Extending a Tandem Mass Spectral Library to Include MS2 Spectra of Fragment Ions Produced In-Source and MSn Spectra

[1]  G. Brauers,et al.  A sensitive method for the determination of hordenine in human serum by ESI+ UPLC-MS/MS for forensic toxicological applications , 2016, Analytical and Bioanalytical Chemistry.

[2]  Zhentian Lei,et al.  Construction of an Ultrahigh Pressure Liquid Chromatography-Tandem Mass Spectral Library of Plant Natural Products and Comparative Spectral Analyses. , 2015, Analytical chemistry.

[3]  Xingde Li,et al.  GPQuest: A Spectral Library Matching Algorithm for Site-Specific Assignment of Tandem Mass Spectra to Intact N-glycopeptides. , 2015, Analytical chemistry.

[4]  Brendan MacLean,et al.  Building high-quality assay libraries for targeted analysis of SWATH MS data , 2015, Nature Protocols.

[5]  Wen-Lian Hsu,et al.  Metabolite identification for mass spectrometry-based metabolomics using multiple types of correlated ion information. , 2015, Analytical chemistry.

[6]  Yi-Fan Xu,et al.  Avoiding misannotation of in-source fragmentation products as cellular metabolites in liquid chromatography-mass spectrometry-based metabolomics. , 2015, Analytical chemistry.

[7]  Chih-Chiang Tsou,et al.  DIA-Umpire: comprehensive computational framework for data-independent acquisition proteomics , 2015, Nature Methods.

[8]  Kazuki Saito,et al.  LipidBlast Templates As Flexible Tools for Creating New in-Silico Tandem Mass Spectral Libraries , 2014, Analytical chemistry.

[9]  Stephen E Stein,et al.  Quality control for building libraries from electrospray ionization tandem mass spectra. , 2014, Analytical chemistry.

[10]  Henry H. N. Lam,et al.  Denoising peptide tandem mass spectra for spectral libraries: a Bayesian approach. , 2013, Journal of proteome research.

[11]  Lars Ridder,et al.  Automatic chemical structure annotation of an LC-MS(n) based metabolic profile from green tea. , 2013, Analytical chemistry.

[12]  Ute Roessner,et al.  Exploratory analysis of high-throughput metabolomic data , 2013, Metabolomics.

[13]  Fabian J Theis,et al.  Statistical methods for the analysis of high-throughput metabolomics data , 2013, Computational and structural biotechnology journal.

[14]  Matthew E Monroe,et al.  In-source fragmentation and the sources of partially tryptic peptides in shotgun proteomics. , 2013, Journal of Proteome Research.

[15]  April Z Gu,et al.  Analyzing high dimensional toxicogenomic data using consensus clustering. , 2012, Environmental science & technology.

[16]  Justin J J van der Hooft,et al.  Metabolite identification using automated comparison of high-resolution multistage mass spectral trees. , 2012, Analytical chemistry.

[17]  Masaru Tomita,et al.  Bioinformatics Tools for Mass Spectroscopy-Based Metabolomic Data Processing and Analysis , 2012, Current bioinformatics.

[18]  J. Yates,et al.  Mass spectrometry for proteomics. , 2008, Current opinion in chemical biology.

[19]  D. Ashline,et al.  Carbohydrate structural isomers analyzed by sequential mass spectrometry. , 2007, Analytical chemistry.

[20]  D. Ashline,et al.  Congruent strategies for carbohydrate sequencing. 3. OSCAR: an algorithm for assigning oligosaccharide topology from MSn data. , 2005, Analytical chemistry.

[21]  Hailong Zhang,et al.  Congruent strategies for carbohydrate sequencing. 2. FragLib: an MSn spectral library. , 2005, Analytical chemistry.

[22]  Katsutoshi Takahashi,et al.  A strategy for identification of oligosaccharide structures using observational multistage mass spectral library. , 2005, Analytical chemistry.

[23]  Xianlin Han,et al.  Shotgun lipidomics: electrospray ionization mass spectrometric analysis and quantitation of cellular lipidomes directly from crude extracts of biological samples. , 2005, Mass spectrometry reviews.

[24]  W. Hancock,et al.  New procedure for the use of high-performance liquid chromatography–electrospray ionization mass spectrometry for the analysis of nucleotides and oligonucleotides , 1997 .

[25]  M. Linscheid,et al.  Application of Liquid Chromatography ‐ Mass Spectrometry. , 1994 .

[26]  R. Suganya,et al.  Data Mining Concepts and Techniques , 2010 .

[27]  Oliver Fiehn,et al.  Application of liquid chromatography-mass spectrometry analysis in metabolomics: reversed-phase monolithic capillary chromatography and hydrophilic chromatography coupled to electrospray ionization-mass spectrometry. , 2007, Methods in molecular biology.