Print Page - Which libraries were the 'MSMS_Public_EXP

Title: Which libraries were the 'MSMS_Public_EXP_VS17.msp' made up of
Post by: Sharon on January 15, 2023, 03:00:57 AM

Hello administrator,

I am a new user of MS-DIAL. I have several questions regarding the MSMS spectral libraries in MS-DIAL.

(1) I tried to add several distinct .msp files in one data processing workflow for annotation in MSDIAL ver 5.1.221118 , but once I added the 'MSMS_Public_EXP_NEG_VS17.msp' ,it showed that all the annotation method of metabolites was 'MSMS_Public_EXP_NEG_VS17', I don't know the reason, could you explain?
But in MSDIAL ver.4.92 Windowsx64, it seems that only one library can be uploaded at a time, so I chose to use MSDIAL ver 5.1.221118.

(2) Whether the 'MSMS_Public_EXP_NEG_VS17.msp' is a collection of other libraries (such as 'MassBank', 'ReSpect', 'GNPS', 'Fiehn HILIC'...) in your official MS-DIAL website? If not, maybe I can integrate these libraries to generate a new .msp file so I can use the MSDIAL ver.4.92.

Thanks!

Best regards
Sharon

Title: Re: Which libraries were the 'MSMS_Public_EXP_VS17.msp' made up of
Post by: biswapriya on January 16, 2023, 12:03:55 AM

Hi Sharon,

(1) If (2) is correct and is VERY likely- but wait till Hiroshi confirms; then (1) take precedent / priority annotation over all other libraries. Make sure your data is from negative ionization mode and if that's true given limited amount of -ve mode MS/MS spectra, this limited annotations in Public_Exp_Neg_VS17 is understandable!

Thanks,
Biswa

Metabolomics Society Forum

Software => MS-DIAL => Topic started by: Sharon on January 15, 2023, 03:00:57 AM