Selected article for: "molecular formula and MS MS spectrum"
Author: Marcus Ludwig; Louis-Félix Nothias; Kai Dührkop; Irina Koester; Markus Fleischauer; Martin A. Hoffmann; Daniel Petras; Fernando Vargas; Mustafa Morsy; Lihini Aluwihare; Pieter C. Dorrestein; Sebastian Böcker
Title: ZODIAC: database-independent molecular formula annotation using Gibbs sampling reveals unknown small molecules
  • Document date: 2019_11_16
    • ID: 03uonbrv_39
    Snippet: . CC-BY-NC-ND 4.0 International license author/funder. It is made available under a The copyright holder for this preprint (which was not peer-reviewed) is the . https://doi.org/10.1101/842740 doi: bioRxiv preprint Filtering MS/MS spectra. In each MS/MS spectrum, we ltered peaks using an intensity threshold of two times the median noise intensity, see Table 2 . The median noise intensity of a dataset was estimated from peaks which had no molecula.....
    Document: . CC-BY-NC-ND 4.0 International license author/funder. It is made available under a The copyright holder for this preprint (which was not peer-reviewed) is the . https://doi.org/10.1101/842740 doi: bioRxiv preprint Filtering MS/MS spectra. In each MS/MS spectrum, we ltered peaks using an intensity threshold of two times the median noise intensity, see Table 2 . The median noise intensity of a dataset was estimated from peaks which had no molecular formula decomposition within a 40 ppm window considering elements C, H, N, O, and P plus those elements predicted from the isotope pattern, see below. Isotope peaks were removed from MS/MS spectra of the mice stool dataset.

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