[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=true

[HEAD]
!FRAGMENTS
Name=IPmH2O_241		Formula=C6H10O8P		Charge=1	MSLevel=2	mandatory=false
Name=IP_259		Formula=C6H12O9P		Charge=1	MSLevel=2	mandatory=false
Name=Y1			Formula=$PRECURSOR-C29H47NO24	Charge=1	MSLevel=2	mandatory=false
Name=C6PO3_amine_hex	Formula=C35H59NO33P		Charge=1	MSLevel=2	mandatory=false
Name=C3PO3mC1CO2H2O_355	Formula=C11H16O11P		Charge=1	MSLevel=2	mandatory=false
Name=C3PO3mC1CO2_373	Formula=C11H18O12P		Charge=1	MSLevel=2	mandatory=false
Name=Precursor		Formula=$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

!INTENSITIES
Equation=IP_259*0.9>IPmH2O_241	mandatory=false
