Skip to main content
Topic: neutral losses XCMS online (Read 5268 times) previous topic - next topic

neutral losses XCMS online

Hi,

I am currently using XCMS online for most of my data analysis. To speed up identification, it would be nice to use the Camera package for identification of common "neutral losses", or other specific fragments. Are you planning to add functionality to XCMS online that would allow to screen for such common fragments? Presently the functionality of Camera within XCMS online is still relatively limited.

best,
Koen

Re: neutral losses XCMS online

Reply #1
I'm not directly involved in the development of XCMS online, so I can't say anything on that topic.
Perhaps Ralf can say something on the development schedule.

Re: neutral losses XCMS online

Reply #2
XCMS Online annotates the neutral losses that are defined per default. Make sure you have the full annotation enabled ( Tab "Annotation" : "isotopes + adducts")

CH2, 14.01565
CH3, 15.02348
NH3, 17.02655
H20, 18.0153
CH4, 16.0313
CO, 27.9949
COCH2, 42.01057
CO2, 43.9898
C2H4, 28.0313
HCOOH, 46.00547
C6H10O5, 162.05282

There is no option at the moment to define additional user specific neutral losses.