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MassHunter Qual v 10 crashing

dkuzma

I'm using MH Qual 10.0. When I want to process MSMS data, it gets stuck on Identification step. It's always stuck on specific ion 955.9733 in negative mode (it does get stuck in positive mode data file). I tried several data files, but had the same issue.

The CPU usage is high (80%), memory usage at 15 % only. There is nothing else currently running on the computer, no data acquisition, no other data analysis.

The data processing is limited from 0.5 - 15 min only and I asked for only 100 largest compound (it tends to crash at fewer compounds as well - 30, for example).

Any suggestion what could be the problem?

  • 0

    Hello  ,

    Have you successfully analyzed files acquired with this acquisition method in the past? And have you successfully used this particular PCDL previously? I would suggest trying to determine if it is an issue with the data file or the PCDL by analyzing the data file with a different PCDL, even if it doesn't have the compounds you are expecting. You can also try using the PCDL on another data file, even one of the demo MSMS files that would not have any of the targets. That should help isolate what is causing the issue. 

  • 0 in reply to howard_sanford

    This has been an issue for me for some time, even with an older version (8). It is not just this particular file. It seems to be related to Find by AutoMSMS algoritm.The algoritm would go through, the library/database won't. If I process the same file with MFE (and same PCDL), it would finish successfully.

  • 0 in reply to dkuzma

    Hello  ,

    I apologize for the delayed response.

    The search part of the method will be the same regardless of how the compounds are discovered. MFE and Find by Auto MS/MS do have slightly different results options. For MFE results you can specify a precursor tolerance and also choose to deisotope the MS/MS spectrum.

    How was this PCDL created and what version was used to create it? For Qual B.08 and 10 you should use PCDL Manager B.08.00. Another thing to consider are these tips from the PCDL Quick Start guide

    For MS/MS spectra creation: In order to obtain the best scoring, it is highly recommended that you only select the lowest monoisotopic m/z ion as the precursor ion in MS/MS library acquisition, the use of higher isotope precursor m/z ions is not currently supported in PCDL Manager related workflows. In order to ensure that higher isotope m/z ions do not interfere with the lowest monoisotopic precursor ion fragmentation pattern the quadrupole resolution during acquisition must be set to narrow in order to ensure the best possible match to the MS/MS fragmentation library when you have complex mixtures.

    Also check is to make certain there are no duplicate entries in the PCDL, as this has been reported to cause issues with searching. 

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