset

This dataset cannot be published until Chemical sciences is published by its administrator.

Publish Dataset

This dataset cannot be published until Chemical sciences and Uniwersytet Mikołaja Kopernika w Toruniu are published.

Return for modification


Send a copy of this message to the return e-mail address.
OK
Deaccession Dataset

Are you sure you want to deaccession? The selected version(s) will no longer be viewable by the public.