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Messages - lbarelli

1
MS-DIAL / Program crash with EIC table viewer
Dear community,

I am wondering if anyone else encounters a crash of the MS-DIAL program after opening the "Table viewer for curating each chromatogram" (right-click on EIC of aligned spot)?  The table opens however the longer I have it open or the more edits I make, the more readily the program crashes when I go to close the window. I get a pinwheel as if the program is not responding and then it closes. I've ben going through the table to check the gap-filled entries. I am using version 4.12 however I have been encountering this since ver 3.98.

Any ideas would be greatly appreciated,

Larissa
2
MS-DIAL / Re: MS2 spectrum missing peak information
Hello Hiroshi,

Thank you very much, that fixed my issue! I had changed MS2 from profile to centroid, but I had not done MS1. When I set both to centroid I now have a recognizable spectrum.


Thank you for your quick responses and dedication to fixing this issue!

Larissa
3
MS-DIAL / Re: MS2 spectrum missing peak information
Hello,

Thank you all for your insight. Indeed, the spectra originated from different scans. Scan #1873 in MZmine is the desired spectrum however, for the spectrum of 564.33 m/z in MS-DIAL, it originates from scan #1886 (peak spot view of file 141; See attached images). According to MZmine, scan #1886 has a precursor of 282.2527 m/z, not 564.33 m/z. Is this an example of how the programs differ in the assignment of MS/MS spectra to precursor ions as describe by Hiroshi? Are there parameters in MS-DIAL that I can change that will result in more/different assignments? There is only a single peak spot for m/z 564.33.

Thank you again for your expert advice,

Larissa
4
MS-DIAL / MS2 spectrum missing peak information
Dear MS-DIAL developers,

I have been working with both MS-DIAL and MZmine2 for analysis of a DDA dataset (ESI-LC-MS-MS with Q Exactive) as I have run into some confusion regarding the MS2 peak information. In the figures attached, you can see the MS2 of the same compound as displayed by both programs, however, there are many peaks absent in the MS-DIAL image and those shown are not the most abundant as seen in the MZmine2 image.  Is there possibly a setting that I have overlooked or incorrectly applied that would eliminate/obscure these peaks? Or is it possible that there is an issue during conversion of the .raw to .abf that may have happened? I have this issue for all my MS2 spectra of interest.

Thank you for any help you can offer,

Larissa