[GENERAL]
AmountOfChains=2
ChainLibrary=fattyAcidChains.xlsx
CAtomsFromName=\D*(\d+):\d+
DoubleBondsFromName=\D*\d+:(\d+)
BasePeakCutoff=1%
ChainCutoff=10%
RetentionTimePostprocessing=false
SpectrumCoverage=25%


[HEAD]
!FRAGMENTS
Name=PEhead_140_wrong	Formula=C2H7NO4P		Charge=1	MSLevel=2	mandatory=other
Name=PEhead_196_wrong	Formula=C5H11O5PN		Charge=1	MSLevel=2	mandatory=other
Name=Precursor		Formula=$PRECURSOR		Charge=1	MSLevel=2	mandatory=other
Name=NL_PChead_60	Formula=$PRECURSOR-C2O2H4	Charge=1	MSLevel=2	mandatory=other
Name=NL_serine_87_WRONG	Formula=$PRECURSOR-C3H5NO2	Charge=1	MSLevel=2	mandatory=other

!INTENSITIES
Equation=PEhead_140_wrong<0.01*$BASEPEAK	mandatory=true
Equation=PEhead_196_wrong<0.01*$BASEPEAK	mandatory=true
Equation=NL_PChead_60<0.2*Precursor		mandatory=true
Equation=NL_serine_87_WRONG<0.01*$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

!INTENSITIES
Equation=Carboxy>NL_Ketene		mandatory=true
Equation=NL_Ketene*1.5>NL_Carboxy	mandatory=true


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

