CEU Mass Mediator User's Manual:

Services

Browse search: search of metabolites through name and/or formula.
LC-MS search: search of metabolites through neutral mass or m/z. Retention Time (RT) of the signals and Composite Spectra (CS) can be provided to apply knowledge by the expert system.
MS/MS search: search of metabolites based on the fragmentation pattern.
CE-MS search: search of metabolites throguh neutral mass or m/z. Elution Time can be provided to apply knowledge by the expert system.
Pathway displayer: Grouping of annotations presented in different pathways. The pathway's significance is calculated according to the formula:
Annotation of oxidized lipids: search of oxidized lipids based on their MS/MS fragmentation.
Spectral Quality assessment: measure the quality of your spectra for identification purpose.

Programatic Access

API Rest: There are two end-points available for the batch search and the batch advance search. See the PDF manual to read the full description of the REST services.
R library: Yaoxiang Li has created an R library https://github.com/lzyacht/cmmr to consume the end-points of CMM! See the PDF manual to read the full description of the R library.