[GENERAL]
AmountOfChains=2
ChainLibrary=fattyAcidChains.xlsx
CAtomsFromName=\D*(\d+):\d+
DoubleBondsFromName=\D*\d+:(\d+)
BasePeakCutoff=0.1%
ChainCutoff=10%
SpectrumCoverage=10%
RetentionTimePostprocessing=true
IsobarSCExclusionRatio=0.1
IsobarSCFarExclusionRatio=0.3
IsobarRtDiff=1.5


[HEAD]
!FRAGMENTS
Name=Precursor		Formula=$PRECURSOR	Charge=1	MSLevel=2	mandatory=false
Name=PEhead_122		Formula=C2H5NO3P	Charge=1	MSLevel=2	mandatory=false
Name=PEhead_140		Formula=C2H7NO4P	Charge=1	MSLevel=2	mandatory=false
Name=PEhead_196		Formula=C5H11O5PN	Charge=1	MSLevel=2	mandatory=false
Name=PEhead_214		Formula=C5H13O6PN	Charge=1	MSLevel=2	mandatory=false
Name=PL153		Formula=C3H6O5P		Charge=1	MSLevel=2	mandatory=false
Name=PL171		Formula=C3H8O6P		Charge=1	MSLevel=2	mandatory=false
Name=PChead_168_WRONG	Formula=C4H11NO4P	Charge=1	MSLevel=2	mandatory=other
Name=PChead_224_WRONG	Formula=C7H15O5NP	Charge=1	MSLevel=2	mandatory=other
Name=PChead_242_WRONG	Formula=C7H17O6NP	Charge=1	MSLevel=2	mandatory=other


!INTENSITIES
Equation=PEhead_122+PEhead_140+PEhead_196+PEhead_214+Precursor*0>0*$BASEPEAK	mandatory=true
Equation=PChead_168_WRONG+PChead_224_WRONG+PChead_242_WRONG+0*Precursor<0.05*$BASEPEAK	mandatory=true


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

!INTENSITIES
Equation=Carboxy*0<NL_Ketene+NL_Carboxy	mandatory=true
Equation=Carboxy*0.9>NL_Ketene		mandatory=true
Equation=Carboxy*0.9>NL_Carboxy		mandatory=true


[POSITION]
!INTENSITIES
Equation=Carboxy[2]*0.7>Carboxy[1]					mandatory=false
Equation=NL_Ketene[2]*0.9+Carboxy[2]*0>NL_Ketene[1]+Carboxy[1]*0	mandatory=false