[GENERAL]
AmountOfChains=2
ChainLibrary=fattyAcidChains.xlsx
CAtomsFromName=\D*(\d+):\d+
DoubleBondsFromName=\D*\d+:(\d+)
BasePeakCutoff=0.01%
ChainCutoff=10%
RetentionTimePostprocessing=true
SpectrumCoverage=20%


[HEAD]
!FRAGMENTS
Name=Precursor		Formula=$PRECURSOR		Charge=1	MSLevel=2	mandatory=false
Name=NL_PChead_60	Formula=$PRECURSOR-C2O2H4	Charge=1	MSLevel=2	mandatory=true
Name=PChead_168		Formula=C4H11NO4P		Charge=1	MSLevel=2	mandatory=false
Name=PChead_224		Formula=C7H15O5NP		Charge=1	MSLevel=2	mandatory=false
Name=PChead_242		Formula=C7H17O6NP		Charge=1	MSLevel=2	mandatory=false
Name=PL153		Formula=C3H6O5P			Charge=1	MSLevel=2	mandatory=false
Name=NL_serine_wrong	Formula=$PRECURSOR-C3H5NO2	Charge=1	MSLevel=2	mandatory=other

!INTENSITIES
Equation=NL_serine_wrong*0.5<NL_PChead_60	mandatory=true
Equation=Precursor<0.4*NL_PChead_60		mandatory=true
Equation=NL_PChead_60>0.1*$BASEPEAK		mandatory=true


[CHAINS]
!FRAGMENTS
Name=Carboxy		Formula=$CHAIN-H			Charge=1	MSLevel=2	mandatory=true
Name=NL_Carboxy		Formula=$PRECURSOR-C2O2H4-$CHAIN	Charge=1	MSLevel=2	mandatory=false
Name=NL_Ketene		Formula=$PRECURSOR-C2O2H4-$CHAIN+H2O	Charge=1	MSLevel=2	mandatory=false
Name=Lyso		Formula=Carboxy+C3H5O4P			Charge=1	MSLevel=2	mandatory=false


[POSITION]
!INTENSITIES
Equation=Carboxy[2]*0.7>Carboxy[1]		mandatory=true
Equation=NL_Ketene[2]*0.9>NL_Ketene[1]	mandatory=false
Equation=NL_Carboxy[1]*0.7>NL_Carboxy[2]	mandatory=false
Equation=Lyso[1]*0.7>Lyso[2]		mandatory=false
