[GENERAL]
AmountOfChains=1
ChainLibrary=fattyAcidChains.xlsx
CAtomsFromName=\D*(\d+):\d+
DoubleBondsFromName=\D*\d+:(\d+)
BasePeakCutoff=1%
RetentionTimePostprocessing=true
SpectrumCoverage=20%

[HEAD]
!FRAGMENTS
Name=NL_H2O		Formula=$PRECURSOR-H2O		Charge=1	MSLevel=2	mandatory=true
Name=NL_PEhead_61	Formula=$PRECURSOR-C2H7NO	Charge=1	MSLevel=2	mandatory=false
Name=NL_PEhead_141	Formula=$PRECURSOR-C2H8NO4P	Charge=1	MSLevel=2	mandatory=true
Name=NL_PGhead_172	Formula=$PRECURSOR-C3H9O6P	Charge=1	MSLevel=2	mandatory=false

!INTENSITIES
Equation=(NL_H2O+NL_PEhead_141)>0.5*$BASEPEAK	mandatory=true
Equation=NL_PEhead_61<0.25*$BASEPEAK		mandatory=true
Equation=NL_PGhead_172<0.25*$BASEPEAK		mandatory=true


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