[GENERAL]
AmountOfChains=2
ChainLibrary=fattyAcidChains.xlsx
CAtomsFromName=\D*(\d+):\d+
DoubleBondsFromName=\D*\d+:(\d+)
BasePeakCutoff=0.01%
RetentionTimePostprocessing=true
ChainCutoff=30%
SpectrumCoverage=10%


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

!INTENSITIES
Equation=NL_serine_87>0.05*$BASEPEAK		mandatory=true
Equation=NL_serine_87>NL_PChead_60_wrong	mandatory=true


[CHAINS]
!FRAGMENTS
Name=Carboxy			Formula=$CHAIN-H			Charge=1	MSLevel=2	mandatory=false
Name=NL_Carboxy_Na		Formula=$PRECURSOR-$CHAIN-Na+H		Charge=1	MSLevel=2	mandatory=false
Name=NL_Ketene			Formula=$PRECURSOR-$CHAIN+H2O		Charge=1	MSLevel=2	mandatory=false
Name=NL_Carboxy			Formula=$PRECURSOR-$CHAIN		Charge=1	MSLevel=2	mandatory=false
Name=NL_Carboxy_serine		Formula=$PRECURSOR-$CHAIN-C3H5NO2	Charge=1	MSLevel=2	mandatory=false
Name=NL_Carboxy_serine_Na	Formula=$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_Ketene*0.9>Carboxy			mandatory=false
Equation=NL_Ketene*0.9>NL_Ketene_serine		mandatory=false


[POSITION]
!INTENSITIES
Equation=Carboxy[1]*0.9>Carboxy[2]				mandatory=false
Equation=NL_Ketene[2]*0.8>NL_Ketene[1]				mandatory=false
Equation=NL_Carboxy_serine_Na[2]>NL_Carboxy_serine_Na[1]	mandatory=false
