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Topic: Metlin ID in metabolite name in XCMS result table  (Read 357 times) previous topic - next topic

  • dazhudou1122
  • [*]
Metlin ID in metabolite name in XCMS result table
Dear Community Members,

I am really new to XCMS and I have some untargetted profiling results from a GC/MS that I would like analyze in XCMS. Primarily I would like to do pairwise comparison between samples and obtain the metabolites that are differentially present in two groups of samples. I think I got the results in XCMS and I am confused about how to convert the metlinID into the name of metabolites. Neither of the following website works : http://cts.fiehnlab.ucdavis.edu/conversion/batch  http://www.metaboanalyst.ca/faces/upload/ConvertView.xhtml.
So how is this conversion usually done? Or is there any other way to know what exact the metabolites are in the result table of XCMS?
Any info will be highly appreciated!

Best,

Wenhan
  • UT Southwestern Medical Center

  • AdrianaM
  • [*]
Re: Metlin ID in metabolite name in XCMS result table
Reply #1
Basically Metlin database is a searching engine and it takes your peaks and associate with its large repository. Please check manually the metabolites using the spectra, metlind annotation could have a lot of positive falses.

Regards

Adriana
  • Universidad de Antioquia