TY - JOUR AU - Xia, Jianguo AU - Bjorndahl, Trent C. AU - Tang, Peter AU - Wishart, David S. PY - 2008 DA - 2008/11/28 TI - MetaboMiner – semi-automated identification of metabolites from 2D NMR spectra of complex biofluids JO - BMC Bioinformatics SP - 507 VL - 9 IS - 1 AB - One-dimensional (1D) 1H nuclear magnetic resonance (NMR) spectroscopy is widely used in metabolomic studies involving biofluids and tissue extracts. There are several software packages that support compound identification and quantification via 1D 1H NMR by spectral fitting techniques. Because 1D 1H NMR spectra are characterized by extensive peak overlap or spectral congestion, two-dimensional (2D) NMR, with its increased spectral resolution, could potentially improve and even automate compound identification or quantification. However, the lack of dedicated software for this purpose significantly restricts the application of 2D NMR methods to most metabolomic studies. SN - 1471-2105 UR - https://doi.org/10.1186/1471-2105-9-507 DO - 10.1186/1471-2105-9-507 ID - Xia2008 ER -