Metabolomics Society Forum

Software => MS-DIAL => Topic started by: Ondrej on September 08, 2022, 04:42:00 AM

Title: Nomenclature of oxidized lipids (LipidBlast)
Post by: Ondrej on September 08, 2022, 04:42:00 AM
Dear Hiroshi,
could you please unify the LipidBlast nomenclature with the recommended format?
(DOI 10.1194/jlr.S120001025, Liebisch et al. JLR, 2020)

I am using MS-DIAL v4.90 (Windows) and the main problem is with the reported oxygens. Using LM notation the 'position' should be before the "O" and the number of oxygens after the "O".

MS-DIAL name is: PI 17:0_18:2;2O
The normalized name at this level should be: PI 17:0_18:2;O2

MS-DIAL: SM 42:2;2O
LipidMaps: SM 42:2;O2

MS-DIAL: ST 29:2;O;S
LipidMaps: ST 29:0;O

Thank you,
Ondrej