[GENERAL]
AmountOfChains=2
ChainLibrary=fattyAcidChains.xlsx
CAtomsFromName=\D*(\d+):\d+
DoubleBondsFromName=\D*\d+:(\d+)
BasePeakCutoff=0.01%
RetentionTimePostprocessing=true
SpectrumCoverage=10%
EnforcePeakUnionTime=4
IgnorePositionForUnion=true
ChainCutoff=10%


[HEAD]
!FRAGMENTS
Name=Precursor		Formula=$PRECURSOR		Charge=1	MSLevel=2	mandatory=true
Name=NL_serine_87	Formula=$PRECURSOR-C3H5NO2	Charge=1	MSLevel=2	mandatory=false
Name=NL_PChead_60_wrong	Formula=$PRECURSOR-C2O2H4	Charge=1	MSLevel=2	mandatory=other

!INTENSITIES
Equation=Precursor>0.4*$BASEPEAK	mandatory=true
Equation=Precursor>0.9*NL_serine_87	mandatory=true
Equation=Precursor>NL_PChead_60_wrong	mandatory=true

[CHAINS]
!FRAGMENTS
Name=Carboxy			Formula=$CHAIN-H			Charge=1	MSLevel=2	mandatory=false
Name=NL_Ketene			Formula=$PRECURSOR-$CHAIN+H2O		Charge=1	MSLevel=2	mandatory=false
Name=NL_Carboxy_serine_Na	Formula=$PRECURSOR-$CHAIN+H2O-C3H6NO3Na	Charge=1	MSLevel=2	mandatory=false
Name=NL_Ketene_serine		Formula=$PRECURSOR-$CHAIN+H2O-C3H5NO2	Charge=1	MSLevel=2	mandatory=false

!INTENSITIES
Equation=NL_Carboxy_serine_Na+NL_Ketene+Carboxy+0*NL_Ketene_serine>0*$BASEPEAK		mandatory=true
Equation=10*NL_Carboxy_serine_Na+10*NL_Ketene+Carboxy+NL_Ketene_serine>0.1*$BASEPEAK	mandatory=true

[POSITION]
!INTENSITIES
Equation=NL_Ketene[2]*0.7+Carboxy[2]*0+NL_Carboxy_serine_Na[2]*0>NL_Ketene[1]+Carboxy[1]*0+NL_Carboxy_serine_Na[1]*0		mandatory=true