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

[HEAD]
!FRAGMENTS
Name=NL_PEhead_61	Formula=$PRECURSOR-C2H7NO	Charge=1	MSLevel=2	mandatory=false
Name=NL_PEhead_141	Formula=$PRECURSOR-C2H8NO4P	Charge=1	MSLevel=2	mandatory=other
Name=NL_PEhead_163	Formula=$PRECURSOR-C2H7NO4PNa	Charge=1	MSLevel=2	mandatory=false

!INTENSITIES
Equation=NL_PEhead_141<0.2*$BASEPEAK					mandatory=false
Equation=NL_PEhead_61+NL_PEhead_163+0*NL_PEhead_141>0*$BASEPEAK	mandatory=true



[CHAINS]
!FRAGMENTS
Name=NL_Ketene		Formula=$PRECURSOR-$CHAIN+H2O	Charge=1	MSLevel=2	mandatory=false