[GENERAL]
AmountOfChains=2
ChainLibrary=fattyAcidChains.xlsx
CAtomsFromName=\D*(\d+):\d+
DoubleBondsFromName=\D*\d+:(\d+)
BasePeakCutoff=0.05%
ChainCutoff=30%
RetentionTimePostprocessing=true
ClassSpecificMS1Cutoff=0.01
SpectrumCoverage=10%

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

!INTENSITIES
Equation=PChead_184>0.6*$BASEPEAK		mandatory=true
Equation=NL-Na_wrong<0.25*$BASEPEAK		mandatory=true
Equation=PChead_184*0.5>NL-Na_wrong+NL-triMeth	mandatory=true
Equation=PChead_184>PChead_125			mandatory=true
Equation=PChead_184*0.5>PChead_104		mandatory=true
Equation=PChead_125>0.05*PChead_184		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
