Ab initio prediction of metabolic networks using Fourier transform mass spectrometry data.

Ab initio prediction of metabolic networks using Fourier transform mass spectrometry data.
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DOI:
10.1007/s11306-006-0029-z
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发表时间:
2006
期刊:
影响因子:
3.6
通讯作者:
Barrett, Michael P.
Barrett, Michael P.
中科院分区:
医学3区
文献类型:
--
作者:
Breitling, Rainer;Ritchie, Shawn;Goodenowe, Dayan;Stewart, Mhairi L.;Barrett, Michael P.

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Fourier transform mass spectrometry has recently been introduced into the field of metabolomics as a technique that enables the mass separation of complex mixtures at very high resolution and with ultra high mass accuracy. Here we show that this enhanced mass accuracy can be exploited to predict large metabolic networks ab initio, based only on the observed metabolites without recourse to predictions based on the literature. The resulting networks are highly information-rich and clearly non-random. They can be used to infer the chemical identity of metabolites and to obtain a global picture of the structure of cellular metabolic networks. This represents the first reconstruction of metabolic networks based on unbiased metabolomic data and offers a breakthrough in the systems-wide analysis of cellular metabolism.
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