I wasn't sure where to post this but since lipidblast is offered with MS-DIAL I'll try here.
Is there a way to predict ms/ms spectra for structures that are not currently covered by lipidblast (e.g. TGs > 80 carbon atoms with unsaturated acyl chains) in order to be able to identify very large lipids. E.g. I have ms/ms spectra for TGs with precursors >1300Da that cannot be identified by MS-Dial.
Hello, I am looking for free/open source software that can process files from SRM experiments (converted to an open format) and provide parameters such as peak start/end at x% height, fwhm, noise etc. Does anyone have any suggestions? Many thanks
Thanks Jan, found the code here (http://www.metabolomics-forum.com/index.php?topic=842.0 - thanks to Agne). Modified the XCMS parameters for single quad data and removed the fillPeaks step. Compared aligned with raw and it seems to work just fine.
I have a series of chromatograms (as CDF files) that I want to align and re-export them to CDF. Is this possible with any of the free software like XCMS?
