In silico fragmentation for computer assisted identification of metabolite mass spectra
about
Metabolomics methods for the synthetic biology of secondary metabolismChemical structure identification in metabolomics: computational modeling of experimental featuresMetFrag relaunched: incorporating strategies beyond in silico fragmentationMINEs: open access databases of computationally predicted enzyme promiscuity products for untargeted metabolomicsComputational mass spectrometry for small moleculesAutomatic recalibration and processing of tandem mass spectra using formula annotationMass appeal: metabolite identification in mass spectrometry-focused untargeted metabolomicsFragmentation trees reloadedDecoding and Discrimination of Chemical Cues and Signals: Avoidance of Predation and Competition during Parental Care Behavior in Sympatric Poison FrogsMultifaceted investigation of metabolites during nitrogen fixation in Medicago via high resolution MALDI-MS imaging and ESI-MSCASMI: And the Winner is . .Advances in structure elucidation of small molecules using mass spectrometrySponge exhalent seawater contains a unique chemical profile of dissolved organic matterIdentification of Anthropogenic Compounds in Urban Environments and Evaluation of Automated Methods for Reading Fragmentation-A Case of River WaterDevelopment of Database Assisted Structure Identification (DASI) Methods for Nontargeted MetabolomicsTrends in the application of high-resolution mass spectrometry for human biomonitoring: An analytical primer to studying the environmental chemical space of the human exposomeThe Chemistry Development Kit (CDK) v2.0: atom typing, depiction, molecular formulas, and substructure searchingAnnotation of metabolites from gas chromatography/atmospheric pressure chemical ionization tandem mass spectrometry data using an in silico generated compound database and MetFrag.Tackling CASMI 2012: Solutions from MetFrag and MetFusionThe Critical Assessment of Small Molecule Identification (CASMI): Challenges and Solutions.Open-access metabolomics databases for natural product research: present capabilities and future potential.Fragment formula calculator (FFC): determination of chemical formulas for fragment ions in mass spectrometric data.Mass spectrometry in plant metabolomics strategies: from analytical platforms to data acquisition and processing.LC-MS metabolomics from study design to data-analysis - using a versatile pathogen as a test case.MetAssign: probabilistic annotation of metabolites from LC-MS data using a Bayesian clustering approach.MetaDB a Data Processing Workflow in Untargeted MS-Based Metabolomics Experiments.Extending P450 site-of-metabolism models with region-resolution data.Enhanced acylcarnitine annotation in high-resolution mass spectrometry data: fragmentation analysis for the classification and annotation of acylcarnitines.Automatic Compound Annotation from Mass Spectrometry Data Using MAGMa.Optimization of LC-Orbitrap-HRMS acquisition and MZmine 2 data processing for nontarget screening of environmental samples using design of experiments.Targeted and non-targeted drug screening in whole blood by UHPLC-TOF-MS with data-independent acquisition.Recent Advance in Liquid Chromatography/Mass Spectrometry Techniques for Environmental Analysis in Japan.FlavonoidSearch: A system for comprehensive flavonoid annotation by mass spectrometryStable isotope-labeling studies in metabolomics: new insights into structure and dynamics of metabolic networks.Evaluating plant immunity using mass spectrometry-based metabolomics workflows.Metabolomics applied to urine samples in childhood asthma; differentiation between asthma phenotypes and identification of relevant metabolites.Automated workflows for accurate mass-based putative metabolite identification in LC/MS-derived metabolomic datasets.Bioinformatics Tools for Mass Spectroscopy-Based Metabolomic Data Processing and Analysis.Is nontarget screening of emerging contaminants by LC-HRMS successful? A plea for compound libraries and computer tools.In silico identification software (ISIS): a machine learning approach to tandem mass spectral identification of lipids.
P2860
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P2860
In silico fragmentation for computer assisted identification of metabolite mass spectra
description
2010 nî lūn-bûn
@nan
2010 թուականին հրատարակուած գիտական յօդուած
@hyw
2010 թվականին հրատարակված գիտական հոդված
@hy
2010年の論文
@ja
2010年論文
@yue
2010年論文
@zh-hant
2010年論文
@zh-hk
2010年論文
@zh-mo
2010年論文
@zh-tw
2010年论文
@wuu
name
In silico fragmentation for computer assisted identification of metabolite mass spectra
@ast
In silico fragmentation for computer assisted identification of metabolite mass spectra
@en
In silico fragmentation for computer assisted identification of metabolite mass spectra
@en-gb
In silico fragmentation for computer assisted identification of metabolite mass spectra
@nl
type
label
In silico fragmentation for computer assisted identification of metabolite mass spectra
@ast
In silico fragmentation for computer assisted identification of metabolite mass spectra
@en
In silico fragmentation for computer assisted identification of metabolite mass spectra
@en-gb
In silico fragmentation for computer assisted identification of metabolite mass spectra
@nl
prefLabel
In silico fragmentation for computer assisted identification of metabolite mass spectra
@ast
In silico fragmentation for computer assisted identification of metabolite mass spectra
@en
In silico fragmentation for computer assisted identification of metabolite mass spectra
@en-gb
In silico fragmentation for computer assisted identification of metabolite mass spectra
@nl
P2860
P3181
P356
P1433
P1476
In silico fragmentation for computer assisted identification of metabolite mass spectra
@en
P2093
Sebastian Wolf
Stephan Schmidt
P2860
P2888
P3181
P356
10.1186/1471-2105-11-148
P407
P577
2010-01-01T00:00:00Z
P5875
P6179
1048363616