Skip to main content

Topics

This section allows you to view all Topics made by this member. Note that you can only see Topics made in areas you currently have access to.

Topics - Sharon

1
MS-DIAL / Duplication of compounds after check "Only report top hit"
Hello administrator,

I have a little question.
When I checked the box "only report the top hit" under identification tab, many redundancies of metabolites were removed, but not all. Could you please suggest what could be the problem and how to solve this?
Can I manually remove duplicates by the match score? Does the "total score" in the export "alignmentResult table" mean the match score?

Thank you very much.

2
MS-DIAL / Which libraries were the 'MSMS_Public_EXP_VS17.msp' made up of
Hello administrator,

I am a new user of MS-DIAL. I have several questions regarding the  MSMS spectral libraries in MS-DIAL.

(1) I tried to add several distinct .msp files in one data processing workflow for annotation in MSDIAL ver 5.1.221118 , but once I added the 'MSMS_Public_EXP_NEG_VS17.msp' ,it showed that all the annotation method of metabolites was 'MSMS_Public_EXP_NEG_VS17', I don't know the reason, could you explain?
But in MSDIAL ver.4.92 Windowsx64, it seems that only one library can be uploaded at a time, so I chose to use MSDIAL ver 5.1.221118.

(2) Whether the 'MSMS_Public_EXP_NEG_VS17.msp'  is a collection of other libraries (such as 'MassBank', 'ReSpect', 'GNPS', 'Fiehn HILIC'...) in your official MS-DIAL website? If not, maybe I can integrate these libraries to generate a new .msp file so I can use the MSDIAL ver.4.92.

Thanks!

Best regards
Sharon