MSMS in-house library - open access txt

June 03, 2021, 06:36:48 AM

Hello Everyone
I have a question related to building an in-house library. I am doing one with MSMS spectras acquired on Triple TOF ABSciex 5600+ (IDA , not SWATH!! - nice clean MSMS).
I am running Sigma Aldrich LSMSMS Library (around 1000 metabolites) on 4 different LC columns (RP, HILIC, pZIC Hilic etc).
I started building an library on Library View Sciex software that I can export as ".lbp". I would like to open it and save as txt or whatever other open format, including info about MSMS fragmentation and different Rt associated with metabolites.

I was looking an alternative for some other way of creating this library, in a way it can be use in R later on. The good and bad point is the number of metablites (ca.1000 x two polarities x 4 Rt), and I am very careful about data curation, so I select manually "the good" spectra, nice intensity, no instrumental noise etc.
I would be very helpful if anyone could help in opening/converting .lbp file into whatever open stuff, or suggesting better way for in-house data creation. (I tested already MS-DIAL, mzMiNE, MLS Discovery as tools)

Thank you so much for your help.

Marynka

Re: MSMS in-house library - open access txt

Reply #1 – August 22, 2022, 03:51:43 AM

Hello Mary!
Did you find some solution with .lbp?
Thank you.