Fragment Assembly Approach Based on Graph/Network Theory with Quantum Chemistry Verifications for Assigning Multidimensional NMR Signals in Metabolite Mixtures

ACS Chemical Biology

Volumn 11, Issue 4, 2016, Pages 1030-1038

  Ito, Kengo ^a,b   Tsutsumi, Yu ^c   Date, Yasuhiro ^a,b   Kikuchi, Jun ^a,b,d  

^a YOKOHAMA CITY UNIVERSITY   (Japan)

^b Elements Chemistry Laboratory   (Japan)

^c Bruker Corporation   (United States)

^d NAGOYA UNIVERSITY   (Japan)

Author keywords

[No Author keywords available]

Indexed keywords

2 OXOBUTYRIC ACID; ACETIC ACID; ALANINE; ARGININE; ASPARTIC ACID; CARBON 13; CITRULLINE; FORMIC ACID; FUMARIC ACID; GALACTOSE; GLUCOSE; GLUCURONIC ACID; GLUTAMIC ACID; HYDROGEN; LEUCINE; METHANOL; METHYLMALONIC ACID; PHOSPHOENOLPYRUVATE; PYRUVIC ACID; SUCCINIC ACID; THREONINE; TRIMETHYLAMINE; XYLOSE;

ARTICLE; CARBON NUCLEAR MAGNETIC RESONANCE; CHEMICAL STRUCTURE; CONFORMATION; DRUG MIXTURE; HETERONUCLEAR SINGLE QUANTUM COHERENCE; METABOLITE; METABOLOMICS; NUCLEAR MAGNETIC RESONANCE SPECTROSCOPY; PREDICTION; PRIORITY JOURNAL; PROTON NUCLEAR MAGNETIC RESONANCE; QUANTUM CHEMISTRY; SEAWEED; PROCEDURES; QUANTUM THEORY; THEORETICAL MODEL;

MAGNETIC RESONANCE SPECTROSCOPY; MODELS, THEORETICAL; QUANTUM THEORY;

EID: 84966283638     PISSN: 15548929     EISSN: 15548937     Source Type: Journal    
DOI: 10.1021/acschembio.5b00894     Document Type: Article

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