[GENERAL]
AmountOfChains=2
ChainLibrary=fattyAcidChains.xlsx
CAtomsFromName=\D*(\d+):\d+
DoubleBondsFromName=\D*\d+:(\d+)
BasePeakCutoff=0.01%
ChainCutoff=15%
RetentionTimePostprocessing=true
SpectrumCoverage=10%
IsobarSCExclusionRatio=0.05
IsobarSCFarExclusionRatio=0.2
IsobarRtDiff=1.2


[HEAD]
!FRAGMENTS
Name=Precursor		Formula=$PRECURSOR	Charge=1	MSLevel=2	mandatory=other
Name=PEhead_140		Formula=C2H7NO4P	Charge=1	MSLevel=2	mandatory=false
Name=PEhead_196		Formula=C5H11O5PN	Charge=1	MSLevel=2	mandatory=false
Name=PEhead_214		Formula=C5H13O6PN	Charge=1	MSLevel=2	mandatory=false
Name=PChead_168_WRONG	Formula=C4H11NO4P	Charge=1	MSLevel=2	mandatory=other
Name=PChead_224_WRONG	Formula=C7H15O5NP	Charge=1	MSLevel=2	mandatory=other
Name=PChead_242_WRONG	Formula=C7H17O6NP	Charge=1	MSLevel=2	mandatory=other
Name=NL_PChead_60_WRONG	Formula=$PRECURSOR-C2O2H4	Charge=1	MSLevel=2	mandatory=other

!INTENSITIES
Equation=PEhead_140+PEhead_196+PEhead_214+0*Precursor>0*$BASEPEAK		mandatory=false
Equation=PEhead_140+PEhead_196+PEhead_214+Precursor<0.9*$BASEPEAK										mandatory=true
Equation=PChead_168_WRONG+PChead_224_WRONG+PChead_242_WRONG+NL_PChead_60_WRONG+0*Precursor<2*(PEhead_140+PEhead_196+PEhead_214+0.01*Precursor)	mandatory=true


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

!Intensities
Equation=0.6*Carboxy>NL_Carboxy		mandatory=false
Equation=Carboxy>0.01*$BASEPEAK		mandatory=true


[POSITION]
!INTENSITIES
Equation=(NL_Ketene[2]+NL_Carboxy[2])*0.4>NL_Ketene[1]+NL_Carboxy[1]			mandatory=true
Equation=Carboxy[2]*0.4>Carboxy[1]							mandatory=false
