[GENERAL]
AmountOfChains=2
ChainLibrary=fattyAcidChains.xlsx
CAtomsFromName=\D*(\d+):\d+
DoubleBondsFromName=\D*\d+:(\d+)
BasePeakCutoff=1%
RetentionTimePostprocessing=true
SpectrumCoverage=2%
ChainCutoff=20%
AddChainPositions=1


[CHAINS]
!FRAGMENTS
Name=Carboxy		Formula=$CHAIN+H		Charge=1	MSLevel=2	mandatory=false
Name=Carboxy_OH		Formula=$CHAIN-OH		Charge=1	MSLevel=2	mandatory=false
Name=Na_Carboxy		Formula=$CHAIN+Na		Charge=1	MSLevel=2	mandatory=false
Name=NL_Carboxy		Formula=$PRECURSOR-$CHAIN	Charge=1	MSLevel=2	mandatory=false
Name=NL_Carboxy_Na	Formula=$PRECURSOR-$CHAIN+H-Na	Charge=1	MSLevel=2	mandatory=false

!INTENSITIES
Equation=NL_Carboxy_Na>0.02*NL_Carboxy												mandatory=true
Equation=NL_Carboxy>0.02*NL_Carboxy_Na												mandatory=true
Equation=(NL_Carboxy_Na+Na_Carboxy+NL_Carboxy*0.01+Carboxy*0+Carboxy_OH*0)>(Carboxy+Carboxy_OH+NL_Carboxy*0+$BASEPEAK*0)	mandatory=true


