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Create an IonDb with all theoretical adducts for a CompoundDb #100

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jorainer opened this issue Apr 11, 2022 · 0 comments
Open

Create an IonDb with all theoretical adducts for a CompoundDb #100

jorainer opened this issue Apr 11, 2022 · 0 comments

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@jorainer
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Maybe a fun function to create an IonDb from a CompDb that contains the m/z values for all possible (pre-defined) ions/adducts of all compounds in the database.

Such a database could be helpful by avoiding to calculate m/z on the fly from chemical formulas or exact masses.
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@jorainer