Power of isotopic fine structure for unambiguous determination of metabolite elemental compositions: In silico evaluation and metabolomic application

Analytica Chimica Acta

Volumn 813, Issue , 2014, Pages 70-76

  Nagao, Tatsuhiko ^a   Yukihira, Daichi ^a   Fujimura, Yoshinori ^a   Saito, Kazunori ^b   Takahashi, Katsutoshi ^c   Miura, Daisuke ^a   Wariishi, Hiroyuki ^a  

^a KYUSHU UNIVERSITY   (Japan)

^b BRUKER DALTONIK GMBH   (Germany)

^c NATIONAL INSTITUTE OF ADVANCED INDUSTRIAL SCIENCE AND TECHNOLOGY AIST   (Japan)

Author keywords

Elemental composition; Fourier transform ion cyclotron resonance mass spectrometry; Metabolite; Metabolomics; Simulation

Indexed keywords

ATOMIC PHYSICS; IONS; ISOTOPES; MASS SPECTROMETRY; METABOLITES; POSITIVE IONS; SPECTROMETRY;

ELEMENTAL COMPOSITIONS; FOURIER TRANSFORM ION CYCLOTRON RESONANCE MASS SPECTROMETRY; IDEAL PERFORMANCE; ISOTOPIC ABUNDANCES; METABOLOMICS; POSITIVE ION MODE; SIMULATION; ULTRAHIGH RESOLUTION;

BIOMOLECULES;

CARBON 13; ISOTOPE; NITROGEN 15; OXYGEN 18; POTASSIUM ION; SODIUM ION; SULFUR 34; UNCLASSIFIED DRUG;

ANIMAL TISSUE; ARTICLE; CHEMICAL COMPOSITION; CHEMICAL STRUCTURE; COMPUTER MODEL; ELEMENTAL COMPOSITION; ERROR; ISOTOPIC FINE STRUCTURE; MALE; MASS SPECTROMETRY; METABOLITE; METABOLOMICS; MOUSE; NOISE; NONHUMAN; PRIORITY JOURNAL; RADIOLOGICAL PARAMETERS; RELATIVE ISOTOPIC ABUNDANCE; STATISTICAL BIAS;

ELEMENTAL COMPOSITION; FOURIER TRANSFORM ION CYCLOTRON RESONANCE MASS SPECTROMETRY; METABOLITE; METABOLOMICS; SIMULATION;

ANIMALS; CARBON ISOTOPES; COMPUTER SIMULATION; FOURIER ANALYSIS; MALE; MASS SPECTROMETRY; METABOLOME; METABOLOMICS; MICE; MICE, INBRED C57BL; NITROGEN ISOTOPES; OXYGEN ISOTOPES; SULFUR ISOTOPES;

EID: 84893732229     PISSN: 00032670     EISSN: 18734324     Source Type: Journal    
DOI: 10.1016/j.aca.2014.01.032     Document Type: Article

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