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


[HEAD]
!FRAGMENTS
Name=Precursor		Formula=$PRECURSOR		Charge=1	MSLevel=2	mandatory=false
Name=NL_serine_87	Formula=$PRECURSOR-C3H5NO2	Charge=1	MSLevel=2	mandatory=false
Name=PL153		Formula=C3H6O5P			Charge=1	MSLevel=2	mandatory=false
Name=PL171		Formula=C3H8O6P			Charge=1	MSLevel=2	mandatory=false

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

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

[POSITION]
!INTENSITIES
Equation=Carboxy[1]*0.8>Carboxy[2]		mandatory=true
Equation=(NL_Carboxy_serine[2]+NL_Ketene_serine[2])*0.8>NL_Carboxy_serine[1]+NL_Ketene_serine[1]	mandatory=true






