[GENERAL]
AmountOfChains=2
ChainLibrary=fattyAcidChains.xlsx
CAtomsFromName=\D*(\d+):\d+
DoubleBondsFromName=\D*\d+:(\d+)
BasePeakCutoff=0.5%
ChainCutoff=40%
SpectrumCoverage=10%
RetentionTimePostprocessing=true


[HEAD]
!FRAGMENTS
Name=Precursor			Formula=$PRECURSOR		Charge=1	MSLevel=2	mandatory=false
Name=PChead_184			Formula=C5H15NO4P		Charge=1	MSLevel=2	mandatory=true
Name=NL_PEhead_141_WRONG	Formula=$PRECURSOR-C2H8NO4P	Charge=1	MSLevel=2	mandatory=other
Name=NL_trimethylamine_59_WRONG	Formula=$PRECURSOR-C3H9N	Charge=1	MSLevel=2	mandatory=other
Name=NL_PChead_183_WRONG		Formula=$PRECURSOR-C5H14NO4P	Charge=1	MSLevel=2	mandatory=other
Name=PChead_125			Formula=C2H6O4P			Charge=1	MSLevel=2	mandatory=false
Name=PChead_104			Formula=C5H14NO			Charge=1	MSLevel=2	mandatory=false

!INTENSITIES
Equation=1.5*PChead_184>NL_PEhead_141_WRONG	mandatory=true
Equation=NL_PChead_183_WRONG<0.2*PChead_184	mandatory=true
Equation=PChead_184*0.5>NL_PChead_183_WRONG+NL_trimethylamine_59_WRONG	mandatory=true
Equation=PChead_184>0.6*Precursor mandatory=true
Equation=PChead_184>0.3*$BASEPEAK		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

!INTENSITIES
Equation=1.2*NL_Carboxy>NL_Ketene mandatory=true

[POSITION]
!INTENSITIES
Equation=NL_Ketene[2]*0.7+NL_Carboxy[2]*0>NL_Ketene[1]+NL_Carboxy[1]*0				mandatory=true
Equation=(NL_Ketene[2]+NL_Carboxy[2])*0.8>NL_Ketene[1]+NL_Carboxy[1]				mandatory=false
