Skip to main content
. Author manuscript; available in PMC: 2015 Dec 1.
Published in final edited form as: Nat Methods. 2015 May 4;12(6):523–526. doi: 10.1038/nmeth.3393

Figure 2. A deconvolution example with respect to SWATH acquisition with HILIC positive ion mode.

Figure 2

Two pharmaceutical agents, metoclopramide and norcocaine, were detected in untargeted metabolomics screens and co-eluted within 1.8-s peak top difference. The MS/MS ion traces with respect to these two metabolites are also shown in the top-right panel of precursor ion traces. The middle panels show raw MS/MS spectra of metoclopramide (left) and norcocaine (right), respectively. The spectrum of metoclopramide dominates and masks that of norcocaine, making its detection highly difficult. The bottom panels show the deconvoluted MS/MS spectrum and spectra matching results of metoclopramide (left) and norcocaine (right) yielding dot-product scores of 0.80 and 0.86, respectively.