@Yasmin Mounir Depending on your applications, there a a few software you could use for chemometric such as MATLAB, Unscrambler, Chemflow and R. Chemflow and R are free to use while MATlab is a licensed software.
Thank you soo much for your assistance Dr/ Michael, but which one is easy to use to provide maximum chemical information by analyzing different compounds that identified by HPLC-MS/MS in different varities of plant?
Your question is too general. I agree with Michael regarding the several software available, but (except Unscrambler) they are not too easy to use if you don't have previous experience in chemometrics. If you state better your problem we might direct you more. Are you trying to correlate HPLC-MS/MS results with specific target compounds? Are you trying to quantify them or to build a non-target classification? What is the scope?
This is the first time I've tried to use this analysis, so it is not quite clear yet about what i am going to do.
What do you recommend if my results are: values of peak intensity of certain compounds from certain plant cultivars of the same species and results obtained from some biological activities… I need to correlate cultivars to each other, correlate results obtained from UPLC-HR-ESI-MS/MS with cultivar/ specific compounds/ biological activities
It seems that in your case a PCA would be enough to try clustering those varieties together and check how the different cultivars and species correlate, by using all the compounds (the peak areas of each individual compound found by LC-MS/MS). Once you do that, you will be able to state which cultivars are closers, and which compound(s) is more responsible for this difference. All the major chemometric software are able to run PCA, if you are new to this I would recommend some package that can be installed and run directly into Microsoft Excel. Be careful in testing the "raw" data but also running a normalisation of your data, sometimes the different concentrations can affect if the results dramatically. I hope it helps.
Dr/ Nicola Caporaso many thanks to you, you've made things easier for me by giving me brief, quick instructions that have made things very simple, but i can’t understand what you meant “some package that can be installed and run directly into Microsoft Excel”?
And can I forgive you if I have stumbled on something to send you if it's not an inconvenience?
Something like XLStat can be run directly from Excel. Please have a read here if it helps: https://high-tech-guide.com/article/can-you-do-principal-component-analysis-in-excel
If you want something free, you might look into Python packages, but maybe too advanced.