Figure - PMC

Skip to main content

An official website of the United States government

Here's how you know

Here's how you know

Official websites use .gov
A .gov website belongs to an official government organization in the United States.

Secure .gov websites use HTTPS
A lock ( ) or https:// means you've safely connected to the .gov website. Share sensitive information only on official, secure websites.

View full-text article in PMC

. 2022 May 24;50(W1):W165–W174. doi: 10.1093/nar/gkac383

Search in PMC
Search in PubMed
View in NLM Catalog
Add to search

© The Author(s) 2022. Published by Oxford University Press on behalf of Nucleic Acids Research.

This is an Open Access article distributed under the terms of the Creative Commons Attribution License (https://creativecommons.org/licenses/by/4.0/), which permits unrestricted reuse, distribution, and reproduction in any medium, provided the original work is properly cited.

PMC Copyright notice

Figure 2. — An example of the output from a regular Compound Identification query using the experimentally acquired product ion MS/MS spectrum of Warfarin against the in silico CFM-ID spectral databases. The top half of the figure illustrates the mirrored MS/MS spectral plot between the experimental MS/MS spectrum (blue peaks), and the highest ranked candidate in silico MS/MS spectrum (red peaks). A table with the detailed candidate scores, structures and spectral links is presented on the bottom half of the page.