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

[HEAD]
!FRAGMENTS
Name=PChead_104		Formula=C5H14NO			Charge=1	MSLevel=2	mandatory=false
Name=PChead_184		Formula=C5H15NO4P		Charge=1	MSLevel=2	mandatory=true
Name=NL_H2O		Formula=$PRECURSOR-H2O		Charge=1	MSLevel=2	mandatory=true

!INTENSITIES
Equation=PChead_104<0.2*$BASEPEAK		mandatory=false
Equation=(PChead_184+NL_H2O)>$BASEPEAK		mandatory=true
Equation=PChead_184>0.03*NL_H2O			mandatory=true


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