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MALDISkyLink_Permeth_Eval.sky.zip

MALDISkyLink_ProofOfConcept

Document Summary

 

Small Molecule Transition List

 
 
Fully permethylated comparison 
(Hex)6 (HexNAc)5C111H197N5O562497.76842496.2721(Hex)6 (HexNAc)52497.76842519.26131+(Hex)6 (HexNAc)52519.2613 
(Hex)6 (HexNAc)5C111H197N5O562497.76842496.2721(Hex)6 (HexNAc)52497.76842519.26131+(Hex)6 (HexNAc)52520.2647 
(Hex)6 (HexNAc)5C111H197N5O562497.76842496.2721(Hex)6 (HexNAc)52497.76842519.26131+(Hex)6 (HexNAc)52521.2677 
(Hex)5 (HexNAc)2C69H124N2O361557.72501556.7934(Hex)5 (HexNAc)21557.72501579.78261+(Hex)5 (HexNAc)21579.7826 
(Hex)5 (HexNAc)2C69H124N2O361557.72501556.7934(Hex)5 (HexNAc)21557.72501579.78261+(Hex)5 (HexNAc)21580.7860 
(Hex)5 (HexNAc)2C69H124N2O361557.72501556.7934(Hex)5 (HexNAc)21557.72501579.78261+(Hex)5 (HexNAc)21581.7889 
(Hex)5 (NeuAc)2 (HexNAc)4C123H216N6O622771.05262769.3934(Hex)5 (NeuAc)2 (HexNAc)42771.05262792.38261+(Hex)5 (NeuAc)2 (HexNAc)42792.3826 
(Hex)5 (NeuAc)2 (HexNAc)4C123H216N6O622771.05262769.3934(Hex)5 (NeuAc)2 (HexNAc)42771.05262792.38261+(Hex)5 (NeuAc)2 (HexNAc)42793.3859 
(dHex)1 (Hex)4 (HexNAc)4C90H160N4O452018.24672017.0355(dHex)1 (Hex)4 (HexNAc)42018.24672040.02471+(dHex)1 (Hex)4 (HexNAc)42040.0247 
(dHex)1 (Hex)4 (HexNAc)4C90H160N4O452018.24672017.0355(dHex)1 (Hex)4 (HexNAc)42018.24672040.02471+(dHex)1 (Hex)4 (HexNAc)42041.0280 
(dHex)1 (Hex)4 (HexNAc)4C90H160N4O452018.24672017.0355(dHex)1 (Hex)4 (HexNAc)42018.24672040.02471+(dHex)1 (Hex)4 (HexNAc)42042.0310 
(dHex)1 (Hex)3 (HexNAc)4C81H144N4O401814.02501812.9357(dHex)1 (Hex)3 (HexNAc)41814.02501835.92491+(dHex)1 (Hex)3 (HexNAc)41835.9249 
(dHex)1 (Hex)3 (HexNAc)4C81H144N4O401814.02501812.9357(dHex)1 (Hex)3 (HexNAc)41814.02501835.92491+(dHex)1 (Hex)3 (HexNAc)41836.9282 
(dHex)1 (Hex)3 (HexNAc)4C81H144N4O401814.02501812.9357(dHex)1 (Hex)3 (HexNAc)41814.02501835.92491+(dHex)1 (Hex)3 (HexNAc)41837.9312 
Underpermethylated comparison 
(Hex)6 (HexNAc)5C110H195N5O562483.74172482.2565(Hex)6 (HexNAc)52483.74172505.24571+(Hex)6 (HexNAc)52505.2457 
(Hex)6 (HexNAc)5C110H195N5O562483.74172482.2565(Hex)6 (HexNAc)52483.74172505.24571+(Hex)6 (HexNAc)52506.2490 
(Hex)6 (HexNAc)5C110H195N5O562483.74172482.2565(Hex)6 (HexNAc)52483.74172505.24571+(Hex)6 (HexNAc)52507.2521 
(Hex)5 (HexNAc)2C68H122N2O361543.69831542.7777(Hex)5 (HexNAc)21543.69831565.76691+(Hex)5 (HexNAc)21565.7669 
(Hex)5 (HexNAc)2C68H122N2O361543.69831542.7777(Hex)5 (HexNAc)21543.69831565.76691+(Hex)5 (HexNAc)21566.7703 
(Hex)5 (HexNAc)2C68H122N2O361543.69831542.7777(Hex)5 (HexNAc)21543.69831565.76691+(Hex)5 (HexNAc)21567.7732 
(Hex)5 (NeuAc)2 (HexNAc)4C122H214N6O622757.02592755.3777(Hex)5 (NeuAc)2 (HexNAc)42757.02592778.36691+(Hex)5 (NeuAc)2 (HexNAc)42778.3669 
(Hex)5 (NeuAc)2 (HexNAc)4C122H214N6O622757.02592755.3777(Hex)5 (NeuAc)2 (HexNAc)42757.02592778.36691+(Hex)5 (NeuAc)2 (HexNAc)42779.3703 
(dHex)1 (Hex)4 (HexNAc)4C89H158N4O452004.22002003.0198(dHex)1 (Hex)4 (HexNAc)42004.22002026.00901+(dHex)1 (Hex)4 (HexNAc)42026.0090 
(dHex)1 (Hex)4 (HexNAc)4C89H158N4O452004.22002003.0198(dHex)1 (Hex)4 (HexNAc)42004.22002026.00901+(dHex)1 (Hex)4 (HexNAc)42027.0124 
(dHex)1 (Hex)4 (HexNAc)4C89H158N4O452004.22002003.0198(dHex)1 (Hex)4 (HexNAc)42004.22002026.00901+(dHex)1 (Hex)4 (HexNAc)42028.0154 
(dHex)1 (Hex)3 (HexNAc)4C80H142N4O401799.99831798.9200(dHex)1 (Hex)3 (HexNAc)41799.99831821.90931+(dHex)1 (Hex)3 (HexNAc)41821.9093 
(dHex)1 (Hex)3 (HexNAc)4C80H142N4O401799.99831798.9200(dHex)1 (Hex)3 (HexNAc)41799.99831821.90931+(dHex)1 (Hex)3 (HexNAc)41822.9126 
(dHex)1 (Hex)3 (HexNAc)4C80H142N4O401799.99831798.9200(dHex)1 (Hex)3 (HexNAc)41799.99831821.90931+(dHex)1 (Hex)3 (HexNAc)41823.9155