Mass spectral reference libraries: an ever-expanding resource for chemical identification.
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Spectral deconvolution for gas chromatography mass spectrometry-based metabolomics: current status and future perspectivesMetFrag 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 annotationFragmentation trees reloadedIdentification of small molecules using accurate mass MS/MS searchEvaluation of the sensitivity of the 'Wiley registry of tandem mass spectral data, MSforID' with MS/MS data of the 'NIST/NIH/EPA mass spectral library'.Mining molecular structure databases: Identification of small molecules based on fragmentation mass spectrometry data.Targeted and non-targeted drug screening in whole blood by UHPLC-TOF-MS with data-independent acquisition.Applying Tandem Mass Spectral Libraries for Solving the Critical Assessment of Small Molecule Identification (CASMI) LC/MS Challenge 2012.Tandem mass spectral libraries of peptides in digests of individual proteins: Human Serum Albumin (HSA).Developing qualitative LC-MS methods for characterization of Vaccinium berry Standard Reference Materials.Characterizing Vaccinium berry Standard Reference Materials by GC-MS using NIST spectral libraries.LipidBlast in silico tandem mass spectrometry database for lipid identification.Differentiation of microbial species and strains in coculture biofilms by multivariate analysis of laser desorption postionization mass spectra.Refining similarity scoring to enable decoy-free validation in spectral library searching.Compound identification in GC-MS by simultaneously evaluating the mass spectrum and retention index.New kids on the block: novel informatics methods for natural product discovery.Simultaneous screening of targeted and non-targeted contaminants using an LC-QTOF-MS system and automated MS/MS library searching.MS2Analyzer: A software for small molecule substructure annotations from accurate tandem mass spectraLipidBlast templates as flexible tools for creating new in-silico tandem mass spectral libraries.Blinded Validation of Breath Biomarkers of Lung Cancer, a Potential Ancillary to Chest CT Screening.Mass spectral fragmentation of trimethylsilylated small molecules.Searching molecular structure databases with tandem mass spectra using CSI:FingerID.Mass Spectral Library Quality Assurance by Inter-Library Comparison.Computational Metabolomics: A Framework for the Million Metabolome.An overview of plant volatile metabolomics, sample treatment and reporting considerations with emphasis on mechanical damage and biological control of weeds.Ion sources for mass spectrometric identification and imaging of molecular species.Getting the right answers: understanding metabolomics challenges.Dereplication: racing to speed up the natural products discovery process.Non-target screening with high-resolution mass spectrometry: critical review using a collaborative trial on water analysis.Bar Coding MS(2) Spectra for Metabolite Identification.Functional sequencing read annotation for high precision microbiome analysis.Combining Fragment-Ion and Neutral-Loss Matching during Mass Spectral Library Searching: A New General Purpose Algorithm Applicable to Illicit Drug Identification.A tutorial in small molecule identification via electrospray ionization-mass spectrometry: The practical art of structural elucidation.Similarity of High-Resolution Tandem Mass Spectrometry Spectra of Structurally Related Micropollutants and Transformation Products.Quantitative Comparison of Tandem Mass Spectra Obtained on Various Instruments.How to tackle chemical communication? Relative proportions versus semiquantitative determination of compounds in lizard chemical secretions.“MS-Ready” structures for non-targeted high-resolution mass spectrometry screening studies
P2860
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P2860
Mass spectral reference libraries: an ever-expanding resource for chemical identification.
description
2012 nî lūn-bûn
@nan
2012 թուականի Յուլիսին հրատարակուած գիտական յօդուած
@hyw
2012 թվականի հուլիսին հրատարակված գիտական հոդված
@hy
2012年の論文
@ja
2012年論文
@yue
2012年論文
@zh-hant
2012年論文
@zh-hk
2012年論文
@zh-mo
2012年論文
@zh-tw
2012年论文
@wuu
name
Mass spectral reference librar ...... e for chemical identification.
@ast
Mass spectral reference librar ...... e for chemical identification.
@en
Mass spectral reference librar ...... e for chemical identification.
@nl
type
label
Mass spectral reference librar ...... e for chemical identification.
@ast
Mass spectral reference librar ...... e for chemical identification.
@en
Mass spectral reference librar ...... e for chemical identification.
@nl
prefLabel
Mass spectral reference librar ...... e for chemical identification.
@ast
Mass spectral reference librar ...... e for chemical identification.
@en
Mass spectral reference librar ...... e for chemical identification.
@nl
P356
P1433
P1476
Mass spectral reference librar ...... e for chemical identification.
@en
P2093
Stephen Stein
P304
P356
10.1021/AC301205Z
P407
P577
2012-07-13T00:00:00Z