[GENERAL]
AmountOfChains=2
ChainLibrary=fattyAcidChains.xlsx
CAtomsFromName=\D*(\d+):\d+
DoubleBondsFromName=\D*\d+:(\d+)
BasePeakCutoff=0.001%
ChainCutoff=10%
SpectrumCoverage=10%
RetentionTimePostprocessing=true


[HEAD]
!FRAGMENTS
Name=PChead_86			Formula=C5H12N			Charge=1	MSLevel=2	mandatory=false
Name=PChead_104			Formula=C5H14NO			Charge=1	MSLevel=2	mandatory=false
Name=PChead_125			Formula=C2H6O4P			Charge=1	MSLevel=2	mandatory=false
Name=PChead_184			Formula=C5H15NO4P		Charge=1	MSLevel=2	mandatory=true
Name=NL-Na_wrong		Formula=$PRECURSOR-P1O4C5N1H14	Charge=1	MSLevel=2	mandatory=other
Name=NL-triMeth			Formula=$PRECURSOR-NC3H9	Charge=1	MSLevel=2	mandatory=other
Name=Precursor			Formula=$PRECURSOR		Charge=1	MSLevel=2	mandatory=other
Name=NL_PEhead_141_WRONG	Formula=$PRECURSOR-C2H8NO4P	Charge=1	MSLevel=2	mandatory=other


!INTENSITIES
Equation=PChead_184>0.6*$BASEPEAK			mandatory=true
Equation=PChead_184>PChead_125+PChead_104+PChead_86	mandatory=true
Equation=NL-Na_wrong<0.2*$BASEPEAK			mandatory=true
Equation=PChead_184*0.2>NL-Na_wrong+NL-triMeth		mandatory=true
Equation=Precursor<PChead_184*0.7			mandatory=true
Equation=0.2*PChead_184>NL_PEhead_141_WRONG		mandatory=true


[CHAINS]
!FRAGMENTS
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=NL_Ketene*3>NL_Carboxy		mandatory=true

[POSITION]
!INTENSITIES
Equation=NL_Ketene[2]*0.7>NL_Ketene[1]		mandatory=false
Equation=(NL_Ketene[2]+NL_Carboxy[2])*0.8>NL_Ketene[1]+NL_Carboxy[1]	mandatory=true