about
Fragmentation trees reloadedTrends in the application of high-resolution mass spectrometry for human biomonitoring: An analytical primer to studying the environmental chemical space of the human exposomeOpen-access metabolomics databases for natural product research: present capabilities and future potential.Identification of lipophilic bioproduct portfolio from bioreactor samples of extreme halophilic archaea with HPLC-MS/MS.Towards automated discrimination of lipids versus peptides from full scan mass spectra.Functional genomics of novel secondary metabolites from diverse cyanobacteria using untargeted metabolomics.New kids on the block: novel informatics methods for natural product discovery.Computational analyses of spectral trees from electrospray multi-stage mass spectrometry to aid metabolite identificationUsing fragmentation trees and mass spectral trees for identifying unknown compounds in metabolomics.Searching molecular structure databases with tandem mass spectra using CSI:FingerID.BRAIN 2.0: time and memory complexity improvements in the algorithm for calculating the isotope distribution.Modern plant metabolomics: advanced natural product gene discoveries, improved technologies, and future prospects.Non-target screening with high-resolution mass spectrometry: critical review using a collaborative trial on water analysis.Metabolite identification through multiple kernel learning on fragmentation trees.Elucidating the Structure of N1-Acetylisoputreanine: A Novel Polyamine Catabolite in Human Urine.Technical Challenges in Mass Spectrometry-Based Metabolomics.Understanding collision-induced dissociation of dofetilide: a case study in the application of density functional theory as an aid to mass spectral interpretation.Chemometric and high-resolution mass spectrometry tools for the characterization and comparison of raw and treated wastewater samples of a pilot plant on the SIPIBEL site.A tutorial in small molecule identification via electrospray ionization-mass spectrometry: The practical art of structural elucidation.Using In Silico Fragmentation to Improve Routine Residue Screening in Complex Matrices.Identification and Partial Structural Characterization of Mass Isolated Valsartan and Its Metabolite with Messenger Tagging Vibrational Spectroscopy.InSourcerer: a high-throughput method to search for unknown metabolite modifications by mass spectrometry.CASMI 2016: A manual approach for dereplication of natural products using tandem mass spectrometry.Isotope-labeled differential profiling of metabolites using N-benzoyloxysuccinimide derivatization coupled to liquid chromatography/high-resolution tandem mass spectrometry.Quantum chemical mass spectrometry: ab initio prediction of electron ionization mass spectra and identification of new fragmentation pathways.SIMPLE: Sparse Interaction Model over Peaks of moLEcules for fast, interpretable metabolite identification from tandem mass spectra.Software Tools and Approaches for Compound Identification of LC-MS/MS Data in MetabolomicsDereplication of microbial metabolites through database search of mass spectra
P2860
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P2860
description
2013 nî lūn-bûn
@nan
2013 թուականի Մարտին հրատարակուած գիտական յօդուած
@hyw
2013 թվականի մարտին հրատարակված գիտական հոդված
@hy
2013年の論文
@ja
2013年論文
@yue
2013年論文
@zh-hant
2013年論文
@zh-hk
2013年論文
@zh-mo
2013年論文
@zh-tw
2013年论文
@wuu
name
Computational mass spectrometry for small molecules
@ast
Computational mass spectrometry for small molecules
@en
Computational mass spectrometry for small molecules
@nl
type
label
Computational mass spectrometry for small molecules
@ast
Computational mass spectrometry for small molecules
@en
Computational mass spectrometry for small molecules
@nl
prefLabel
Computational mass spectrometry for small molecules
@ast
Computational mass spectrometry for small molecules
@en
Computational mass spectrometry for small molecules
@nl
P2860
P356
P1476
Computational mass spectrometry for small molecules
@en
P2093
Kerstin Scheubert
P2860
P2888
P356
10.1186/1758-2946-5-12
P407
P577
2013-03-01T00:00:00Z
P5875
P6179
1004847403