Mass Spectrometry Peak Prediction

Show Possible Mtb Structures

This prediction tool uses data corresponding to over 2,500 precursor ions indentified by LC/MS lipid profiling (Sartain, M. et al, see reference below). Mtb lipids are organized into lipid categories according to the LIPID MAPS classification scheme.

Enter a tab or space delimited list of m/z and intensity values of precursor ions and specify the intensity threshold (cutoff) and ion type:

Intensity Threshold
Mass Tolerance (+/- m/z)
Lipid class/Headgroup
Sort by
List of precursor ions and intensities:
(tab or space delimited)

Mtb lipid classes covered:

Fatty Acyls
Phthioceranic Acids
Hydroxyphthioceranic acids
Mycocerosic, Mycolipenic, Mycolipanolic and Mycosanoic Acids
Alpha Mycolic Acids (Alpha-MA)
Keto Mycolic Acids (Keto-MA)
Methoxy Mycolic Acids (Methoxy-MA)
Phthiocerol and Phthiodiolone Dimycocerosates (DIM)
Glycosylated Phthiodiolone Dimycocerosates (GPD)
Glycosylated Phthiocerol Dimycocerosates (PGL-tb)
Glucose Monomycolates (GMM)
Trehalose Dimycolates (TDM)
Trehalose Monomycolates (TMM)

Monoacylglycerols (MG)
Diacylglycerols (DG)
Triacylglycerols (TG)

Cardiolipins (CL)
Monoacylglycerolphosphoethanolamines (LPE)
Diacylglycerolphosphoethanolamines (PE)
Monoacylglycerophosphoglycerols (LPG)
Diacylglycerophosphoglycerols (PG)
Monoacylglycerophosphoinositols (LPI)
Diacylglycerophosphoinositols (PI)
Monoacylglycerophosphoinositolmonomannosides (LPIM)
Diacylglycerophosphoinositolmonomannosides (PIM)
Monoacylated diacylglycerophosphoinositolmonomannosides (Ac1PIM)
Diacylated diacylglycerophosphoinositolmonomannosides (Ac2PIM)

Prenol lipids
Menaquinones (MK)
Decaprenols (DP)

Sulfolipids (SL)
Diacylated Sulfolipids (Ac2SGL)
Diacyltrehaloses (DAT)
Polyacyltrehaloses (PAT)

Mannosyl-beta1-phosphomycoketides (MPM)

Lipidomic analyses of Mycobacterium tuberculosis based on accurate mass measurements and the novel Mtb LipidDB
Mark J. Sartain*, Donald L. Dick, Chris D. Rithner, Dean C. Crick and John T. Belisle
J.Lipid Res. (2011) In press. (Article)