Mass Spectrometry Peak Prediction

Show Possible Sphingolipid Structures

Enter a tab,space or comma-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) +/- 1.0 m/z +/- 0.5 m/z +/- 0.2 m/z +/- 0.1 m/z +/- 0.05 m/z +/- 0.01 m/z +/- 0.005 m/z +/- 0.001 m/z +/- 0.0005 m/z Radyl group abbreviation (eg. 12:0) contains starts with Backbone/Headgroup Any Cer Sphingomyelin CerP GlcCer DH-Cer DH-Sphingomyelin DH-CerP DH-GlcCer Ion [M+H]+ [M+K]+ [M+NH4]+ [M+Na]+ [M+H]+,[M+K]+,[M+Na]+ [M+H]+,[M+K]+,[M+Na]+,[M+NH4]+ [M-H]- [M+OAc]- [M+HCOO]- M(neutral) Sort by Exact Mass Abbreviation Molecular Formula Delta

List of precursor ions and intensities: (tab,space or comma-delimited) 562.4773 1.5778e5 564.4013 9627 644.5177 23731 731.3931 11905

List of N-acyl side-chains:
0:0,2:0,10:0,12:0,16:0,18:0,18:1,20:0,22:0,24:0,24:1,24:4,26:0,26:1
List of backbones/headgroups:
Cer,Sphingomyelin,CerP,GlcCer,DH-Cer,DH-Sphingomyelin,DH-CerP,DH-GlcCer
DH-: dihydro (sphinganine backbone)