Additional file 10.
MS/MS validation results for the metabolites exclusively identified by xMSanalyzer and with matches in Metlin. The first column is the full MS scan, second column is the MS/MS spectrum on LTQ Velos Orbitrap, and the third column shows the corresponding MS/MS spectrum from Metlin’s database.
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Uppal et al. BMC Bioinformatics 2013 14:15 doi:10.1186/1471-2105-14-15