[GENERAL]
AmountOfChains=1
ChainLibrary=fattyAcidChains.xlsx
CAtomsFromName=\D*(\d+):\d+
DoubleBondsFromName=\D*\d+:(\d+)
BasePeakCutoff=0.01%
RetentionTimePostprocessing=true
SpectrumCoverage=5%


[HEAD]
!FRAGMENTS
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


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

!INTENSITIES
Equation=Carboxy>0.6*$BASEPEAK		mandatory=true
Equation=Carboxy*0.7>PChead_224		mandatory=true
Equation=Carboxy*0.7>PChead_242		mandatory=true