Table 1.
Summary of results for the number of features found using MFE, an “untargeted” feature finding algorithm.
Figure 1.
Features detected by global untargeted analysis and inferred from METLIN database searches having an absolute fold change |[IRBC/NRBC] Log2| ≥1.0.
A complete listing of all features detected by global untargeted analysis is presented in Table ST1. Compounds confirmed by MS/MS and/or RT matching are indicated with a “§” symbol.
Figure 2.
A partial list of identified compounds resulting from “targeted” analysis, showing differential abundances between IRBC and NRBC.
The relative abundances are based on IRBC/NRBC Log2 ratios for each entity that were significantly (P<0.05) different. Also indicated are the biological pathways associated with some of these compounds.
Figure 3.
Pie Chart summarizing the distribution and super class (from HMDB) information for IRBC and NRBC metabolites, detected by “untargeted” and “targeted” data mining analyses.
Figure 4.
Extracted Ion Chromatograms (EICs) for a derivitized standard mixture containing both (A) cADPR and (B) pRib-AMP, analyzed by LC/MS ESI (−) mode.
Figure 5.
Extracted MS/MS spectra for m/z 558.0644, detected in ESI (−) mode at three collision energies: 10, 20, 40 eV.
The empirical formula corresponding to the neutral mass, C15H23N5O14P2 corresponds to a compound with a single database entry in METLIN and annotated as N1-(5-phospho-D-ribosyl)-AMP (pRib-AMP). MS/MS spectra were collected for this compound from: (A) the chemically derivitized cADPR product, pRib-AMP, and, (B) an IRBC sample.
Figure 6.
A proposed enzymatic pathway for generating pRib-AMP from cADPR in P. falciparum.
Figure 7.
Untargeted, global LC/MS metabolomics analysis for P. falciparum infected RBC cultures reveal metabolites associated with the mitochondrial TCA cycle.
Differential and quantified metabolites are shaded in red.