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
Ion
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)

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

Glycerophospholipids
Cardiolipins(CL)
Monoacylglycerolphosphoethanolamines(Lyso-PE)
Diacylglycerolphosphoethanolamines(PE)
Monoacylglycerophosphoglycerols(Lyso-PG)
Diacylglycerophosphoglycerols(PG)
Monoacylglycerophosphoinositols(Lyso-PI)
Diacylglycerophosphoinositols(PI)
Monoacylglycerophosphoinositolmonomannosides(Lyso-PIM)
Diacylglycerophosphoinositolmonomannosides(PIM)
Monoacylated diacylglycerophosphoinositolmonomannosides(Ac1PIM)
Diacylated diacylglycerophosphoinositolmonomannosides(Ac2PIM)

Prenol lipids
Menaquinones(MK)
Decaprenols(DP)

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

Polyketides
Mannosyl-beta1-phosphomycoketides(MPM)

Reference:
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)

logo LIPID MAPS is funded by a Wellcome Trust.