[GENERAL]
AmountOfChains=2
ChainLibrary=fattyAcidChains.xlsx
CAtomsFromName=\D*(\d+):\d+
DoubleBondsFromName=\D*\d+:(\d+)
BasePeakCutoff=0.01%
RetentionTimePostprocessing=true
SpectrumCoverage=5%
ChainCutoff=75%
AddChainPositions=1

[HEAD]
!FRAGMENTS
Name=Precursor		Formula=$PRECURSOR		Charge=1	MSLevel=2	mandatory=false
Name=PChead_184_WRONG	Formula=C5H15NO4P		Charge=1	MSLevel=2	mandatory=other

!INTENSITIES
Equation=PChead_184_WRONG<0.2*$BASEPEAK		mandatory=true

[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>0.05*NL_Carboxy_Na						mandatory=true
Equation=(NL_Carboxy_Na+Na_Carboxy+NL_Carboxy*0.01+Carboxy*0+Carboxy_OH)>Carboxy*0+$BASEPEAK*0	mandatory=true
Equation=NL_Carboxy_Na+Na_Carboxy>0.5*PChead_184_WRONG				mandatory=true
