Your sample was processed by the Dorrestein Lab at UC San Diego through a HPLC-MS pipeline. One of the two swabs was thawed, extracted in 90% EtOH, and run in positive-mode reverse-phase LCMS/MS.
This method is consistently used for a wide range of samples to promote inter-comparability and will typically capture stable moderately polar and non-polar molecules 100-1500 Daltons that are soluble in 90% ethanol (v/v). This method will not capture large proteins or short-chain fatty acids (SCFA) which must be evaluated with a different workflow.
Raw spectra were deposited in MassIVE (massive.ucsd.edu) and processed for automatic annotation by GNPS (gnps.ucsd.edu). These tools enable us to produce table of MS1 abundances (semi-quantitative information) per sample for matched charge/mass:retention time pairs (m/z;RT), and to attempt to identify the features corresponding to the MS1 abundances by their MS2 spectra, however the vast majority (>90%) of metabolites are unannotated at this time.
In the first plot, the molecular intensities are aggregated by molecule class and your sample (denoted "You") is plotted along side the other DDW participants. For context, we've also plotted your sample against a set of inflammatory bowel disease patients.
In the next series of plots, the top few molecules of a given class or source are shown in comparision of everyone in DDW and, like above, the IBD patients.
Host or Microbe: