Metabolomics Society Forum

Software => MS-DIAL => Topic started by: Andrew Morris on May 26, 2020, 07:38:37 AM

Title: Adduct identification in MS-DIAL
Post by: Andrew Morris on May 26, 2020, 07:38:37 AM
I have been using MS Dial to process lipidomics data collected using a reverse phase UHPLC/TOF MS workflow.  I have data sets collected using survey TOF MS and data dependent MS/MS and TOF MS with SWATH MS/MS methods.  The data quality is good and I can observe several abundant lipid species can be observed I process the data manually using Sciex OS.  I am still trying to optimize lipid identification using MS-DIAL, particularly for the SWATH data sets.  One issue that is very vexing to me is that MS-DIAL does not identify ammoniated adducts of mono di and tri glycerides even though these are present in the data and checked in the processing set up (and I have selected the ammonium formate solvent option).  Is there something trivial I am missing here?  Are there other "tweaks" for processing this type of TOF MS data that would improve my lipid identification?  Thanks in advance for any help.
Title: Re: Adduct identification in MS-DIAL
Post by: Hiroshi Tsugawa on June 06, 2020, 03:31:16 AM
Hi Andrew,

how did you obtain the SCIEX SWATH data? by TripleTOF or X500 series?
By X500 series, unfortunately, the MS-DIAL program cannot process the SWATH data correctly, and it will be resolved around in this autumn season. (but the DDA data from X500 should be OK)

If your data is coming from TripleTOF series, I have no idea. Could you please send me one wiff/wiff scan file with the information of SWATH-experiment?

Thanks,

Hiroshi