[GENERAL]
AmountOfChains=1
ChainLibrary=fattyAcidChains.xlsx
CAtomsFromName=\D*(\d+):\d+
DoubleBondsFromName=\D*\d+:(\d+)
BasePeakCutoff=0.01%
SpectrumCoverage=10%
RetentionTimePostprocessing=true


[HEAD]
!FRAGMENTS
Name=Precursor		Formula=$PRECURSOR	Charge=1	MSLevel=2	mandatory=false
Name=PChead_168		Formula=C4H11NO4P	Charge=1	MSLevel=2	mandatory=false
Name=PChead_224		Formula=C7H15O5NP	Charge=1	MSLevel=2	mandatory=false
Name=PChead_242		Formula=C7H17O6NP	Charge=1	MSLevel=2	mandatory=false
Name=PL171		Formula=C3H8O6P		Charge=1	MSLevel=2	mandatory=false
Name=PL153		Formula=C3H6O5P		Charge=1	MSLevel=2	mandatory=false

!INTENSITIES
Equation=PChead_224+PChead_242+PChead_168+0*PL171+0*PL153+0*Precursor>0*PL171+0*PL153+0*Precursor	mandatory=true
Equation=(PChead_168+PChead_224+PChead_242+Precursor*0)*1.5>PL171+PL153+Precursor*0			mandatory=true
Equation=PL153<0.5*$BASEPEAK										mandatory=true


[CHAINS]
!FRAGMENTS
Name=Carboxy		Formula=$CHAIN-H	Charge=1	MSLevel=2	mandatory=true

!INTENSITIES
Equation=0*Carboxy+PChead_224+PChead_242+PChead_168>0*Carboxy	mandatory=true