MS/MS Data Improves Automated Determination of Molecular Formulas by Mass Spectrometry
暂无分享,去创建一个
Markus Meringer | Stefan Reinker | S. Reinker | M. Meringer | Juan Zhang | Alban Muller | Juan Zhang | Alban Muller
[1] Florian Rasche,et al. Towards de novo identification of metabolites by analyzing tandem mass spectra , 2008, ECCB.
[2] Douglas B Kell,et al. Metabolomic biomarkers: search, discovery and validation , 2007, Expert review of molecular diagnostics.
[3] Ari Rantanen,et al. FiD: a software for ab initio structural identification of product ions from tandem mass spectrometric data. , 2008, Rapid communications in mass spectrometry : RCM.
[4] R. Friedman,et al. Mass spectral metabonomics beyond elemental formula: chemical database querying by matching experimental with computational fragmentation spectra. , 2008, Analytical chemistry.
[5] A. Kerber,et al. Molecules in Silico: The Generation of Structural Formulae and Its Applications , 2004 .
[6] H. Kubinyi. CALCULATION OF ISOTOPE DISTRIBUTIONS IN MASS SPECTROMETRY. A TRIVIAL SOLUTION FOR A NON-TRIVIAL PROBLEM , 1991 .
[7] A. Rockwood,et al. Efficient calculation of accurate masses of isotopic peaks , 2006, Journal of the American Society for Mass Spectrometry.
[8] Oliver Fiehn,et al. Metabolomic database annotations via query of elemental compositions: Mass accuracy is insufficient even at less than 1 ppm , 2006, BMC Bioinformatics.
[9] Zsuzsanna Lipták,et al. SIRIUS: decomposing isotope patterns for metabolite identification , 2008, Bioinform..
[10] D. Mathur,et al. Computer-assisted determination of elemental composition of fragments in mass spectra , 1992 .
[11] A. Marshall,et al. High-resolution mass spectrometers. , 2008, Annual review of analytical chemistry.
[12] Richard D. Smith,et al. Rapid Calculation of Isotope Distributions , 1995 .
[13] Automatische Erkennung von Isotopenpeakmustern in Massenspektren , 1985 .
[14] H. Irth. Continuous‐Flow Systems for Ligand Binding and Enzyme Inhibition Assays Based on Mass Spectrometry , 2007 .
[15] J. Lederberg. Rapid calculation of molecular formulas from mass values , 1972 .
[16] Cristina Draghici,et al. Molecular formula analysis by an MS/MS/MS technique to expedite dereplication of natural products. , 2007, Analytical chemistry.
[17] Ernö Pretsch,et al. A computer program for the computation of the molecular formula , 1989 .
[18] N. E. Holden,et al. Atomic weights of the elements 1983 , 1984 .
[19] Silvia Heuerding,et al. Simple tools for the computer-aided interpretation of mass spectra , 1993 .
[20] J. Halket,et al. Derivatization in Mass Spectrometry—2. Acylation , 2003, European journal of mass spectrometry.
[21] J. Banoub,et al. Mass Spectrometry, Review of the Basics: Electrospray, MALDI, and Commonly Used Mass Analyzers , 2009 .
[23] Oliver Fiehn,et al. Seven Golden Rules for heuristic filtering of molecular formulas obtained by accurate mass spectrometry , 2007, BMC Bioinformatics.
[24] E. Vuori,et al. Isotopic pattern and accurate mass determination in urine drug screening by liquid chromatography/time-of-flight mass spectrometry. , 2006, Rapid communications in mass spectrometry : RCM.
[25] Xuewu Zhang,et al. Mass spectrometry-based "omics" technologies in cancer diagnostics. , 2007, Mass spectrometry reviews.
[26] R. Cotter,et al. Mass Spectrometry , 1992, Bio/Technology.
[27] Emma L. Schymanski,et al. Matching structures to mass spectra using fragmentation patterns: are the results as good as they look? , 2009, Analytical chemistry.
[28] Werner Brack,et al. How to confirm identified toxicants in effect-directed analysis , 2008, Analytical and bioanalytical chemistry.
[29] J. Halket,et al. Derivatization in Mass Spectrometry—8. Soft Ionization Mass Spectrometry of Small Molecules , 2006, European journal of mass spectrometry.
[30] MOLECULES IN SILICO : POTENTIAL VERSUS KNOWN ORGANIC COMPOUNDS , 2005 .
[31] Adalbert Kerber,et al. CASE via MS: Ranking Structure Candidates by Mass Spectra , 2006 .
[32] P. De Bièvre,et al. Atomic weights of the elements. Review 2000 (IUPAC Technical Report) , 2009 .
[33] Ross Ihaka,et al. Gentleman R: R: A language for data analysis and graphics , 1996 .
[34] J. K. Senior. Partitions and Their Representative Graphs , 1951 .
[35] Ernö Pretsch,et al. Automated Compatibility Tests of the Molecular Formulas or Structures of Organic Compounds with Their Mass Spectra , 1999, J. Chem. Inf. Comput. Sci..
[36] A. Rockwood,et al. Ultrahigh-speed calculation of isotope distributions. , 1996, Analytical chemistry.
[37] Aarni Tenhosaari. Computer‐assisted composition analysis of unknown compounds by simultaneous analysis of the intensity ratios of isotope patterns of the molecular ion and daughter ions in low‐resolution mass spectra , 1988 .
[38] S. Roussis,et al. Reduction of chemical formulas from the isotopic peak distributions of high-resolution mass spectra. , 2003, Analytical chemistry.
[39] K. Blom. Enhanced selectivity in determining elemental composition: Concerted precise mass and isotope pattern moment analysis , 1988 .