Statistical Correlations between NMR Spectroscopy and Direct Infusion FT-ICR Mass Spectrometry Aid Annotation of Unknowns in Metabolomics-Reference-Cited by-同舟云学术

Statistical Correlations between NMR Spectroscopy and Direct Infusion FT-ICR Mass Spectrometry Aid Annotation of Unknowns in Metabolomics

Published:2016-02-10 Issue:5 Volume:88 Page:2583-2589
ISSN:0003-2700
Container-title:Analytical Chemistry
language:en
Short-container-title:Anal. Chem.

Author:

Hao Jie¹,Liebeke Manuel¹,Sommer Ulf²,Viant Mark R.²,Bundy Jacob G.¹,Ebbels Timothy M. D.¹

Affiliation:

1. Computational and Systems Medicine, Department of Surgery and Cancer, Imperial College London, London SW7 2AZ, United Kingdom

2. NERC Biomolecular Analysis Facility − Metabolomics Node (NBAF-B), School of Biosciences, University of Birmingham, Edgbaston, Birmingham B15 2TT, United Kingdom

Funder

European Commission

Natural Environment Research Council

Publisher

American Chemical Society (ACS)

Subject

Analytical Chemistry

Link

https://pubs.acs.org/doi/pdf/10.1021/acs.analchem.5b02889

Reference32 articles.

1. Characterising and correcting batch variation in an automated direct infusion mass spectrometry (DIMS) metabolomics workflow

2. An optimized protocol for metabolome analysis in yeast using direct infusion electrospray mass spectrometry

3. Flow infusion electrospray ionisation mass spectrometry for high throughput, non-targeted metabolite fingerprinting: a review

4. Statistical Total Correlation Spectroscopy: An Exploratory Approach for Latent Biomarker Identification from Metabolic 1H NMR Data Sets

5. Subset Optimization by Reference Matching (STORM): An Optimized Statistical Approach for Recovery of Metabolic Biomarker Structural Information from 1H NMR Spectra of Biofluids

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