Fig. 1: Overview of AllCCS atlas and annotation of known and unknown metabolites. | Nature Communications

Fig. 1: Overview of AllCCS atlas and annotation of known and unknown metabolites.

From: Ion mobility collision cross-section atlas for known and unknown metabolite annotation in untargeted metabolomics

Fig. 1: Overview of AllCCS atlas and annotation of known and unknown metabolites.The alternative text for this image may have been generated using AI.

The AllCCS atlas hosts 5119 experimental CCS records, 3539 unified CCS values, and ~12 million predicted CCS values for ~1.7 million compounds. AllCCS can be integrated with in-silico MS/MS spectra to enable the multi-dimensional annotation for known and unknown metabolites in untargeted metabolomics.

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