Additional supporting information may be found in the online version of this article.

RCM_4482_sm_SupplFig1.doc76KSupplementary Figure S1. Schematic diagram of instrument used for high-mass-tune.
RCM_4482_sm_SupplTab2.xls136KSupplementary Table S2. Calculated and experimental data for [M+H]+, M+. and [M-CH3]+ (methyl loss) data for mass accuracy and isotope accuracy of 28 trimethylsilylated metabolites, yielding a total of 342 molecular species in EI and CI in three independent GC-TOF chromatograms.
RCM_4482_sm_SupplTab3.xls35KSupplementary Table S3. List of structural isomers found in PubChem for each of the 31 unique elemental compositions used in this study.

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