[GENERAL]
AmountOfChains=2
ChainLibrary=fattyAcidChains.xlsx
CAtomsFromName=\D*(\d+):\d+
DoubleBondsFromName=\D*\d+:(\d+)
BasePeakCutoff=0.5%
ChainCutoff=20%
AlkenylChains=1
RetentionTimePostprocessing=true
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=false
Name=PChead_184		Formula=C5H15NO4P		Charge=1	MSLevel=2	mandatory=true
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>0.1*$BASEPEAK			mandatory=true
Equation=PChead_184*0.5>NL-triMeth			mandatory=true
Equation=PChead_184*0.2>NL-Na_wrong			mandatory=true
Equation=PChead_184*0.5>PChead_125			mandatory=true
Equation=PChead_184*0.2>PChead_104			mandatory=true
Equation=PChead_125+PChead_104+0*PChead_184>0*$BASEPEAK	mandatory=true


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

!INTENSITIES
Equation=NL_Carb_Alk*1.1>NL_Ketene		mandatory=true


[POSITION]
!INTENSITIES
Equation=NL_Carb_Alk[1]>0.1*NL_Ketene[2]+0*$BASEPEAK				mandatory=true

