[GENERAL]					
AmountOfChains=2					
AmountOfLCBs=1					
ChainLibrary=fattyAcidChains.xlsx					
LCBLibrary=dLCB_Ganglio.xlsx					
CAtomsFromName=\D*(\d+):\d+					
DoubleBondsFromName=\D*\d+:(\d+)					
ChainCutoff=10%					
FaHydroxylationRange=0-1					
LcbHydroxylationRange=2-3					
RetentionTimePostprocessing=true					
SingleChainIdentification=true

				
[HEAD]					
!FRAGMENTS					
Name=NeuAcFrag_87	Formula=C3H3O3	Charge=1	MSLevel=2	mandatory=false	
Name=NeuAc-H2O_272	Formula=C11H14NO7	Charge=1	MSLevel=2	mandatory=false	
Name=Hex_161	Formula=C6H9O5	Charge=1	MSLevel=2	mandatory=false	
Name=Hex-O_179	Formula=C6H11O6	Charge=1	MSLevel=2	mandatory=false	
Name=HexNAc_202	Formula=C8H12NO5	Charge=1	MSLevel=2	mandatory=false	
Name=HexNAc-O_220	Formula=C8H14NO6	Charge=1	MSLevel=2	mandatory=false	
Name=NeuAc2-O_350	Formula=C13H20NO10	Charge=1	MSLevel=2	mandatory=false	
Name=Hex-Hex_323	Formula=C12H19O10	Charge=1	MSLevel=2	mandatory=false	
Name=Hex-Hex-O_341	Formula=C12H21O11	Charge=1	MSLevel=2	mandatory=false	
Name=Hex-HexNAc_364	Formula=C14H22NO10	Charge=1	MSLevel=2	mandatory=false	
Name=Hex-HexNAc-O_382	Formula=C14H24NO11	Charge=1	MSLevel=2	mandatory=false	
Name=NeuAc2-Hex_494	Formula=C19H28NO14	Charge=1	MSLevel=2	mandatory=false	
Name=NeuAc2-Hex-O_512	Formula=C19H30NO15	Charge=1	MSLevel=2	mandatory=false	
Name=HexNAc-Hex-Hex_526	Formula=C20H32NO15	Charge=1	MSLevel=2	mandatory=false	
Name=HexNAc-Hex-Hex-O_544	Formula=C20H34NO16	Charge=1	MSLevel=2	mandatory=false	
Name=NeuAc2-Hex-Hex_656	Formula=C25H38NO19	Charge=1	MSLevel=2	mandatory=false	
Name=NeuAc2-Hex-Hex-O_674	Formula=C25H40NO20	Charge=1	MSLevel=2	mandatory=false	
Name=NeuAc2-Hex-HexNAc_697	Formula=C27H41N2O19	Charge=1	MSLevel=2	mandatory=false	
Name=NeuAc2-Hex-HexNAc-O_715	Formula=C27H43N2O20	Charge=1	MSLevel=2	mandatory=false	
Name=Hex-HexNAc-Hex-Hex_688	Formula=C26H42NO20	Charge=1	MSLevel=2	mandatory=false	
Name=Hex-HexNAc-Hex-Hex-O_706	Formula=C26H44NO21	Charge=1	MSLevel=2	mandatory=false	
Name=Hex-HexNAc-Hex-NeuAc2_859	Formula=C33H51N2O24	Charge=1	MSLevel=2	mandatory=false	
Name=Hex-HexNAc-Hex-NeuAc2-O_877	Formula=C33H53N2O25	Charge=1	MSLevel=2	mandatory=false	
Name=NeuAc2-Hex-HexNAc-Hex-Hex_1021	Formula=C39H61N2O29	Charge=1	MSLevel=2	mandatory=false	
Name=NeuAc2-Hex-HexNAc-Hex-Hex-O_1039	Formula=C39H63N2O30	Charge=1	MSLevel=2	mandatory=false	
Name=Precursor	Formula=$PRECURSOR	Charge=2	MSLevel=2	mandatory=false	
Name=PrecursorSingle	Formula=$PRECURSOR+H	Charge=1	MSLevel=2	mandatory=false	
Name=M-Hex_M-162	Formula=PrecursorSingle-C6H10O5	Charge=1	MSLevel=2	mandatory=false	
Name=M-Hex-O_M-180	Formula=PrecursorSingle-C6H12O6	Charge=1	MSLevel=2	mandatory=false	
Name=M-NeuAc2-O_M-351	Formula=PrecursorSingle-C13H21NO10	Charge=1	MSLevel=2	mandatory=false	
Name=M-Hex-Hex_M-324	Formula=PrecursorSingle-C12H20O10	Charge=1	MSLevel=2	mandatory=false	
Name=M-Hex-Hex-O_M-342	Formula=PrecursorSingle-C12H22O11	Charge=1	MSLevel=2	mandatory=false	
Name=M-Hex-HexNAc_M-365	Formula=PrecursorSingle-C14H23NO10	Charge=1	MSLevel=2	mandatory=false	
Name=M-Hex-HexNAc-O_M-383	Formula=PrecursorSingle-C14H25NO11	Charge=1	MSLevel=2	mandatory=false	
Name=M-NeuAc2-Hex_M-495	Formula=PrecursorSingle-C19H29NO14	Charge=1	MSLevel=2	mandatory=false	
Name=M-NeuAc2-Hex-O_M-513	Formula=PrecursorSingle-C19H31NO15	Charge=1	MSLevel=2	mandatory=false	
Name=M-HexNAc-Hex-Hex_M-527	Formula=PrecursorSingle-C20H33NO15	Charge=1	MSLevel=2	mandatory=false	
Name=M-HexNAc-Hex-Hex-O_M-545	Formula=PrecursorSingle-C20H35NO16	Charge=1	MSLevel=2	mandatory=false	
Name=M-NeuAc2-Hex-Hex_M-657	Formula=PrecursorSingle-C25H39NO19	Charge=1	MSLevel=2	mandatory=false	
Name=M-NeuAc2-Hex-Hex-O_M-675	Formula=PrecursorSingle-C25H41NO21	Charge=1	MSLevel=2	mandatory=false	
Name=M-NeuAc2-Hex-HexNAc_M-698	Formula=PrecursorSingle-C27H42N2O19	Charge=1	MSLevel=2	mandatory=false	
Name=M-NeuAc2-Hex-HexNAc-O_M-716	Formula=PrecursorSingle-C27H44N2O20	Charge=1	MSLevel=2	mandatory=false	
Name=M-Hex-HexNAc-Hex-Hex_M-689	Formula=PrecursorSingle-C26H43NO20	Charge=1	MSLevel=2	mandatory=false	
Name=M-Hex-HexNAc-Hex-Hex-O_M-707	Formula=PrecursorSingle-C26H45NO21	Charge=1	MSLevel=2	mandatory=false	
Name=M-Hex-HexNAc-Hex-NeuAc2_M-860	Formula=PrecursorSingle-C33H52N2O24	Charge=1	MSLevel=2	mandatory=false	
Name=M-Hex-HexNAc-Hex-NeuAc2-O_M-878	Formula=PrecursorSingle-C33H54N2O25	Charge=1	MSLevel=2	mandatory=false	
Name=M-NeuAc2-Hex-HexNAc-Hex-Hex_M-1022	Formula=PrecursorSingle-C39H62N2O29	Charge=1	MSLevel=2	mandatory=false	
Name=M-NeuAc2-Hex-HexNAc-Hex-Hex-O_M-1040	Formula=PrecursorSingle-C39H64N2O30	Charge=1	MSLevel=2	mandatory=false	
Name=NeuAc2_332	Formula=C13H18NO9	Charge=1	MSLevel=2	mandatory=true			
Name=M-NeuAc2_M-333	Formula=PrecursorSingle-C13H19NO9	Charge=1	MSLevel=2	mandatory=false			
	

[CHAINS]					
!FRAGMENTS					
Name=FA_FA	Formula=$CHAIN	Charge=1	MSLevel=2	mandatory=false	
Name=FA-H_FA-1	Formula=$CHAIN-H	Charge=1	MSLevel=2	mandatory=false	
Name=FA-H2O_FA-18	Formula=$CHAIN-H2O	Charge=1	MSLevel=2	mandatory=false	
Name=FA-H3O_FA-19	Formula=$CHAIN-H3O	Charge=1	MSLevel=2	mandatory=false	
Name=LCB-H2O_LCB-18	Formula=$LCB-H3O	Charge=1	MSLevel=2	mandatory=false	
Name=LCB-2H2O_LCB-36	Formula=$LCB-H5O2	Charge=1	MSLevel=2	mandatory=false	
Name=LCB-H6ON_LCB-36	Formula=$LCB-H6ON	Charge=1	MSLevel=2	mandatory=false	oh=2
Name=LCB-CH4O2_LCB-48	Formula=$LCB-CH5O2	Charge=1	MSLevel=2	mandatory=false	
Name=LCB-H6ON_LCB-50	Formula=$LCB-CH8ON	Charge=1	MSLevel=2	mandatory=false	oh=3
Name=G			Formula=PrecursorSingle-$CHAIN+CH2NO		Charge=1	MSLevel=2	mandatory=false
Name=G-NeuAc2_G-333	Formula=PrecursorSingle-$CHAIN+CH2NO-C13H19NO9		Charge=1	MSLevel=2	mandatory=false

!INTENSITIES
Equation=G|G-NeuAc2_G-333		mandatory=true


[POSITION]
!INTENSITIES
Equation=G[2]>0*$BASEPEAK		mandatory=true
