[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=Z2mCO2		Formula=$PRECURSOR-C7H13NO7	Charge=1	MSLevel=2	mandatory=false
Name=Y1			Formula=$PRECURSOR-C12H19NO10	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=C3PO3mC1_417	Formula=C12H18O14P		Charge=1	MSLevel=2	mandatory=false
Name=C3PO3mC1CO2H2O_355	Formula=C11H16O11P		Charge=1	MSLevel=2	mandatory=false
Name=Z0PO3		Formula=$PRECURSOR-C18H31NO16	Charge=1	MSLevel=2	mandatory=false
Name=IPmH2O_241		Formula=C6H10O8P		Charge=1	MSLevel=2	mandatory=false
Name=Precursor		Formula=$PRECURSOR		Charge=1	MSLevel=2	mandatory=false
Name=C3PO3_amine	Formula=C18H31NO19P		Charge=1	MSLevel=2	mandatory=false
Name=C3PO3mC1CO2_373	Formula=C11H18O12P		Charge=1	MSLevel=2	mandatory=false
Name=IP_259		Formula=C6H12O9P		Charge=1	MSLevel=2	mandatory=false
Name=Z2mCO2_MS3		Formula=$PRECURSOR-C7H13NO7	Charge=1	MSLevel=3	mandatory=false
Name=Y1_MS3		Formula=$PRECURSOR-C12H19NO10	Charge=1	MSLevel=3	mandatory=false
Name=Phosphate_79_MS3	Formula=PO3			Charge=1	MSLevel=3	mandatory=false
Name=Phosphate_97_MS3	Formula=H2PO4			Charge=1	MSLevel=3	mandatory=false
Name=C3PO3mC1_MS3	Formula=C12H18O14P		Charge=1	MSLevel=3	mandatory=false
Name=C3PO3mC1CO2H2O_MS3	Formula=C11H16O11P		Charge=1	MSLevel=3	mandatory=false
Name=Z0PO3_MS3		Formula=$PRECURSOR-C18H31NO16	Charge=1	MSLevel=3	mandatory=false
Name=IPmH2O_241_MS3	Formula=C6H10O8P		Charge=1	MSLevel=3	mandatory=false
Name=C3PO3_amine_MS3	Formula=C18H31NO19P		Charge=1	MSLevel=3	mandatory=false
Name=C3PO3mC1CO2_MS3	Formula=C11H18O12P		Charge=1	MSLevel=3	mandatory=false
Name=IP_259_MS3		Formula=C6H12O9P		Charge=1	MSLevel=3	mandatory=false

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