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MSMLS

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Charles M Nichols et al.
Analytical chemistry, 90(24), 14484-14492 (2018-11-20)
In this work, we established a collision cross section (CCS) library of primary metabolites based on analytical standards in the Mass Spectrometry Metabolite Library of Standards (MSMLS) using a commercially available ion mobility-mass spectrometer (IM-MS). From the 554 unique compounds
Fernando Vargas et al.
Rapid communications in mass spectrometry : RCM, 34(10), e8725-e8725 (2020-01-14)
A major hurdle in identifying chemicals in mass spectrometry experiments is the availability of tandem mass spectrometry (MS/MS) reference spectra in public databases. Currently, scientists purchase databases or use public databases such as Global Natural Products Social Molecular Networking (GNPS).
A three-minute method for high-throughput quantitative metabolomics and quantitative tracing experiments of central carbon and nitrogen pathways.
Nemkov T, et al.
Rapid Communications in Mass Spectrometry, 31(8), 663-673 (2017)
Pradeep Narayanaswamy et al.
Molecular omics, 16(5), 436-447 (2020-06-11)
We have developed MetaboKit, a comprehensive software package for compound identification and relative quantification in mass spectrometry-based untargeted metabolomics analysis. In data dependent acquisition (DDA) analysis, MetaboKit constructs a customized spectral library with compound identities from reference spectral libraries, adducts
Matthieu Bergé et al.
eLife, 9 (2020-03-10)
Proliferating cells must coordinate central metabolism with the cell cycle. How central energy metabolism regulates bacterial cell cycle functions is not well understood. Our forward genetic selection unearthed the Krebs cycle enzyme citrate synthase (CitA) as a checkpoint regulator controlling
Federica Fiorini et al.
Marine drugs, 18(6) (2020-06-18)
Pseudo-nitzschia multistriata is a planktonic marine diatom with a diplontic life cycle comprising a short sexual phase, during which gametes are produced following the encounter of two diploid cells of opposite mating type (MT). Gene expression studies have highlighted the
Grégory Pimentel et al.
The Journal of nutrition, 148(6), 851-860 (2018-05-23)
Fermentation is a widely used method of natural food preservation that has consequences on the nutritional value of the transformed food. Fermented dairy products are increasingly investigated in view of their ability to exert health benefits beyond their nutritional qualities.
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Julian Pezzatti et al.
Journal of chromatography. A, 1592, 47-54 (2019-01-28)
Since the ultimate goal of untargeted metabolomics is the analysis of the broadest possible range of metabolites, some new metrics have to be used by researchers to evaluate and select different analytical strategies when multi-platform analyses are considered. In this
Tobias Depke et al.
Journal of chromatography. B, Analytical technologies in the biomedical and life sciences, 1071, 19-28 (2017-06-24)
Pseudomonas aeruginosa is an important opportunistic pathogen that produces a large arsenal of small molecule virulence factors and quorum sensing signal molecules. The annotation of these secondary metabolites in untargeted, mass spectrometry-based metabolomics is difficult, as many of them cannot
Víctor González-Ruiz et al.
Journal of chromatography. A, 1527, 53-60 (2017-11-07)
This work introduces a strategy for decomposing variable contributions within the data obtained from structured metabolomic studies. This approach was applied in the context of an in vitro human neural model to investigate biochemical changes related to neuroinflammation. Neural cells
Cuiling Zhong et al.
Nature communications, 11(1), 6330-6330 (2020-12-12)
Endothelial cell (EC) metabolism is thought to be one of the driving forces for angiogenesis. Here we report the identification of the hexosamine D-mannosamine (ManN) as an EC mitogen and survival factor for bovine and human microvascular EC, with an
Víctor González-Ruiz et al.
Metabolites, 9(4) (2019-04-27)
Toxicology studies can take advantage of omics approaches to better understand the phenomena underlying the phenotypic alterations induced by different types of exposure to certain toxicants. Nevertheless, in order to analyse the data generated from multifactorial omics studies, dedicated data
Julica Folberth et al.
Journal of chromatography. B, Analytical technologies in the biomedical and life sciences, 1145, 122105-122105 (2020-04-20)
As part of the "omics" technologies in the life sciences, metabolomics is becoming increasingly important. In untargeted metabolomics, unambiguous metabolite identification and the inevitable coverage bias that comes with the selection of analytical conditions present major challenges. Reliable compound annotation
Gioacchino Luca Losacco et al.
Journal of chromatography. A, 1620, 461021-461021 (2020-03-18)
In this work, the impact of biological matrices, such as plasma and urine, was evaluated under SFCHRMS in the field of metabolomics. For this purpose, a representative set of 49 metabolites were selected. The assessment of the matrix effects (ME)
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