[GENERAL]
AmountOfChains=2
ChainLibrary=fattyAcidChains.xlsx
CAtomsFromName=\D*(\d+):\d+
DoubleBondsFromName=\D*\d+:(\d+)
BasePeakCutoff=0.01%
ChainCutoff=2%
RetentionTimePostprocessing=true
SpectrumCoverage=25%


[HEAD]
!FRAGMENTS
Name=PEhead_122		Formula=C2H5NO3P		Charge=1	MSLevel=2	mandatory=false
Name=PEhead_140		Formula=C2H7NO4P		Charge=1	MSLevel=2	mandatory=true
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=PChead_168_WRONG+PChead_224_WRONG+PChead_242_WRONG+PEhead_140*0<0.05*$BASEPEAK					mandatory=true
Equation=PEhead_140+PEhead_196+PEhead_214<0.6*$BASEPEAK									mandatory=true
Equation=PChead_168_WRONG+PChead_224_WRONG+PChead_242_WRONG+NL_PChead_60_WRONG<2*(PEhead_140+PEhead_196+PEhead_214)	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>NL_Ketene		mandatory=false
Equation=0.6*Carboxy>NL_Carboxy		mandatory=true
Equation=Carboxy>0.01*$BASEPEAK		mandatory=true


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