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Quantmass in GC-MS workflow not taken from library #735

@toniSon

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@toniSon

Dear MS-Dial Team,

I am a happy MSDial user since many years and we are using version 4.9 for our GC-MS and LC-MS workflows in our lab.

I tried your new version (v5.5.260323) for GC-MS and I found the issue that the quantmass information stored in the library is NOT taken into the program (ref =0). RI works flawlessly.

As the Quantmass is not always the most intense mass, 73 or 147 are sometimes chosen by MSDial, which are not unique for the metabolites and we would prefer for the program to pick the QM described in the library.

I hope you can help me with this issue,

all the best,

Martin

See below the library entry and the MSDial informations:

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