I am a beginner to learn about XCMS. For my plant sample, I have already done LC-MS. I want to identify a few of the peaks. after searching some literature I came to know about XCMS. I read some articles about it but not really getting at it.
can anybody please recommend any literature or online lectures about it?
Thank you
You can find a guide here: https://bioconductor.org/packages/release/bioc/vignettes/xcms/inst/doc/xcms.html
1. First convert your file to abf. Format and run in msdial program it's very helpful
2. Second you can used the xcalibur to know your mass and predict the chemical formula then convert to liturture in the same plant or family.
3. Can you used knapsack database or reaxys or Search the exact mass of the compound in xcms database.
Thank you
I suggest you also use something like AutoTuner to help you in the selection of parameters:
https://bioconductor.org/packages/release/bioc/vignettes/Autotuner/inst/doc/Autotuner.html
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