Combination of UHPLC-MS/MS-molecular networking approach and FTICR-MS for the metabolic profiling of Saccharomyces cerevisiae

Perruchon, Olivier; Schmitz-Afonso, Isabelle; Grondin, Cécile; Casarégola, Serge; Afonso, Carlos; Elomri, Abdelhakim

doi:10.1016/j.jpba.2020.113857

Cited by 5 publications

(5 citation statements)

References 31 publications

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“…kourouensis and 128 detected features for S. cerevisiae . The analytical workflow was identical, but the analysis and interpretation workflow have been improved on the instrumentation part (ionization parameters) on the FTICR-MS data treatment and in the annotation process (by the addition of the NAP and the MolDiscovery tools, the refinement of annotation investigation, among others).…”

Section: Resultsmentioning

confidence: 99%

“…The extraction protocol was already used in previous studies and was chosen for its efficiency in the extraction of various ranges of intracellular small molecules, including secondary metabolites . For each yeast culture (or control culture medium), the agar medium with or without the yeast colonies was placed in a glass bottle.…”

Section: Methodsmentioning

confidence: 99%

“…1/10,000 diluted samples were directly injected and ionized with an electrospray ionization source operated in positive and in negative ionization modes. Previous studies inspired the source and analyzer parameters that guarantee sensitive and robust analyses , (Table S1). A resolution of 600,000 at m / z 200 was reached.…”

Section: Methodsmentioning

confidence: 99%

“…The goal was to observe both original species production capacities, as they never have been explored before, compare them with each other, with other Starmerella yeasts, and also with S. cerevisiae (which also belongs to the order of Saccharomycetales) from a previous study …”

Section: Introductionmentioning

confidence: 99%

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Metabolome Exploration by High-Resolution Mass Spectrometry Methodologies of Two New Yeast Species: Starmerella reginensis and Starmerella kourouensis

Perruchon

Schmitz-Afonso

Grondin

et al. 2021

J. Agric. Food Chem.

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Nature is harnessed since ancient times to fulfill human needs, and yeast culture has been mastered for bakery, brewery, or the preparation of beverages. In this context, the two recently discovered yeast species Starmerella reginensis and Starmerella kourouensis, belonging to a genus related to fermentative activities in the literature, were explored via untargeted metabolomics approaches. Ultrahigh-performance liquid chromatography hyphenated with tandem mass spectrometry and a deep investigation of molecular networks and spectral data allowed the annotation of, respectively, 439 and 513 metabolites for S. reginensis and S. kourouensis, with approximatively 30% compound annotations and 40% chemical class annotations for both yeast strains. These analyses and Fourier transform ion cyclotron resonance mass spectrometry accurate metabolic profiles unveiled a rich content of alkaloids, lipids, amino acids, and terpenoids for S. reginensis. S. kourouensis presents a similar profile with more sulfated compounds. In short, these results enrich the current knowledge about Starmerella yeast secondary metabolites and reveal their significant structural diversity of small molecules.

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Section: Resultsmentioning

confidence: 99%

Section: Methodsmentioning

confidence: 99%

Section: Methodsmentioning

confidence: 99%

Section: Introductionmentioning

confidence: 99%

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Metabolome Exploration by High-Resolution Mass Spectrometry Methodologies of Two New Yeast Species: Starmerella reginensis and Starmerella kourouensis

Perruchon

Schmitz-Afonso

Grondin

et al. 2021

J. Agric. Food Chem.

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“…Although scientists have performed metabolomics research on yeast for years, few have used MS 2 spectra for compound identification 16 , 17 . Perruchon et al 18 identified about 50 compounds with MS 2 spectra from S. cerevisiae using a mass spectrometer that does not collect MS 2 spectra as quickly as the Exploris 240. Rampler et al 19 found 206 metabolites from Pichia pastoris , another yeast species, on a Q-Exactive (an older generation Orbitrap) using CD3.1 (an older version).…”

Section: Discussionmentioning

confidence: 99%

An assessment of AcquireX and Compound Discoverer software 3.3 for non-targeted metabolomics

Cooper,

Yang

2024

Sci Rep

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We used the Exploris 240 mass spectrometer for non-targeted metabolomics on Saccharomyces cerevisiae strain BY4741 and tested AcquireX software for increasing the number of detectable compounds and Compound Discoverer 3.3 software for identifying compounds by MS2 spectral library matching. AcquireX increased the number of potentially identifiable compounds by 50% through six iterations of MS2 acquisition. On the basis of high-scoring MS2 matches made by Compound Discoverer, there were 483 compounds putatively identified from nearly 8000 candidate spectra. Comparisons to 20 amino acid standards, however, revealed instances whereby compound matches could be incorrect despite strong scores. Situations included the candidate with the top score not being the correct compound, matching the same compound at two different chromatographic peaks, assigning the highest score to a library compound much heavier than the mass for the parent ion, and grouping MS2 isomers to a single parent ion. Because the software does not calculate false positive and false discovery rates at these multiple levels where such errors can propagate, we conclude that manual examination of findings will be required post software analysis. These results will interest scientists who may use this platform for metabolomics research in diverse disciplines including medical science, environmental science, and agriculture.

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Lipidome of Acinetobacter baumannii antibiotic persister cells

Vergoz,

Schaumann,

Schmitz

et al. 2024

Biochimica et Biophysica Acta (BBA) - Molecular and Cell Biolog

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Combination of UHPLC-MS/MS-molecular networking approach and FTICR-MS for the metabolic profiling of Saccharomyces cerevisiae

Cited by 5 publications

References 31 publications

Metabolome Exploration by High-Resolution Mass Spectrometry Methodologies of Two New Yeast Species: Starmerella reginensis and Starmerella kourouensis

Metabolome Exploration by High-Resolution Mass Spectrometry Methodologies of Two New Yeast Species: Starmerella reginensis and Starmerella kourouensis

An assessment of AcquireX and Compound Discoverer software 3.3 for non-targeted metabolomics

Lipidome of Acinetobacter baumannii antibiotic persister cells

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