[GENERAL]
AmountOfChains=2
ChainLibrary=fattyAcidChains.xlsx
CAtomsFromName=\D*(\d+):\d+
DoubleBondsFromName=\D*\d+:(\d+)
BasePeakCutoff=0.1%
RetentionTimePostprocessing=true
SpectrumCoverage=10%
EnforcePeakUnionTime=4
IgnorePositionForUnion=true
ChainCutoff=10%

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

!INTENSITIES
Equation=NL_serine_87>0.2*$BASEPEAK		mandatory=true
Equation=NL_serine_87*1.2>0.3*PL153		mandatory=true
Equation=0.8*NL_serine_87>Precursor		mandatory=true

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

!INTENSITIES
Equation=NL_Carboxy_serine*1.5>NL_Ketene_serine	mandatory=true


[POSITION]
!INTENSITIES
Equation=Carboxy[1]*0.9>Carboxy[2]			mandatory=true
Equation=NL_Carboxy_serine[2]*0.9>NL_Carboxy_serine[1]	mandatory=true
Equation=NL_Ketene_serine[2]>NL_Ketene_serine[1]	mandatory=false





