[GENERAL]
AmountOfChains=2
ChainLibrary=fattyAcidChains.xlsx
CAtomsFromName=\D*(\d+):\d+
DoubleBondsFromName=\D*\d+:(\d+)
BasePeakCutoff=0.1%
SpectrumCoverage=30%
RetentionTimePostprocessing=false


[HEAD]
!FRAGMENTS
Name=Precursor			Formula=$PRECURSOR		Charge=1	MSLevel=2	mandatory=true
Name=PL153			Formula=C3H6O5P			Charge=1	MSLevel=2	mandatory=false
Name=PL171			Formula=C3H8O6P			Charge=1	MSLevel=2	mandatory=false
Name=Diglycerolphosphate_227	Formula=C6H12O7P		Charge=1	MSLevel=2	mandatory=false
Name=Diglycerolphosphate_209	Formula=C6H10O6P		Charge=1	MSLevel=2	mandatory=false
Name=NL_glycerol		Formula=$PRECURSOR-C3H6O2	Charge=1	MSLevel=2	mandatory=false
Name=NL_PChead_60_WRONG		Formula=$PRECURSOR-C2O2H4	Charge=1	MSLevel=2	mandatory=other

!INTENSITIES
Equation=NL_PChead_60_WRONG<0.5*Precursor	mandatory=true
Equation=PL153+PL171+Diglycerolphosphate_227+Diglycerolphosphate_209+NL_glycerol+0*Precursor>0.002*Precursor	mandatory=true
Equation=PL153<0.4*Precursor			mandatory=true
Equation=PL171<0.4*Precursor			mandatory=true
Equation=Diglycerolphosphate_227<0.4*Precursor	mandatory=true
Equation=Diglycerolphosphate_209<0.4*Precursor	mandatory=true
Equation=NL_glycerol<0.4*Precursor		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
Name=NL_Carboxy_Head	Formula=NL_Carboxy-C3H6O2	Charge=1	MSLevel=2	mandatory=false
Name=NL_Ketene_Head	Formula=NL_Ketene-C3H6O2	Charge=1	MSLevel=2	mandatory=false

!INTENSITIES
Equation=Carboxy>0.05*Precursor		mandatory=true


[POSITION]
!INTENSITIES
Equation=Carboxy[2]>Carboxy[1]			mandatory=true
Equation=NL_Carboxy[2]*0.7>NL_Carboxy[1]	mandatory=false
Equation=NL_Ketene[2]*0.7>NL_Ketene[1]		mandatory=false

