Cargando…

An in silico MS/MS library for automatic annotation of novel FAHFA lipids

BACKGROUND: A new lipid class named ‘fatty acid esters of hydroxyl fatty acids’ (FAHFA) was recently discovered in mammalian adipose tissue and in blood plasma and some FAHFAs were found to be associated with type 2 diabetes. To facilitate the automatic annotation of FAHFAs in biological specimens,...

Descripción completa

Detalles Bibliográficos
Autores principales:	Ma, Yan, Kind, Tobias, Vaniya, Arpana, Gennity, Ingrid, Fahrmann, Johannes F., Fiehn, Oliver
Formato:	Online Artículo Texto
Lenguaje:	English
Publicado:	Springer International Publishing 2015
Materias:	Research Article
Acceso en línea:	https://www.ncbi.nlm.nih.gov/pmc/articles/PMC4646931/ https://www.ncbi.nlm.nih.gov/pubmed/26579213 http://dx.doi.org/10.1186/s13321-015-0104-4

Ejemplares similares

MS2Analyzer: A Software for Small Molecule Substructure Annotations from Accurate Tandem Mass Spectra
por: Ma, Yan, et al.
Publicado: (2014)

LipidBlast Templates As Flexible Tools for Creating New in-Silico Tandem Mass Spectral Libraries
por: Kind, Tobias, et al.
Publicado: (2014)

Software Tools and Approaches for Compound Identification of LC-MS/MS Data in Metabolomics
por: Blaženović, Ivana, et al.
Publicado: (2018)

Comprehensive comparison of in silico MS/MS fragmentation tools of the CASMI contest: database boosting is needed to achieve 93% accuracy
por: Blaženović, Ivana, et al.
Publicado: (2017)

MS-DIAL: Data Independent MS/MS Deconvolution for Comprehensive Metabolome Analysis
por: Tsugawa, Hiroshi, et al.
Publicado: (2015)

Fatty Acyl Esters of Hydroxy Fatty Acid (FAHFA) Lipid Families
por: Wood, Paul L.
Publicado: (2020)

LipidBlast - in-silico tandem mass spectrometry database for lipid identification
por: Kind, Tobias, et al.
Publicado: (2013)

SMITER—A Python Library for the Simulation of LC-MS/MS Experiments
por: Kösters, Manuel, et al.
Publicado: (2021)

Gender-based heterogeneity of FAHFAs in trained runners
por: Nelson, Alisa B., et al.
Publicado: (2023)

Adipose triglyceride lipase: the first transacylase for FAHFAs
por: Wang, Juan, et al.
Publicado: (2023)

Metabolomic database annotations via query of elemental compositions: Mass accuracy is insufficient even at less than 1 ppm
por: Kind, Tobias, et al.
Publicado: (2006)

Distinctive Patterns of Flavonoid Biosynthesis in Roots and Nodules of Datisca glomerata and Medicago spp. Revealed by Metabolomic and Gene Expression Profiles
por: Gifford, Isaac, et al.
Publicado: (2018)

Augmentation of MS/MS Libraries with Spectral Interpolation for Improved Identification
por: King, Ethan, et al.
Publicado: (2022)

Expert System for Computer-assisted Annotation of MS/MS Spectra
por: Neuhauser, Nadin, et al.
Publicado: (2012)

metID: an R package for automatable compound annotation for LC−MS-based data
por: Shen, Xiaotao, et al.
Publicado: (2021)

Organization of GC/MS and LC/MS metabolomics data into chemical libraries
por: DeHaven, Corey D, et al.
Publicado: (2010)

Annotating Nontargeted LC-HRMS/MS Data with Two Complementary Tandem Mass Spectral Libraries
por: Oberacher, Herbert, et al.
Publicado: (2018)

Predicting in silico electron ionization mass spectra using quantum chemistry
por: Wang, Shunyang, et al.
Publicado: (2020)

Artifactual FA dimers mimic FAHFA signals in untargeted metabolomics pipelines
por: Nelson, Alisa B., et al.
Publicado: (2022)

Linking in silico MS/MS spectra with chemistry data to improve identification of unknowns
por: McEachran, Andrew D., et al.
Publicado: (2019)

MS/MS library facilitated MRM quantification of native peptides prepared by denaturing ultrafiltration
por: Lenco, Juraj, et al.
Publicado: (2012)

Combination of Structure Databases, In Silico Fragmentation, and MS/MS Libraries for Untargeted Screening of Non-Volatile Migrants from Recycled High-Density Polyethylene Milk Bottles
por: Su, Qi-Zhi, et al.
Publicado: (2023)

Lipidomics Revealed Aberrant Metabolism of Lipids Including FAHFAs in Renal Tissue in the Progression of Lupus Nephritis in a Murine Model
por: Hu, Changfeng, et al.
Publicado: (2021)

Lipid Discovery by Combinatorial Screening and Untargeted LC-MS/MS
por: Bilgin, Mesut, et al.
Publicado: (2016)

AIG1 and ADTRP are Atypical Integral Membrane Hydrolases that Degrade Bioactive FAHFAs
por: Parsons, William H, et al.
Publicado: (2016)

MS/MS spectral tag-based annotation of non-targeted profile of plant secondary metabolites
por: Matsuda, Fumio, et al.
Publicado: (2009)

High Throughput Semiquantitative UHPSFC–MS/MS Lipid Profiling and Lipid Class Determination
por: Bartosova, Zdenka, et al.
Publicado: (2021)

Unequivocal Mapping of Molecular Ether Lipid Species by LC–MS/MS in Plasmalogen-Deficient Mice
por: Koch, Jakob, et al.
Publicado: (2020)

Metabolic Footprinting of Microbial Systems Based on Comprehensive In Silico Predictions of MS/MS Relevant Data
por: Reiter, Alexander, et al.
Publicado: (2022)

Conocarpus lancifolius (Combretaceae): Pharmacological Effects, LC-ESI-MS/MS Profiling and In Silico Attributes
por: Khurm, Muhammad, et al.
Publicado: (2023)

Fatty Acid Esters of Hydroxy Fatty Acids (FAHFAs) Are Associated With Diet, BMI, and Age
por: Kellerer, Teresa, et al.
Publicado: (2021)

Acute aerobic exercise reveals that FAHFAs distinguish the metabolomes of overweight and normal-weight runners
por: Nelson, Alisa B., et al.
Publicado: (2022)

Generating high quality libraries for DIA MS with empirically corrected peptide predictions
por: Searle, Brian C., et al.
Publicado: (2020)

Lipid remodeling in response to methionine stress in MDA-MBA-468 triple-negative breast cancer cells
por: Borrego, Stacey L., et al.
Publicado: (2021)

In-Vivo Antidiabetic Activity and In-Silico Mode of Action of LC/MS-MS Identified Flavonoids in Oleaster Leaves
por: Mechchate, Hamza, et al.
Publicado: (2020)

Phytoecdysteroids and Anabolic Effect of Atriplex dimorphostegia: UPLC-PDA-MS/MS Profiling, In Silico and In Vivo Models
por: Zaghloul, Eman, et al.
Publicado: (2023)

OrbiFragsNets. A tool for automatic annotation of orbitrap MS2 spectra using networks grade as selection criteria
por: Chingate, Edwin, et al.
Publicado: (2023)

Critical Assessment of Small Molecule Identification 2016: automated methods
por: Schymanski, Emma L., et al.
Publicado: (2017)

Comparing Targeted vs. Untargeted MS(2) Data-Dependent Acquisition for Peak Annotation in LC–MS Metabolomics
por: Ten-Doménech, Isabel, et al.
Publicado: (2020)

Computational Expansion of High-Resolution-MS(n) Spectral Libraries
por: Lieng, Brandon Y., et al.
Publicado: (2023)

Cannot write session to /tmp/vufind_sessions/sess_lrhiscq5k4nm4dtdvnn1s571c5