MetFrag relaunched: incorporating strategies beyond in silico fragmentation
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Current and Future Perspectives on the Structural Identification of Small Molecules in Biological SystemsCritical Assessment of Small Molecule Identification 2016: automated methods.Comprehensive identification of sphingolipid species by in silico retention time and tandem mass spectral libraryMetabolites contributing to Rhizoctonia solani AG-1-IA maturation and sclerotial differentiation revealed by UPLC-QTOF-MS metabolomics.From chromatogram to analyte to metabolite. How to pick horses for courses from the massive web-resources for mass spectral plant metabolomicsLIQUID: an-open source software for identifying lipids in LC-MS/MS-based lipidomics data.An expanded conceptual framework for solution-focused management of chemical pollution in European waters.Computational Metabolomics: A Framework for the Million Metabolome.Differentiating signals to make biological sense - A guide through databases for MS-based non-targeted metabolomics.Ultra high performance liquid chromatography with tandem mass spectrometry for rapid separation and identification of main constituents in Chinese herbal formula Xuan Hu Suo San.Integrating ion mobility spectrometry into mass spectrometry-based exposome measurements: what can it add and how far can it go?Identifying known unknowns using the US EPA's CompTox Chemistry Dashboard.Epimetabolites: discovering metabolism beyond building and burning.Methodology for non-target screening of sewage sludge using comprehensive two-dimensional gas chromatography coupled to high-resolution mass spectrometryNavigating freely-available software tools for metabolomics analysis.Comprehensive comparison of in silico MS/MS fragmentation tools of the CASMI contest: database boosting is needed to achieve 93% accuracy.The CompTox Chemistry Dashboard: a community data resource for environmental chemistry.Annotation: A Computational Solution for Streamlining Metabolomics Analysis.Significance estimation for large scale metabolomics annotations by spectral matching.Disentangling metabolic functions of bacteria in the honey bee gut.Resources and tools for the high-throughput, multi-omic study of intestinal microbiota.Characterizing the lipid and metabolite changes associated with placental function and pregnancy complications using ion mobility spectrometry-mass spectrometry and mass spectrometry imaging.METLIN: A Technology Platform for Identifying Knowns and Unknowns.Using In Silico Fragmentation to Improve Routine Residue Screening in Complex Matrices.Compound annotation in liquid chromatography/high-resolution mass spectrometry based metabolomics: robust adduct ion determination as a prerequisite to structure prediction in electrospray ionization mass spectra.UPLC-QTOF-MS metabolomics analysis revealed the contributions of metabolites to the pathogenesis of Rhizoctonia solani strain AG-1-IA.Enhanced Isotopic Ratio Outlier Analysis (IROA) Peak Detection and Identification with Ultra-High Resolution GC-Orbitrap/MS: Potential Application for Investigation of Model Organism Metabolomes.Structure Elucidation of Unknown Metabolites in Metabolomics by Combined NMR and MS/MS Prediction.Promising Metabolite Profiles in the Plasma and CSF of Early Clinical Parkinson's Disease.High-Throughput Effect-Directed Analysis Using Downscaled in Vitro Reporter Gene Assays To Identify Endocrine Disruptors in Surface Water.Propagating annotations of molecular networks using in silico fragmentation.A comparison of three liquid chromatography (LC) retention time prediction models.Metabolomic Profiles for Primary Progressive Multiple Sclerosis Stratification and Disease Course Monitoring.Bayesian networks for mass spectrometric metabolite identification via molecular fingerprints.“MS-Ready” structures for non-targeted high-resolution mass spectrometry screening studiesSoftware Tools and Approaches for Compound Identification of LC-MS/MS Data in MetabolomicsGut Microbial and Metabolic Responses to Salmonella enterica Serovar Typhimurium and Candida albicansUnravelling the Distribution of Secondary Metabolites in L.: Exhaustive Characterization of Eight Olive-Tree Derived Matrices by Complementary Platforms (LC-ESI/APCI-MS and GC-APCI-MS)Comparison of Vacuum MALDI and AP-MALDI Platforms for the Mass Spectrometry Imaging of Metabolites Involved in Salt Stress inMain Human Urinary Metabolites after Genipap ( L.) Juice Intake
P2860
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P2860
MetFrag relaunched: incorporating strategies beyond in silico fragmentation
description
2016 nî lūn-bûn
@nan
2016 թուականի Յունուարին հրատարակուած գիտական յօդուած
@hyw
2016 թվականի հունվարին հրատարակված գիտական հոդված
@hy
2016年の論文
@ja
2016年論文
@yue
2016年論文
@zh-hant
2016年論文
@zh-hk
2016年論文
@zh-mo
2016年論文
@zh-tw
2016年论文
@wuu
name
MetFrag relaunched: incorporating strategies beyond in silico fragmentation
@ast
MetFrag relaunched: incorporating strategies beyond in silico fragmentation
@en
MetFrag relaunched: incorporating strategies beyond in silico fragmentation
@nl
type
label
MetFrag relaunched: incorporating strategies beyond in silico fragmentation
@ast
MetFrag relaunched: incorporating strategies beyond in silico fragmentation
@en
MetFrag relaunched: incorporating strategies beyond in silico fragmentation
@nl
prefLabel
MetFrag relaunched: incorporating strategies beyond in silico fragmentation
@ast
MetFrag relaunched: incorporating strategies beyond in silico fragmentation
@en
MetFrag relaunched: incorporating strategies beyond in silico fragmentation
@nl
P2860
P50
P921
P1476
MetFrag relaunched: incorporating strategies beyond in silico fragmentation
@en
P2093
Sebastian Wolf
P2860
P2888
P356
10.1186/S13321-016-0115-9
P577
2016-01-29T00:00:00Z
P6179
1050554722