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tipputa / MS-LIMA-Standard

Mass spectral library manager
MIT License
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Check adduct type when importing library? #8

Open QizhiSu opened 4 years ago

QizhiSu commented 4 years ago

Dear MS-LIMA developer, I am thinking if it is possible to check the adduct type when importing *.msp file exported from MS-FINDER since some times MS-DIAL does not assign the correct adduct type and we forget to change it in MS-FINDER.

all the best, Sukis

tipputa commented 4 years ago

Dear Sukis,

Thank you very much for your suggestion and sorry for my late response. I will try to make the function to estimate correct adduct types.

Currently, you can see miss adduct annotations as the mass differences. MS-LIMA can show such information from Menu Bar > Viewer > Show Metadata of all spectra. To confirm the adduct type annotation, you can sort the table by the "Diff (ppm)" column. You can also change the adduct type in the table. After changing something in the table, please export and reload it to reflect the changes.

Best, tipputa

QizhiSu commented 4 years ago
Well, thanks a lot. I will try to do as you suggest.  Best regards,Qi-Zhi Su From: tipputaSent: 2020年7月13日 5:28To: tipputa/MS-LIMA-StandardCc: Sukis123; AuthorSubject: Re: [tipputa/MS-LIMA-Standard] Check adduct type when importing library? (#8) Dear Sukis,Thank you very much for your suggestion and sorry for my late response.I will try to make the function to estimate correct adduct types.Currently, you can see miss adduct annotations as the mass differences.MS-LIMA can show such information from Menu Bar > Viewer > Show Metadata of all spectra.To confirm the adduct type annotation, you can sort the table by the "Diff (ppm)" column.You can also change the adduct type in the table.After changing something in the table, please export and reload it to reflect the changes.Best,tipputa—You are receiving this because you authored the thread.Reply to this email directly, view it on GitHub, or unsubscribe.