How to extract parent ion? November 10, 2015, 03:22:22 PM Dear XCMS-CAMERA community,I hope to use CAMERA to shorten my LC-MS feature list to a list with parent ions only. I followed the CAMERA annotation and identification workflow described for multiple samples (1). Using the wrapper function annotateDiffreport, I got a list with columns for isotopes, adducts and pcgroups. But I don’t understand how to extract the parent ions from the pcgroups. I figured, there probably is a function for that?Sometimes a peakgroup contains a lot of different features with a lot of different potential parent ions. How do I deal with a group like that?I was also wondering, if the algorithm of the xcms online tool for the annotation of isotopes and adducts is related to the one used in CAMERA?I am new to metabolite analysis and R and I am happy to provide further information if needed.I greatly appreciate your help!Thank you very much!Nadine(1) http://https://bioconductor.org/packages/release/bioc/vignettes/CAMERA/inst/doc/CAMERA.pdf Quote Selected
Topic: How to extract parent ion?