MS Hit List

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pauljerry9
Posts: 13
Joined: March 11th, 2023, 8:37 pm

MS Hit List

Post by pauljerry9 »

Once a blob is selected and a library search is performed for it, the Hit list table returns a total of 10 identifications. If I selected the nineth compound down the list, the initial compound name gets updated. But the compound chemical formula is not updated. How can the formula be updated? I have attached a picture as a reference.
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qtao
Posts: 242
Joined: October 7th, 2011, 10:16 am

Re: MS Hit List

Post by qtao »

"Hit 1" columns show the information of the first entry in the Hit List. Use "Library Formula" column instead. It will change based on the Hit List selection.

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pauljerry9
Posts: 13
Joined: March 11th, 2023, 8:37 pm

Re: MS Hit List

Post by pauljerry9 »

Within the blob table configuration, there is a limitation on the information to a maximum of 3 hits. Is there a way to represent all the 10 hits for each blob id within the blob table? I would like to print out such an information during analysis.
geschd23
Posts: 17
Joined: June 11th, 2018, 1:07 pm

Re: MS Hit List

Post by geschd23 »

It can be done by using CLIC columns. Add a CLIC column to the blob table with one of the following blob hit list indexed properties (replace i with the desired hit list position):

Code: Select all

Hit_Name[i]
Hit_Formula[i]
Hit_Molecular_Weight[i]
Hit_Base_Peak[i]
Hit_CAS[i]
Hit_RI[i]
Hit_Match_Factor[i]
Hit_Reverse_Match_Factor[i]
Hit_Probability[i]