systemsomicslab / MsdialWorkbench

Universal workbench incorporating msdial, msfinder, and mrmprobs
https://systemsomicslab.github.io/compms/msdial/main.html
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User-defined database does not work in MS-FINDER v3.60 #346

Open eirik-wang opened 2 months ago

eirik-wang commented 2 months ago

Hello! I am seeking assistance regarding an issue I encountered while using the MS-FINDER software for compound identification in herbs. Specifically, when attempting to load a user-defined database in MS-FINDER (version 3.60) to search for the formula and structure of compounds (peaks), I found that despite ensuring correct parameter settings, the user-defined database failed to function as expected. However, other local databases continued to work correctly, even though they were not actively selected in the settings.

Here is the detailed description this issue step-by-step:

1) The LC-HRMS data were processed using MS-DIAL (v5.2.240218.2) and the MS-FINDER program (v3.60) was directly called from MS-DIAL.

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2) A user-defined DB was built in Excel using the template downloaded from the MS-FINDER website.

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3) The user-defined DB was saved as the format of “tab delimited text” image

4) The user-defined DB was loaded when setting the analysis parameters in MS-FINDER, while all the other local databases were ignored (unchecked). image

5) “Compound annotation (batch job)” was run. image

6) As a result, the user-defined DB was found to be non-functional, and its outputs were not returned. Weirdly, the other local databases still worked even though they were not selected in the settings.

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