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MALDI TOF MS spectra of lipid extracts from bacteria

Version 1.0

Arendowski, Adrian; Sibińska, Ewelina; Miśta, Wioletta; Fijałkowski, Piotr; Złoch, Michał; Gabryś, Dorota; Pomastowski, Paweł, 2024, "MALDI TOF MS spectra of lipid extracts from bacteria", https://doi.org/10.18150/8EXGUW, RepOD, V1

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Description

Mass spectra of lipid extracts from Staphylococcus epidermidis, Enterococcus faecalis, Escherichia coli and Proteus mirabilis obtained using matrix-assisted laser desorption/ionization time-of-flight mass spectrometry (MALDI TOF MS) technique. Lipid profiles were obtained using: 2 ion modes - reflector positive (PM) and reflector negative (NM); 3 extraction methods - Folch (F), Matyash (M), and Bligh & Dyer (BD); 5 matrices - 9-aminoacridine (9-AA), α-cyano-4-hydroxycinnamic acid (CHCA), 2,5-dihydroxybenzoic acid (DHB), 2-mercaptobenzothiazole (MBT), and 2,4,6-trihydroxyacetophenone (THAP); 2 solvents - chloroform (TCM), TA30 (mixture of acetonitrile and 0.1% trifluoroacetic acid in water).


GENERAL INFORMATION

Title of Dataset: MALDI TOF MS spectra of lipid extracts from bacteria

Authors:

Adrian Arendowski (aarendowski@umk.pl), 1

Ewelina Sibińska, 1

Wioletta Miśta, 2

Piotr Fijałkowski, 1

Michał Złoch, 1

Dorota Gabryś, 2

Paweł Pomastowski, 1

Institutions:

1. Centre for Modern Interdisciplinary Technologies, Nicolaus Copernicus University (Wileńska 4 Str., Toruń 87-100, Poland)

2. Radiotherapy Department, Maria Sklodowska-Curie National Research Institute of Oncology Gliwice Branch (Wybrzeże Armii Krajowej 15 Str., Gliwice 44-102, Poland)

Date of data collection: from 2022-05 to 2023-03

Geographic location of data collection: Poland

Keywords: extracts, lipids, MALDI, mass spectrometry, matrix, microorganisms

Language information: English

Information about funding sources that supported the collection of the data: National Science Center Poland, grant OPUS 20; 2020/39/B/NZ7/02733


SHARING/ACCESS INFORMATION

Licenses/restrictions placed on the data: CC-BY


DATA & FILE OVERVIEW

File List:

1. Positive mode - Folch - TCM.zip (Folder contains mass spectra in .mzXML format of lipid extracts from Escherichia coli, Enterococcus faecalis, Proteus mirabilis and Staphylococcus epidermidis obtained using MALDI TOF MS technique. Lipid profiles were obtained using positive mode (PM); Folch (F) extraction method; chloroform (TCM) as a solvent; 5 matrices - 9-aminoacridine (9AA), α-cyano-4-hydroxycinnamic acid (CHCA), 2,5-dihydroxybenzoic acid (DHB), 2-mercaptobenzothiazole (MBT) and 2,4,6-trihydroxyacetophenone (THAP).)

2. Positive mode - Folch - TA30.zip (Folder contains mass spectra in .mzXML format of lipid extracts from Escherichia coli, Enterococcus faecalis, Proteus mirabilis and Staphylococcus epidermidis obtained using MALDI TOF MS technique. Lipid profiles were obtained using positive mode (PM); Folch (F) extraction method; mixture of acetonitrile and 0.1% trifluoroacetic acid in water (TA30) as a solvent; 5 matrices - 9-aminoacridine (9AA), α-cyano-4-hydroxycinnamic acid (CHCA), 2,5-dihydroxybenzoic acid (DHB), 2-mercaptobenzothiazole (MBT) and 2,4,6-trihydroxyacetophenone (THAP).)

3. Positive mode - Bligh & Dyer - TCM.zip (Folder contains mass spectra in .mzXML format of lipid extracts from Escherichia coli, Enterococcus faecalis, Proteus mirabilis and Staphylococcus epidermidis obtained using MALDI TOF MS technique. Lipid profiles were obtained using positive mode (PM); Bligh & Dyer (BD) extraction method; chloroform (TCM) as a solvent; 5 matrices - 9-aminoacridine (9AA), α-cyano-4-hydroxycinnamic acid (CHCA), 2,5-dihydroxybenzoic acid (DHB), 2-mercaptobenzothiazole (MBT) and 2,4,6-trihydroxyacetophenone (THAP).)

4. Positive mode - Bligh & Dyer - TA30.zip (Folder contains mass spectra in .mzXML format of lipid extracts from Escherichia coli, Enterococcus faecalis, Proteus mirabilis and Staphylococcus epidermidis obtained using MALDI TOF MS technique. Lipid profiles were obtained using positive mode (PM); Bligh & Dyer (BD) extraction method; mixture of acetonitrile and 0.1% trifluoroacetic acid in water (TA30) as a solvent; 5 matrices - 9-aminoacridine (9AA), α-cyano-4-hydroxycinnamic acid (CHCA), 2,5-dihydroxybenzoic acid (DHB), 2-mercaptobenzothiazole (MBT) and 2,4,6-trihydroxyacetophenone (THAP).)

5. Positive mode - Matyash - TCM.zip (Folder contains mass spectra in .mzXML format of lipid extracts from Escherichia coli, Enterococcus faecalis, Proteus mirabilis and Staphylococcus epidermidis obtained using MALDI TOF MS technique. Lipid profiles were obtained using positive mode (PM); Matyash (M) extraction method; chloroform (TCM) as a solvent; 5 matrices - 9-aminoacridine (9AA), α-cyano-4-hydroxycinnamic acid (CHCA), 2,5-dihydroxybenzoic acid (DHB), 2-mercaptobenzothiazole (MBT) and 2,4,6-trihydroxyacetophenone (THAP).)

6. Positive mode - Matyash - TA30.zip (Folder contains mass spectra in .mzXML format of lipid extracts from Escherichia coli, Enterococcus faecalis, Proteus mirabilis and Staphylococcus epidermidis obtained using MALDI TOF MS technique. Lipid profiles were obtained using positive mode (PM); Matyash (M) extraction method; mixture of acetonitrile and 0.1% trifluoroacetic acid in water (TA30) as a solvent; 5 matrices - 9-aminoacridine (9AA), α-cyano-4-hydroxycinnamic acid (CHCA), 2,5-dihydroxybenzoic acid (DHB), 2-mercaptobenzothiazole (MBT) and 2,4,6-trihydroxyacetophenone (THAP).)

7. Negative mode - Folch - TCM.zip (Folder contains mass spectra in .mzXML format of lipid extracts from Escherichia coli, Enterococcus faecalis, Proteus mirabilis and Staphylococcus epidermidis obtained using MALDI TOF MS technique. Lipid profiles were obtained using negative mode (NM); Folch (F) extraction method; chloroform (TCM) as a solvent; 5 matrices - 9-aminoacridine (9AA), α-cyano-4-hydroxycinnamic acid (CHCA), 2,5-dihydroxybenzoic acid (DHB), 2-mercaptobenzothiazole (MBT) and 2,4,6-trihydroxyacetophenone (THAP).)

8. Negative mode - Folch - TA30.zip (Folder contains mass spectra in .mzXML format of lipid extracts from Escherichia coli, Enterococcus faecalis, Proteus mirabilis and Staphylococcus epidermidis obtained using MALDI TOF MS technique. Lipid profiles were obtained using negative mode (NM); Folch (F) extraction method; mixture of acetonitrile and 0.1% trifluoroacetic acid in water (TA30) as a solvent; 5 matrices - 9-aminoacridine (9AA), α-cyano-4-hydroxycinnamic acid (CHCA), 2,5-dihydroxybenzoic acid (DHB), 2-mercaptobenzothiazole (MBT) and 2,4,6-trihydroxyacetophenone (THAP).)

9. Negative mode - Bligh & Dyer - TCM.zip (Folder contains mass spectra in .mzXML format of lipid extracts from Escherichia coli, Enterococcus faecalis, Proteus mirabilis and Staphylococcus epidermidis obtained using MALDI TOF MS technique. Lipid profiles were obtained using negative mode (NM); Bligh & Dyer (BD) extraction method; chloroform (TCM) as a solvent; 5 matrices - 9-aminoacridine (9AA), α-cyano-4-hydroxycinnamic acid (CHCA), 2,5-dihydroxybenzoic acid (DHB), 2-mercaptobenzothiazole (MBT) and 2,4,6-trihydroxyacetophenone (THAP).)

10. Negative mode - Bligh & Dyer - TA30.zip (Folder contains mass spectra in .mzXML format of lipid extracts from Escherichia coli, Enterococcus faecalis, Proteus mirabilis and Staphylococcus epidermidis obtained using MALDI TOF MS technique. Lipid profiles were obtained using negative mode (NM); Bligh & Dyer (BD) extraction method; mixture of acetonitrile and 0.1% trifluoroacetic acid in water (TA30) as a solvent; 5 matrices - 9-aminoacridine (9AA), α-cyano-4-hydroxycinnamic acid (CHCA), 2,5-dihydroxybenzoic acid (DHB), 2-mercaptobenzothiazole (MBT) and 2,4,6-trihydroxyacetophenone (THAP).)

11. Negative mode - Matyash - TCM.zip (Folder contains mass spectra in .mzXML format of lipid extracts from Escherichia coli, Enterococcus faecalis, Proteus mirabilis and Staphylococcus epidermidis obtained using MALDI TOF MS technique. Lipid profiles were obtained using negative mode (NM); Matyash (M) extraction method; chloroform (TCM) as a solvent; 5 matrices - 9-aminoacridine (9AA), α-cyano-4-hydroxycinnamic acid (CHCA), 2,5-dihydroxybenzoic acid (DHB), 2-mercaptobenzothiazole (MBT) and 2,4,6-trihydroxyacetophenone (THAP).)

12. Negative mode - Matyash - TA30.zip (Folder contains mass spectra in .mzXML format of lipid extracts from Escherichia coli, Enterococcus faecalis, Proteus mirabilis and Staphylococcus epidermidis obtained using MALDI TOF MS technique. Lipid profiles were obtained using negative mode (NM); Matyash (M) extraction method; mixture of acetonitrile and 0.1% trifluoroacetic acid in water (TA30) as a solvent; 5 matrices - 9-aminoacridine (9AA), α-cyano-4-hydroxycinnamic acid (CHCA), 2,5-dihydroxybenzoic acid (DHB), 2-mercaptobenzothiazole (MBT) and 2,4,6-trihydroxyacetophenone (THAP).)


METHODOLOGICAL INFORMATION

Description of methods used for collection/generation of data: All methods are described in the article: Adrian Arendowski, Ewelina Sibińska, Wioletta Miśta, Piotr Fijałkowski, Michał Złoch, Dorota Gabryś, Paweł Pomastowski; "Study of sample preparation influence on bacterial lipids profile in matrix-assisted laser desorption/ionization time-of-flight mass spectrometry" Lipids (2024) 59(1), 13-26 (https://doi.org/10.1002/lipd.12383).

Methods for processing the data: MALDI TOF MS spectra of lipid extracts from Staphylococcus epidermidis, Enterococcus faecalis, Escherichia coli and Proteus mirabilis were obtained using a matrix-assisted laser desorption/ionization time-of-flight mass spectrometer Bruker ultrafleXtreme (Bruker Daltonik, Bremen, Germany) in reflector positive-ion mode (PM) and reflector negative-ion mode (NM) in range m/z 100-2000. Lipid profiles were obtained using: 3 extraction methods - Folch (F), Matyash (M), and Bligh & Dyer (BD); 5 matrices - 9-aminoacridine (9AA), α-cyano-4-hydroxycinnamic acid (CHCA), 2,5-dihydroxybenzoic acid (DHB), 2-mercaptobenzothiazole (MBT), and 2,4,6-trihydroxyacetophenone (THAP); 2 solvents - chloroform (TCM), TA30 (mixture of acetonitrile and 0.1% trifluoroacetic acid in water).

Instrument- or software-specific information needed to interpret the data: The files in the folders were saved in .mzXML format, which can be opened using the open source programs "mMass" or "Mass++."

(2024-02-29)
Subject
Chemistry; Medicine, Health and Life Sciences
Keyword

extracts, lipids, MALDI, mass spectrometry, matrix, microorganisms

Related Publication

Adrian Arendowski, Ewelina Sibińska, Wioletta Miśta, Piotr Fijałkowski, Michał Złoch, Dorota Gabryś, Paweł Pomastowski; "Study of sample preparation influence on bacterial lipids profile in matrix-assisted laser desorption/ionization time-of-flight mass spectrometry" Lipids (2024) 59(1), 13-26 https://aocs.onlinelibrary.wiley.com/doi/10.1002/lipd.12383 doi: 10.1002/lipd.12383

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readme.txt
Plain Text - 9.2 KB - Mar 5, 2024 - 4 Downloads
MD5: 0a12d95b5421155dc279767c35ee9d9a
License: CC0 Creative Commons Zero 1.0
This readme file was generated on 2024-02-29 by Adrian Arendowski
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Positive mode - Folch - TCM.zip
ZIP Archive - 73.7 MB - Mar 5, 2024 - 2 Downloads
MD5: ad2746389d83547b14ec7434ce8b23c2
License: CC BY - Creative Commons Attribution 4.0
Mass spectra of lipid extracts from Escherichia coli, Enterococcus faecalis, Proteus mirabilis and Staphylococcus epidermidis obtained using matrix-assisted laser desorption/ionization time-of-flight mass spectrometry (MALDI TOF MS) technique. Lipid profiles were obtained using positive mode (PM); Folch (F) extraction method; chloroform (TCM) as a solvent; 5 matrices - 9-aminoacridine (9AA), α-cyano-4-hydroxycinnamic acid (CHCA), 2,5-dihydroxybenzoic acid (DHB), 2-mercaptobenzothiazole (MBT) and 2,4,6-trihydroxyacetophenone (THAP).
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Positive mode - Folch - TA30.zip
ZIP Archive - 73.8 MB - Mar 5, 2024 - 0 Downloads
MD5: d3fa5e358c2ad47c4d8626e8f4c35844
License: CC BY - Creative Commons Attribution 4.0
Mass spectra of lipid extracts from Escherichia coli, Enterococcus faecalis, Proteus mirabilis and Staphylococcus epidermidis obtained using matrix-assisted laser desorption/ionization time-of-flight mass spectrometry (MALDI TOF MS) technique. Lipid profiles were obtained using positive mode (PM); Folch (F) extraction method; mixture of acetonitrile and 0.1% trifluoroacetic acid in water (TA30) as a solvent; 5 matrices - 9-aminoacridine (9AA), α-cyano-4-hydroxycinnamic acid (CHCA), 2,5-dihydroxybenzoic acid (DHB), 2-mercaptobenzothiazole (MBT) and 2,4,6-trihydroxyacetophenone (THAP).
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Positive mode - Bligh & Dyer - TCM.zip
ZIP Archive - 72.8 MB - Mar 5, 2024 - 0 Downloads
MD5: eac5c8844e11bcb6631d6437f336882b
License: CC BY - Creative Commons Attribution 4.0
Mass spectra of lipid extracts from Escherichia coli, Enterococcus faecalis, Proteus mirabilis and Staphylococcus epidermidis obtained using matrix-assisted laser desorption/ionization time-of-flight mass spectrometry (MALDI TOF MS) technique. Lipid profiles were obtained using positive mode (PM); Bligh & Dyer (BD) extraction method; chloroform (TCM) as a solvent; 5 matrices - 9-aminoacridine (9AA), α-cyano-4-hydroxycinnamic acid (CHCA), 2,5-dihydroxybenzoic acid (DHB), 2-mercaptobenzothiazole (MBT) and 2,4,6-trihydroxyacetophenone (THAP).
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Positive mode - Bligh & Dyer - TA30.zip
ZIP Archive - 72.6 MB - Mar 5, 2024 - 0 Downloads
MD5: 0d621a4205404c794e2d81d620b443f6
License: CC BY - Creative Commons Attribution 4.0
Mass spectra of lipid extracts from Escherichia coli, Enterococcus faecalis, Proteus mirabilis and Staphylococcus epidermidis obtained using matrix-assisted laser desorption/ionization time-of-flight mass spectrometry (MALDI TOF MS) technique. Lipid profiles were obtained using positive mode (PM); Bligh & Dyer (BD) extraction method; mixture of acetonitrile and 0.1% trifluoroacetic acid in water (TA30) as a solvent; 5 matrices - 9-aminoacridine (9AA), α-cyano-4-hydroxycinnamic acid (CHCA), 2,5-dihydroxybenzoic acid (DHB), 2-mercaptobenzothiazole (MBT) and 2,4,6-trihydroxyacetophenone (THAP).
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Positive mode - Matyash - TCM.zip
ZIP Archive - 71.7 MB - Mar 5, 2024 - 1 Download
MD5: 4bf083d00c4f807eae5954a9f81fec11
License: CC BY - Creative Commons Attribution 4.0
Mass spectra of lipid extracts from Escherichia coli, Enterococcus faecalis, Proteus mirabilis and Staphylococcus epidermidis obtained using matrix-assisted laser desorption/ionization time-of-flight mass spectrometry (MALDI TOF MS) technique. Lipid profiles were obtained using positive mode (PM); Matyash (M) extraction method; chloroform (TCM) as a solvent; 5 matrices - 9-aminoacridine (9AA), α-cyano-4-hydroxycinnamic acid (CHCA), 2,5-dihydroxybenzoic acid (DHB), 2-mercaptobenzothiazole (MBT) and 2,4,6-trihydroxyacetophenone (THAP).
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Positive mode - Matyash - TA30.zip
ZIP Archive - 71.6 MB - Mar 5, 2024 - 0 Downloads
MD5: 88a1851686591e3ab84223e0f7dc4345
License: CC BY - Creative Commons Attribution 4.0
Mass spectra of lipid extracts from Escherichia coli, Enterococcus faecalis, Proteus mirabilis and Staphylococcus epidermidis obtained using matrix-assisted laser desorption/ionization time-of-flight mass spectrometry (MALDI TOF MS) technique. Lipid profiles were obtained using positive mode (PM); Matyash (M) extraction method; mixture of acetonitrile and 0.1% trifluoroacetic acid in water (TA30) as a solvent; 5 matrices - 9-aminoacridine (9AA), α-cyano-4-hydroxycinnamic acid (CHCA), 2,5-dihydroxybenzoic acid (DHB), 2-mercaptobenzothiazole (MBT) and 2,4,6-trihydroxyacetophenone (THAP).
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Negative mode - Folch - TCM.zip
ZIP Archive - 81.3 MB - Mar 5, 2024 - 0 Downloads
MD5: a6a110823303ee873dec8428be3aeb4e
License: CC BY - Creative Commons Attribution 4.0
Mass spectra of lipid extracts from Escherichia coli, Enterococcus faecalis, Proteus mirabilis and Staphylococcus epidermidis obtained using matrix-assisted laser desorption/ionization time-of-flight mass spectrometry (MALDI TOF MS) technique. Lipid profiles were obtained using negative mode (NM); Folch (F) extraction method; chloroform (TCM) as a solvent; 5 matrices - 9-aminoacridine (9AA), α-cyano-4-hydroxycinnamic acid (CHCA), 2,5-dihydroxybenzoic acid (DHB), 2-mercaptobenzothiazole (MBT) and 2,4,6-trihydroxyacetophenone (THAP).
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Negative mode - Folch - TA30.zip
ZIP Archive - 81.3 MB - Mar 5, 2024 - 1 Download
MD5: 8f56782e7ce142a44ec62accb072ddfd
License: CC BY - Creative Commons Attribution 4.0
Mass spectra of lipid extracts from Escherichia coli, Enterococcus faecalis, Proteus mirabilis and Staphylococcus epidermidis obtained using matrix-assisted laser desorption/ionization time-of-flight mass spectrometry (MALDI TOF MS) technique. Lipid profiles were obtained using negative mode (NM); Folch (F) extraction method; mixture of acetonitrile and 0.1% trifluoroacetic acid in water (TA30) as a solvent; 5 matrices - 9-aminoacridine (9AA), α-cyano-4-hydroxycinnamic acid (CHCA), 2,5-dihydroxybenzoic acid (DHB), 2-mercaptobenzothiazole (MBT) and 2,4,6-trihydroxyacetophenone (THAP).
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Negative mode - Bligh & Dyer - TCM.zip
ZIP Archive - 79.8 MB - Mar 5, 2024 - 0 Downloads
MD5: 3f18a68e09409822ca1f13890ec588b6
License: CC BY - Creative Commons Attribution 4.0
Mass spectra of lipid extracts from Escherichia coli, Enterococcus faecalis, Proteus mirabilis and Staphylococcus epidermidis obtained using matrix-assisted laser desorption/ionization time-of-flight mass spectrometry (MALDI TOF MS) technique. Lipid profiles were obtained using negative mode (NM); Bligh & Dyer (BD) extraction method; chloroform (TCM) as a solvent; 5 matrices - 9-aminoacridine (9AA), α-cyano-4-hydroxycinnamic acid (CHCA), 2,5-dihydroxybenzoic acid (DHB), 2-mercaptobenzothiazole (MBT) and 2,4,6-trihydroxyacetophenone (THAP).
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