[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=$PRECURSOR		Charge=1	MSLevel=2	mandatory=false
Name=Phosphate_79	Formula=PO3			Charge=1	MSLevel=2	mandatory=false
Name=Phosphate_97	Formula=H2PO4			Charge=1	MSLevel=2	mandatory=false
Name=PIhead_241		Formula=C6H10O8P		Charge=1	MSLevel=2	mandatory=true
Name=PIhead_259		Formula=C6H12O9P		Charge=1	MSLevel=2	mandatory=true
Name=C3PO3_421		Formula=C12H23NO13P		Charge=1	MSLevel=2	mandatory=false
Name=C3PO3_419		Formula=C12H21NO13P		Charge=1	MSLevel=2	mandatory=false
Name=B3PO3_405		Formula=C12H23NO12P		Charge=1	MSLevel=2	mandatory=false
Name=2B3PO3_403		Formula=C12H21NO12P		Charge=1	MSLevel=2	mandatory=false
Name=C3_341		Formula=C12H22NO10		Charge=1	MSLevel=2	mandatory=false
Name=B3_325		Formula=C12H22NO9		Charge=1	MSLevel=2	mandatory=false
Name=2B3_323		Formula=C12H20NO9		Charge=1	MSLevel=2	mandatory=false
Name=C2_179		Formula=C6H12NO5		Charge=1	MSLevel=2	mandatory=false
Name=B2_163		Formula=C6H12NO4		Charge=1	MSLevel=2	mandatory=false
Name=2B2_161		Formula=C6H10NO4		Charge=1	MSLevel=2	mandatory=false
Name=NL_Y1		Formula=$PRECURSOR-C6H11NO4	Charge=1	MSLevel=2	mandatory=false
Name=NL_Z2		Formula=$PRECURSOR-C6H11NO5	Charge=1	MSLevel=2	mandatory=false
Name=NL_Z2m2h		Formula=$PRECURSOR-C6H13NO5	Charge=1	MSLevel=2	mandatory=false
Name=NL_Y0PO3		Formula=$PRECURSOR-C12H21NO9	Charge=1	MSLevel=2	mandatory=false
Name=NL_Z0PO3		Formula=$PRECURSOR-C12H21NO10	Charge=1	MSLevel=2	mandatory=false
Name=NL_Z0PO3m2h	Formula=$PRECURSOR-C12H19NO10	Charge=1	MSLevel=2	mandatory=false
Name=NL_Y0		Formula=$PRECURSOR-C12H22NO12P	Charge=1	MSLevel=2	mandatory=false
Name=NL_Z0		Formula=$PRECURSOR-C12H22NO13P	Charge=1	MSLevel=2	mandatory=false
Name=2NL_Z0		Formula=$PRECURSOR-C12H24NO13P	Charge=1	MSLevel=2	mandatory=false
Name=NL_Z0m2h		Formula=$PRECURSOR-C12H24NO13P	Charge=1	MSLevel=2	mandatory=false
	

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

