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


[HEAD]
!FRAGMENTS
Name=PL153		Formula=C3H6O5P			Charge=1	MSLevel=2	mandatory=true
Name=PL171		Formula=C3H8O6P			Charge=1	MSLevel=2	mandatory=false
Name=NL_serine_87	Formula=$PRECURSOR-C3H5NO2	Charge=1	MSLevel=2	mandatory=true
Name=NL_serine_105	Formula=$PRECURSOR-C3H7NO3	Charge=1	MSLevel=2	mandatory=false
Name=Precursor		Formula=$PRECURSOR		Charge=1	MSLevel=2	mandatory=other

!INTENSITIES
Equation=NL_serine_87>0.4*$BASEPEAK	mandatory=true
Equation=PL153*0.6>PL171		mandatory=true
Equation=PL153>Precursor		mandatory=true


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


