Dear Tomas: My name is Alex and we have been using MZMine since 2.0. It is a very useful program to handle LC-MS data for metabolomics plus it is free of charge! Thanks for developing such a good software for us.
Now we have a request for MZMine to group/identify all related chloride and bromide isotopic peaks. I think it should not be difficult to conduct and the algorithm requires three conditions: 1, they should have very close retention times (within 0.1min). 2, the interval of m/z between is 1.997 for chloride and 1.998 for bromide. 3, the ratio of peak area/height determined by the number of chlorine/bromine, e.g. if there are 1 chlorines in the molecule the ratio of peak area/height should be about 3:1, if 1 bromine it's 1:1, if 2 chlorine it's 9:6:1, if 2 bromine it's 1:2:1 and so on. It is very useful to find/identify the compounds with chlorines or/and bromines in their molecules. This function can be added into the identification section or isotopes section. What do you think? Please let me know if you need more information or explanation. Many thanks Alex Dr. Tong (Alex) Zhang NMR and MS Technician Strathclyde Institute of Pharmacy and Biomedical Sciences University of Strathclyde The John Arbuthnott Building 27 Taylor Street Glasgow G4 0NR Scotland Tel: +441415482938 The University of Strathclyde is a charitable body, registered in Scotland, number SC015263. ------------------------------------------------------------------------------ Monitor your physical, virtual and cloud infrastructure from a single web console. Get in-depth insight into apps, servers, databases, vmware, SAP, cloud infrastructure, etc. Download 30-day Free Trial. Pricing starts from $795 for 25 servers or applications! http://p.sf.net/sfu/zoho_dev2dev_nov _______________________________________________ Mzmine-devel mailing list Mzmine-devel@lists.sourceforge.net https://lists.sourceforge.net/lists/listinfo/mzmine-devel
