A large scale test dataset to determine optimal retention index threshold based on three mass spectral similarity measures

Journal of Chromatography A

Volumn 1251, Issue , 2012, Pages 188-193

  Zhang, Jun ^a   Koo, Imhoi ^b   Wang, Bing ^c   Gao, Qing Wei ^a   Zheng, Chun Hou ^a   Zhang, Xiang ^b  

^a ANHUI UNIVERSITY   (China)

^b UNIVERSITY OF LOUISVILLE   (United States)

^c ANHUI UNIVERSITY OF TECHNOLOGY   (China)

Author keywords

Mass spectral similarity measure; Metabolite identification; Retention index threshold

Indexed keywords

DATA SETS; IDENTIFICATION ACCURACY; LARGE SCALE TESTS; MASS SPECTRA; MASS SPECTRAL; METABOLITE IDENTIFICATION; NATIONAL INSTITUTE OF STANDARDS AND TECHNOLOGY; REAL PART; RETENTION INDEX; SIMILARITY MEASURE; SPECTRAL SIMILARITY; THRESHOLD SETUP;

BIOMOLECULES; DISCRETE FOURIER TRANSFORMS; DISCRETE WAVELET TRANSFORMS; MASS SPECTROMETERS; MASS SPECTROMETRY; METABOLITES; OPTIMIZATION;

STATISTICAL TESTS;

CHEMICAL COMPOUND;

ACCURACY; ANALYTIC METHOD; ANALYTICAL PARAMETERS; ARTICLE; CHEMICAL ANALYSIS; CONTROLLED STUDY; DATA BASE; DISCRETE FOURIER TRANSFORM; DISCRETE WAVELET TRANSFORM; FOURIER TRANSFORMATION; INTERMETHOD COMPARISON; LARGE SCALE TEST DATASET; MASS SPECTROMETRY; MEASUREMENT; PREDICTION; PRIORITY JOURNAL; REFERENCE DATABASE; RETENTION INDEX;

ALGORITHMS; ALKANES; DATABASES, FACTUAL; FOURIER ANALYSIS; MASS SPECTROMETRY; MODELS, CHEMICAL;

EID: 84864062516     PISSN: 00219673     EISSN: 18733778     Source Type: Journal    
DOI: 10.1016/j.chroma.2012.06.036     Document Type: Article

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