[GENERAL]
AmountOfChains=2
AmountOfLCBs=1
ChainLibrary=fattyAcidChains.xlsx
LCBLibrary=dLCB.xlsx
CAtomsFromName=\D*(\d+):\d+
DoubleBondsFromName=\D*\d+:(\d+)
BasePeakCutoff=0.05%
ChainCutoff=10%
SpectrumCoverage=10%
FaHydroxylationRange=0-1
LcbHydroxylationRange=2-3
RetentionTimePostprocessing=true
SingleChainIdentification=false

[HEAD]
!FRAGMENTS
Name=Precursor		Formula=$PRECURSOR		Charge=1	MSLevel=2	mandatory=false
Name=Phosphate_79	Formula=PO3			Charge=1	MSLevel=2	mandatory=false
Name=Phosphate_97	Formula=H2PO4			Charge=1	MSLevel=2	mandatory=false
Name=PIhead_241		Formula=C6H10O8P		Charge=1	MSLevel=2	mandatory=false
Name=PIhead_259		Formula=C6H12O9P		Charge=1	MSLevel=2	mandatory=false
Name=IP_hex		Formula=C12H22O14P		Charge=1	MSLevel=2	mandatory=false
Name=IP_hexmh2o		Formula=C12H20O13P		Charge=1	MSLevel=2	mandatory=false
Name=C3PO3_759		Formula=C24H41NO24P		Charge=1	MSLevel=2	mandatory=false
Name=C1_341		Formula=C12H22NO10		Charge=1	MSLevel=2	mandatory=false
Name=C3PO3mC1_417	Formula=C12H18O14P		Charge=1	MSLevel=2	mandatory=false
Name=C3PO3mC1CO2_373	Formula=C11H18O12P		Charge=1	MSLevel=2	mandatory=false
Name=C3PO3mC1CO2H2O_355	Formula=C11H16O11P		Charge=1	MSLevel=2	mandatory=false
Name=B1_325		Formula=C12H22NO9		Charge=1	MSLevel=2	mandatory=false
Name=2B1_323		Formula=C12H20NO9		Charge=1	MSLevel=2	mandatory=false
Name=E1_163		Formula=C6H11O5			Charge=1	MSLevel=2	mandatory=false
Name=2E1_161		Formula=C6H9O5			Charge=1	MSLevel=2	mandatory=false
Name=D1_179		Formula=C6H11O6			Charge=1	MSLevel=2	mandatory=false
Name=B2_501		Formula=C18H30NO15		Charge=1	MSLevel=2	mandatory=false
Name=2B2_501		Formula=C18H28NO15		Charge=1	MSLevel=2	mandatory=false
Name=C2_517		Formula=C18H30NO16		Charge=1	MSLevel=2	mandatory=false
Name=B3_663		Formula=C24H40NO20		Charge=1	MSLevel=2	mandatory=false
Name=2B3_661		Formula=C24H38NO20		Charge=1	MSLevel=2	mandatory=false
Name=C3_679		Formula=C24H40NO21		Charge=1	MSLevel=2	mandatory=false
Name=B3PO3_743		Formula=C24H41NO23P		Charge=1	MSLevel=2	mandatory=false
Name=2B3PO3_741		Formula=C24H39NO23P		Charge=1	MSLevel=2	mandatory=false
Name=NL_H2O		Formula=$PRECURSOR-H2O		Charge=1	MSLevel=2	mandatory=false
Name=NL_Y3		Formula=$PRECURSOR-C6H10O5	Charge=1	MSLevel=2	mandatory=false
Name=NL_Y3mH2O		Formula=$PRECURSOR-C6H12O6	Charge=1	MSLevel=2	mandatory=false		
Name=NL_Y3mH2OmCO2	Formula=$PRECURSOR-C7H12O8	Charge=1	MSLevel=2	mandatory=false
Name=NL_Z3		Formula=$PRECURSOR-C6H10O6	Charge=1	MSLevel=2	mandatory=false
Name=NL_Z3m2h		Formula=$PRECURSOR-C6H12O6	Charge=1	MSLevel=2	mandatory=false
Name=NL_Z3mCO2		Formula=$PRECURSOR-C7H10O8	Charge=1	MSLevel=2	mandatory=false
Name=NL_Z3mCO2m2h	Formula=$PRECURSOR-C7H12O8	Charge=1	MSLevel=2	mandatory=false
Name=NL_Y2		Formula=$PRECURSOR-C12H21NO9	Charge=1	MSLevel=2	mandatory=false
Name=NL_Y2mH2O		Formula=$PRECURSOR-C12H23NO10	Charge=1	MSLevel=2	mandatory=false
Name=NL_Y2mH2O_CO2	Formula=$PRECURSOR-C13H23NO12	Charge=1	MSLevel=2	mandatory=false
Name=NL_Z2		Formula=$PRECURSOR-C12H21NO10	Charge=1	MSLevel=2	mandatory=false
Name=NL_Z2m2h		Formula=$PRECURSOR-C12H23NO10	Charge=1	MSLevel=2	mandatory=false
Name=NL_Z2mCO2		Formula=$PRECURSOR-C13H21NO12	Charge=1	MSLevel=2	mandatory=false
Name=NL_Z2mCO2m2h	Formula=$PRECURSOR-C13H23NO12	Charge=1	MSLevel=2	mandatory=false
Name=NL_Y1		Formula=$PRECURSOR-C18H29NO15	Charge=1	MSLevel=2	mandatory=false
Name=NL_Y1mH2O		Formula=$PRECURSOR-C18H31NO18	Charge=1	MSLevel=2	mandatory=false
Name=NL_Z1		Formula=$PRECURSOR-C18H29NO16	Charge=1	MSLevel=2	mandatory=false
Name=NL_Z1m2h		Formula=$PRECURSOR-C18H31NO16	Charge=1	MSLevel=2	mandatory=false
Name=NL_Y0PO3		Formula=$PRECURSOR-C24H39NO20	Charge=1	MSLevel=2	mandatory=false
Name=NL_Y0PO3mH2O	Formula=$PRECURSOR-C24H41NO21	Charge=1	MSLevel=2	mandatory=false
Name=NL_Z0PO3		Formula=$PRECURSOR-C24H39NO21	Charge=1	MSLevel=2	mandatory=false
Name=NL_Y0		Formula=$PRECURSOR-C24H40NO23P	Charge=1	MSLevel=2	mandatory=false
Name=NL_Z0		Formula=$PRECURSOR-C24H40NO24P	Charge=1	MSLevel=2	mandatory=false
Name=NL_Z0m2h		Formula=$PRECURSOR-C24H42NO24P	Charge=1	MSLevel=2	mandatory=false
Name=C3PO3_E1_597	Formula=C3PO3_759-C6H10O5	Charge=1	MSLevel=2	mandatory=false
Name=nC3PO3_E1_597	Formula=C18H31NO19P		Charge=1	MSLevel=2	mandatory=false
Name=2C3PO3_E1_595	Formula=C18H29NO19P		Charge=1	MSLevel=2	mandatory=false
Name=C3PO3_D1_581	Formula=C18H31NO18P		Charge=1	MSLevel=2	mandatory=false
Name=2C3PO3_D1_579	Formula=C18H29NO18P		Charge=1	MSLevel=2	mandatory=false

!INTENSITIES
Equation=PIhead_259*0.9>PIhead_241		mandatory=false

