[GENERAL]
AmountOfChains=1
ChainLibrary=fattyAcidChains.xlsx
CAtomsFromName=\D*(\d+):\d+
DoubleBondsFromName=\D*\d+:(\d+)
BasePeakCutoff=0.02%
ChainCutoff=10%
SpectrumCoverage=10%
ClassSpecificMS1Cutoff=0.01

[HEAD]
!FRAGMENTS
Name=Precursor		Formula=$PRECURSOR		Charge=1	MSLevel=2	mandatory=false
Name=NL_H2O		Formula=$PRECURSOR-H2O		Charge=1	MSLevel=2	mandatory=false
Name=NL_PShead_185	Formula=$PRECURSOR-C3H8NO6P	Charge=1	MSLevel=2	mandatory=true
Name=PChead_184_WRONG	Formula=C5H15NO4P		Charge=1	MSLevel=2	mandatory=other

!INTENSITIES
Equation=NL_PShead_185>0.5*$BASEPEAK		mandatory=true
Equation=Precursor<0.5*$BASEPEAK		mandatory=true
Equation=NL_PShead_185>0.5*PChead_184_WRONG	mandatory=true


[CHAINS]
!FRAGMENTS
Name=NL_Carboxy		Formula=$PRECURSOR-$CHAIN	Charge=1	MSLevel=2	mandatory=false
Name=NL_Ketene		Formula=$PRECURSOR-$CHAIN+H2O	Charge=1	MSLevel=2	mandatory=false


