[GENERAL]
AmountOfChains=2
ChainLibrary=fattyAcidChains.xlsx
CAtomsFromName=\D*(\d+):\d+
DoubleBondsFromName=\D*\d+:(\d+)
BasePeakCutoff=0.02%
ChainCutoff=10%
SpectrumCoverage=10%
RetentionTimePostprocessing=true


[HEAD]
!FRAGMENTS
Name=PChead_184			Formula=C5H15NO4P		Charge=1	MSLevel=2	mandatory=false
Name=NL-Na_wrong		Formula=$PRECURSOR-P1O4C5N1H14	Charge=1	MSLevel=2	mandatory=other
Name=NL-triMeth_WRONG		Formula=$PRECURSOR-NC3H9	Charge=1	MSLevel=2	mandatory=false
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>0.05*$BASEPEAK		mandatory=true
Equation=NL-Na_wrong<0.8*$BASEPEAK		mandatory=true
Equation=NL-Na_wrong<0.4*PChead_184		mandatory=true
Equation=Precursor<PChead_184*0.7		mandatory=true
Equation=1.5*PChead_184>NL_PEhead_141_WRONG	mandatory=true


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


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